=> Building science/nwchem Started : Tuesday, 23 JUL 2019 at 19:37:40 UTC Platform: 5.7-DEVELOPMENT DragonFly v5.7.0.83.g49866-DEVELOPMENT #40: Sun Jun 30 03:00:04 PDT 2019 root@pkgbox64.dragonflybsd.org:/usr/obj/usr/src/sys/X86_64_GENERIC x86_64 -------------------------------------------------- -- Environment -------------------------------------------------- UNAME_r=5.6-SYNTH UNAME_m=x86_64 UNAME_p=x86_64 UNAME_v=DragonFly 5.6-SYNTH UNAME_s=DragonFly PATH=/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin SSL_NO_VERIFY_PEER=1 TERM=dumb PKG_CACHEDIR=/var/cache/pkg8 PKG_DBDIR=/var/db/pkg8 PORTSDIR=/xports LANG=C HOME=/root USER=root -------------------------------------------------- -- Options -------------------------------------------------- -------------------------------------------------- -- CONFIGURE_ENV -------------------------------------------------- F77="gfortran8" FC="gfortran8" FFLAGS="-O -Wl,-rpath=/usr/local/lib/gcc8" FCFLAGS="-Wl,-rpath=/usr/local/lib/gcc8" MAKE=gmake ac_cv_path_PERL=/usr/local/bin/perl ac_cv_path_PERL_PATH=/usr/local/bin/perl PERL_USE_UNSAFE_INC=1 XDG_DATA_HOME=/construction/science/nwchem XDG_CONFIG_HOME=/construction/science/nwchem HOME=/construction/science/nwchem TMPDIR="/tmp" PATH=/construction/science/nwchem/.bin:/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin SHELL=/bin/sh CONFIG_SHELL=/bin/sh CCVER=gcc80 -------------------------------------------------- -- CONFIGURE_ARGS -------------------------------------------------- -------------------------------------------------- -- MAKE_ENV -------------------------------------------------- NWCHEM_TOP=/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/.. NWCHEM_MODULES=all NWCHEM_LONG_PATHS=Y NWCHEM_TARGET=LINUX64 USE_MPI=Y USE_INTERNALBLAS=Y EXTERNAL_GA_PATH=/usr/local BLAS_SIZE=4 USE_64TO32=y F77="gfortran8" FC="gfortran8" FFLAGS="-O -Wl,-rpath=/usr/local/lib/gcc8" FCFLAGS="-Wl,-rpath=/usr/local/lib/gcc8" PERL_USE_UNSAFE_INC=1 XDG_DATA_HOME=/construction/science/nwchem XDG_CONFIG_HOME=/construction/science/nwchem HOME=/construction/science/nwchem TMPDIR="/tmp" PATH=/construction/science/nwchem/.bin:/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin NO_PIE=yes MK_DEBUG_FILES=no MK_KERNEL_SYMBOLS=no SHELL=/bin/sh NO_LINT=YES CCVER=gcc80 ADDR2LINE="/usr/local/bin/addr2line" AR="/usr/local/bin/ar" AS="/usr/local/bin/as" CPPFILT="/usr/local/bin/c++filt" GPROF="/usr/local/bin/gprof" LD="/usr/local/bin/ld" NM="/usr/local/bin/nm" OBJCOPY="/usr/local/bin/objcopy" OBJDUMP="/usr/local/bin/objdump" RANLIB="/usr/local/bin/ranlib" READELF="/usr/local/bin/readelf" SIZE="/usr/local/bin/size" STRINGS="/usr/local/bin/strings" PREFIX=/usr/local LOCALBASE=/usr/local NOPROFILE=1 CC="cc" CFLAGS="-pipe -O2 -fno-strict-aliasing " CPP="cpp" CPPFLAGS="" LDFLAGS=" -Wl,-rpath=/usr/local/lib/gcc8 -L/usr/local/lib/gcc8 -B/usr/local/bin " LIBS="" CXX="c++" CXXFLAGS=" -pipe -O2 -fno-strict-aliasing " MANPREFIX="/usr/local" BSD_INSTALL_PROGRAM="install -s -m 555" BSD_INSTALL_LIB="install -s -m 0644" BSD_INSTALL_SCRIPT="install -m 555" BSD_INSTALL_DATA="install -m 0644" BSD_INSTALL_MAN="install -m 444" -------------------------------------------------- -- MAKE_ARGS -------------------------------------------------- DESTDIR=/construction/science/nwchem/stage -------------------------------------------------- -- PLIST_SUB -------------------------------------------------- OSREL=5.6 PREFIX=%D LOCALBASE=/usr/local RESETPREFIX=/usr/local LIB32DIR=lib PERL_VERSION=5.28.2 PERL_VER=5.28 PERL5_MAN1=lib/perl5/site_perl/man/man1 PERL5_MAN3=lib/perl5/site_perl/man/man3 SITE_PERL=lib/perl5/site_perl SITE_ARCH=lib/perl5/site_perl/mach/5.28 PROFILE="@comment " DOCSDIR="share/doc/nwchem" EXAMPLESDIR="share/examples/nwchem" DATADIR="share/nwchem" WWWDIR="www/nwchem" ETCDIR="etc/nwchem" -------------------------------------------------- -- SUB_LIST -------------------------------------------------- PREFIX=/usr/local LOCALBASE=/usr/local DATADIR=/usr/local/share/nwchem DOCSDIR=/usr/local/share/doc/nwchem EXAMPLESDIR=/usr/local/share/examples/nwchem WWWDIR=/usr/local/www/nwchem ETCDIR=/usr/local/etc/nwchem -------------------------------------------------- -- /etc/make.conf -------------------------------------------------- SYNTHPROFILE=Release-5.6 USE_PACKAGE_DEPENDS_ONLY=yes PACKAGE_BUILDING=yes BATCH=yes PKG_CREATE_VERBOSE=yes PORTSDIR=/xports DISTDIR=/distfiles WRKDIRPREFIX=/construction PORT_DBDIR=/options PACKAGES=/packages MAKE_JOBS_NUMBER_LIMIT=5 LICENSES_ACCEPTED= NONE HAVE_COMPAT_IA32_KERN= CONFIGURE_MAX_CMD_LEN=262144 _PERL5_FROM_BIN=5.28.1 _ALTCCVERSION_921dbbb2=none _OBJC_ALTCCVERSION_921dbbb2=none _SMP_CPUS=8 UID=0 ARCH=x86_64 OPSYS=DragonFly DFLYVERSION=500601 OSVERSION=9999999 OSREL=5.6 _OSRELEASE=5.6-SYNTH PYTHONBASE=/usr/local _PKG_CHECKED=1 -------------------------------------------------------------------------------- -- Phase: check-sanity -------------------------------------------------------------------------------- ===> License ECL20 accepted by the user -------------------------------------------------------------------------------- -- Phase: pkg-depends -------------------------------------------------------------------------------- ===> nwchem-6.8.1.20190606 depends on file: /usr/local/sbin/pkg - not found ===> Installing existing package /packages/All/pkg-1.11.1.txz Installing pkg-1.11.1... Extracting pkg-1.11.1: .......... done ===> nwchem-6.8.1.20190606 depends on file: /usr/local/sbin/pkg - found ===> Returning to build of nwchem-6.8.1.20190606 -------------------------------------------------------------------------------- -- Phase: fetch-depends -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- -- Phase: fetch -------------------------------------------------------------------------------- ===> License ECL20 accepted by the user ===> Fetching all distfiles required by nwchem-6.8.1.20190606 for building -------------------------------------------------------------------------------- -- Phase: checksum -------------------------------------------------------------------------------- ===> License ECL20 accepted by the user ===> Fetching all distfiles required by nwchem-6.8.1.20190606 for building => SHA256 Checksum OK for nwchemgit-nwchem-6.8.1.20190606-master-oct22_2018-262-gbe00273ff_GH0.tar.gz. -------------------------------------------------------------------------------- -- Phase: extract-depends -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- -- Phase: extract -------------------------------------------------------------------------------- ===> License ECL20 accepted by the user ===> Fetching all distfiles required by nwchem-6.8.1.20190606 for building ===> Extracting for nwchem-6.8.1.20190606 ===> License ECL20 accepted by the user ===> Fetching all distfiles required by nwchem-6.8.1.20190606 for building => SHA256 Checksum OK for nwchemgit-nwchem-6.8.1.20190606-master-oct22_2018-262-gbe00273ff_GH0.tar.gz. -------------------------------------------------------------------------------- -- Phase: patch-depends -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- -- Phase: patch -------------------------------------------------------------------------------- ===> Patching for nwchem-6.8.1.20190606 ===> Applying ports patches for nwchem-6.8.1.20190606 /usr/bin/sed -i.bak -e 's|\-i8|\-fdefault-integer-8|' -e 's|\-i4||' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/simint.txt /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/config/makefile.h /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/config/makefile-legacy.h /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/DEFS.release /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../contrib/openmp_tests/dgemm/GNUmakefile /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../contrib/mov2asc/Makefile -------------------------------------------------------------------------------- -- Phase: build-depends -------------------------------------------------------------------------------- ===> nwchem-6.8.1.20190606 depends on executable: bash - not found ===> Installing existing package /packages/All/bash-5.0.7.txz Installing bash-5.0.7... `-- Installing gettext-runtime-0.20.1... | `-- Installing indexinfo-0.3.1... | `-- Extracting indexinfo-0.3.1: .... done `-- Extracting gettext-runtime-0.20.1: .......... done `-- Installing ncurses-6.1.20190525... `-- Extracting ncurses-6.1.20190525: .......... done Extracting bash-5.0.7: .......... done ===> nwchem-6.8.1.20190606 depends on executable: bash - found ===> Returning to build of nwchem-6.8.1.20190606 ===> nwchem-6.8.1.20190606 depends on executable: gfortran8 - not found ===> Installing existing package /packages/All/gcc8-8.3.0_2.txz Installing gcc8-8.3.0_2... `-- Installing binutils-2.32_1,1... `-- Extracting binutils-2.32_1,1: .......... done `-- Installing gmp-6.1.2_1... `-- Extracting gmp-6.1.2_1: .......... done `-- Installing mpc-1.1.0_2... | `-- Installing mpfr-4.0.2... | `-- Extracting mpfr-4.0.2: .......... done `-- Extracting mpc-1.1.0_2: ......... done Extracting gcc8-8.3.0_2: .......... done Message from gcc8-8.3.0_2: To ensure binaries built with this toolchain find appropriate versions of the necessary run-time libraries, you may want to link using -Wl,-rpath=/usr/local/lib/gcc8 For ports leveraging USE_GCC, USES=compiler, or USES=fortran this happens transparently. ===> nwchem-6.8.1.20190606 depends on executable: gfortran8 - found ===> Returning to build of nwchem-6.8.1.20190606 ===> nwchem-6.8.1.20190606 depends on executable: gmake - not found ===> Installing existing package /packages/All/gmake-4.2.1_3.txz Installing gmake-4.2.1_3... Extracting gmake-4.2.1_3: .......... done ===> nwchem-6.8.1.20190606 depends on executable: gmake - found ===> Returning to build of nwchem-6.8.1.20190606 ===> nwchem-6.8.1.20190606 depends on file: /usr/local/bin/as - found ===> nwchem-6.8.1.20190606 depends on package: perl5>=5.28.r1<5.29 - not found ===> Installing existing package /packages/All/perl5-5.28.2.txz Installing perl5-5.28.2... Extracting perl5-5.28.2: .......... done Message from perl5-5.28.2: The /usr/bin/perl symlink has been removed starting with Perl 5.20. For shebangs, you should either use: #!/usr/local/bin/perl or #!/usr/bin/env perl The first one will only work if you have a /usr/local/bin/perl, the second will work as long as perl is in PATH. ===> nwchem-6.8.1.20190606 depends on package: perl5>=5.28.r1<5.29 - found ===> Returning to build of nwchem-6.8.1.20190606 -------------------------------------------------------------------------------- -- Phase: lib-depends -------------------------------------------------------------------------------- ===> nwchem-6.8.1.20190606 depends on shared library: libblas.so - not found ===> Installing existing package /packages/All/blas-3.5.0_5.txz Installing blas-3.5.0_5... Extracting blas-3.5.0_5: ....... done ===> nwchem-6.8.1.20190606 depends on shared library: libblas.so - found (/usr/local/lib/libblas.so) ===> Returning to build of nwchem-6.8.1.20190606 ===> nwchem-6.8.1.20190606 depends on shared library: libga.so - not found ===> Installing existing package /packages/All/ga-5.7_5.txz Installing ga-5.7_5... `-- Installing lapack-3.5.0_7... `-- Extracting lapack-3.5.0_7: .......... done `-- Installing mpich-3.2.1_4... | `-- Installing hwloc-1.11.11... | | `-- Installing libpciaccess-0.14... | | `-- Installing pciids-20190620... | | `-- Extracting pciids-20190620: ..... done | | `-- Extracting libpciaccess-0.14: ......... done | | `-- Installing libxml2-2.9.9... | | `-- Extracting libxml2-2.9.9: .......... done | `-- Extracting hwloc-1.11.11: .......... done `-- Extracting mpich-3.2.1_4: .......... done Extracting ga-5.7_5: .......... done Message from mpich-3.2.1_4: ===> NOTICE: The mpich port currently does not have a maintainer. As a result, it is more likely to have unresolved issues, not be up-to-date, or even be removed in the future. To volunteer to maintain this port, please create an issue at: https://bugs.freebsd.org/bugzilla More information about port maintainership is available at: https://www.freebsd.org/doc/en/articles/contributing/ports-contributing.html#maintain-port ===> nwchem-6.8.1.20190606 depends on shared library: libga.so - found (/usr/local/lib/libga.so) ===> Returning to build of nwchem-6.8.1.20190606 ===> nwchem-6.8.1.20190606 depends on shared library: libmpich.so - found (/usr/local/lib/libmpich.so) -------------------------------------------------------------------------------- -- Phase: configure -------------------------------------------------------------------------------- ===> Configuring for nwchem-6.8.1.20190606 -------------------------------------------------------------------------------- -- Phase: build -------------------------------------------------------------------------------- ===> Building for nwchem-6.8.1.20190606 gmake[2]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src' gmake -C config -f make_nwchem_config NWCHEM_MODULES="all" gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad python argos diana uccsdt rism geninterface smd nbo leps lucia rdmft" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lpfft -lgradients -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad python argos diana uccsdt rism geninterface smd nbo leps lucia rdmft >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c python_input raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_python task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c python_input raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_python task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/config' gmake -C config -f make_nwchem_config NWCHEM_MODULES="all" gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad python argos diana uccsdt rism geninterface smd nbo leps lucia rdmft" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lpfft -lgradients -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad python argos diana uccsdt rism geninterface smd nbo leps lucia rdmft >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c python_input raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_python task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c python_input raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_python task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fft gradients hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/config' gmake[2]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src' gmake[2]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src' test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64 || mkdir -p /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64 test -d /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64 || mkdir -p /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64 ./util/util_nwchem_version.bash gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src' rm -f 32_to_64 gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src' for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons blas lapack NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm 64to32blas; do \ gmake -C $dir 64_to_32 || exit 1 ; \ done gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/include' Nothing to be done gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/include' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/basis' ( cd /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config; gmake /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x ; ) gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/config' gcc -g -o /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x depend.c /bin/rm -f depend.o gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/config' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 bas_blas.F bas_blasP.F basis.F converting bas_blas.F to 32-bit integers for BLAS/LAPACK converting bas_blasP.F to 32-bit integers for BLAS/LAPACK converting basis.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/basis' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/geom' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 geom.F geom_input.F geom_print_ecce.F geom_hnd.F geom_3d.F geom_getsym.F geom_2d.F converting geom.F to 32-bit integers for BLAS/LAPACK converting geom_input.F to 32-bit integers for BLAS/LAPACK converting geom_print_ecce.F to 32-bit integers for BLAS/LAPACK converting geom_hnd.F to 32-bit integers for BLAS/LAPACK converting geom_3d.F to 32-bit integers for BLAS/LAPACK converting geom_getsym.F to 32-bit integers for BLAS/LAPACK converting geom_2d.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/geom' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/inp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/inp' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/input' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/input' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/pstat' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/pstat' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in hdbm gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb/hdbm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb/hdbm' 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/task' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 task_num_grad.F task_bsse.F converting task_num_grad.F to 32-bit integers for BLAS/LAPACK converting task_bsse.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/task' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/symmetry' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 sym_bs_irrep.F sym_g_sym.F sym_geom_prj.F sym_mo_adapt.F sym_op_clsfy.F sym_op_mtab.F sym_put_geom.F dosymops.F sym_abelian.F sym_bs_ir_id.F converting sym_bs_irrep.F to 32-bit integers for BLAS/LAPACK converting sym_g_sym.F to 32-bit integers for BLAS/LAPACK converting sym_geom_prj.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy.F to 32-bit integers for BLAS/LAPACK converting sym_op_mtab.F to 32-bit integers for BLAS/LAPACK converting sym_put_geom.F to 32-bit integers for BLAS/LAPACK converting dosymops.F to 32-bit integers for BLAS/LAPACK converting sym_abelian.F to 32-bit integers for BLAS/LAPACK converting sym_bs_ir_id.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/symmetry' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 util.fh ga_it_lsolve.F ga_maxelt.F ga_mix.F ga_iter_diag.F ga_orthog.F dabsmax.F ga_normf.F corr_mk_ref.F ga_it2.F ga_lkain_ext.F util_file_name.F dgefa.f util_patch_test.F stpr_sjacobi.F util_dgeev.F util_test_cholesky.F dfill.F ga_lkain_2cpl3_ext.F ga_it2.F util_poltensor.F converting util.fh to 32-bit integers for BLAS/LAPACK converting ga_it_lsolve.F to 32-bit integers for BLAS/LAPACK converting ga_maxelt.F to 32-bit integers for BLAS/LAPACK converting ga_mix.F to 32-bit integers for BLAS/LAPACK converting ga_iter_diag.F to 32-bit integers for BLAS/LAPACK converting ga_orthog.F to 32-bit integers for BLAS/LAPACK converting dabsmax.F to 32-bit integers for BLAS/LAPACK converting ga_normf.F to 32-bit integers for BLAS/LAPACK converting corr_mk_ref.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_ext.F to 32-bit integers for BLAS/LAPACK converting util_file_name.F to 32-bit integers for BLAS/LAPACK converting dgefa.f to 32-bit integers for BLAS/LAPACK converting util_patch_test.F to 32-bit integers for BLAS/LAPACK converting stpr_sjacobi.F to 32-bit integers for BLAS/LAPACK converting util_dgeev.F to 32-bit integers for BLAS/LAPACK converting util_test_cholesky.F to 32-bit integers for BLAS/LAPACK converting dfill.F to 32-bit integers for BLAS/LAPACK converting ga_lkain_2cpl3_ext.F to 32-bit integers for BLAS/LAPACK converting ga_it2.F to 32-bit integers for BLAS/LAPACK converting util_poltensor.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in md5 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util/md5' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util/md5' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs' (cd ./src/c; gmake 64_to_32) gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/src/c' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 "*c *f *F" converting *c *f *F to 32-bit integers for BLAS/LAPACK Could not open file: *c.87861 gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/src/c' (cd ./src/f77; gmake 64_to_32) gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/src/f77' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 types.f inverm.F \ dgetavec.F dgetavec2.f dgetavec3.f dgetavec4.F \ dptsvx2.f dspevx2.F converting types.f to 32-bit integers for BLAS/LAPACK converting inverm.F to 32-bit integers for BLAS/LAPACK converting dgetavec.F to 32-bit integers for BLAS/LAPACK converting dgetavec2.f to 32-bit integers for BLAS/LAPACK converting dgetavec3.f to 32-bit integers for BLAS/LAPACK converting dgetavec4.F to 32-bit integers for BLAS/LAPACK converting dptsvx2.f to 32-bit integers for BLAS/LAPACK converting dspevx2.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/src/f77' (cd ./comm; gmake 64_to_32) gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/comm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 "*c *f *F" converting *c *f *F to 32-bit integers for BLAS/LAPACK Could not open file: *c.95118 gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/comm' (cd ./ctof; gmake 64_to_32) gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/ctof' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 "*c *f *F" converting *c *f *F to 32-bit integers for BLAS/LAPACK Could not open file: *c.97096 gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/ctof' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/blas' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/blas' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/lapack' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/lapack' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in api gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/api' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 int_1e3ov.F int_hf1sp.F int_lgen1e.F intb_2e4c.F intbd_2e4c.F intd_1e3ov.F intd_1eh1.F intd_2e2c.F intd_2e4c.F intd_mpolel.F intp_txyz.F intpd_mpolel.F intbdd_2e4c.F int_2e4c.F intdd_2e2c.F intdd_2e3c.F intd_2e3c.F intdd_2e4c.F intd_1epot.F intd_1epot_cosmo.F intpd_1eov.F intpd_2e3c.F intpd_1eke.F intpd_2e2c.F intpd_2e3ct.F converting int_1e3ov.F to 32-bit integers for BLAS/LAPACK converting int_hf1sp.F to 32-bit integers for BLAS/LAPACK converting int_lgen1e.F to 32-bit integers for BLAS/LAPACK converting intb_2e4c.F to 32-bit integers for BLAS/LAPACK converting intbd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1e3ov.F to 32-bit integers for BLAS/LAPACK converting intd_1eh1.F to 32-bit integers for BLAS/LAPACK converting intd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intp_txyz.F to 32-bit integers for BLAS/LAPACK converting intpd_mpolel.F to 32-bit integers for BLAS/LAPACK converting intbdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting int_2e4c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intdd_2e4c.F to 32-bit integers for BLAS/LAPACK converting intd_1epot.F to 32-bit integers for BLAS/LAPACK converting intd_1epot_cosmo.F to 32-bit integers for BLAS/LAPACK converting intpd_1eov.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3c.F to 32-bit integers for BLAS/LAPACK converting intpd_1eke.F to 32-bit integers for BLAS/LAPACK converting intpd_2e2c.F to 32-bit integers for BLAS/LAPACK converting intpd_2e3ct.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/api' Making 64_to_32 in int gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/int' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 hf2oi.f hfkei.f hfnai.f hfnai_er.F hf2.F igamma.F hferi.F hf1.F hf1mke3.f converting hf2oi.f to 32-bit integers for BLAS/LAPACK converting hfkei.f to 32-bit integers for BLAS/LAPACK converting hfnai.f to 32-bit integers for BLAS/LAPACK converting hfnai_er.F to 32-bit integers for BLAS/LAPACK converting hf2.F to 32-bit integers for BLAS/LAPACK converting igamma.F to 32-bit integers for BLAS/LAPACK converting hferi.F to 32-bit integers for BLAS/LAPACK converting hf1.F to 32-bit integers for BLAS/LAPACK converting hf1mke3.f to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/int' Making 64_to_32 in auxil gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/auxil' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 int_spcart.F spherical.F xlm_norm.F xlmcoeff.F int_norm_2c.F int_spcart2.F converting int_spcart.F to 32-bit integers for BLAS/LAPACK converting spherical.F to 32-bit integers for BLAS/LAPACK converting xlm_norm.F to 32-bit integers for BLAS/LAPACK converting xlmcoeff.F to 32-bit integers for BLAS/LAPACK converting int_norm_2c.F to 32-bit integers for BLAS/LAPACK converting int_spcart2.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/auxil' Making 64_to_32 in ints_sp gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ints_sp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 sp1111.F converting sp1111.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ints_sp' Making 64_to_32 in deriv gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/deriv' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 hf1PRtoAB.f hf1d.F hf2PRtoAB.f hf2QStoCD.f hf2d.F hf2d_2a.F hf2d_2a2b.F hf2d_2b.F hf2d_3a.F hf2d_3a2b.F hfd3oi.F hf2d_all.F hfderi.F hf1d_cosmo.F converting hf1PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf1d.F to 32-bit integers for BLAS/LAPACK converting hf2PRtoAB.f to 32-bit integers for BLAS/LAPACK converting hf2QStoCD.f to 32-bit integers for BLAS/LAPACK converting hf2d.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a.F to 32-bit integers for BLAS/LAPACK converting hf2d_2a2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_2b.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a.F to 32-bit integers for BLAS/LAPACK converting hf2d_3a2b.F to 32-bit integers for BLAS/LAPACK converting hfd3oi.F to 32-bit integers for BLAS/LAPACK converting hf2d_all.F to 32-bit integers for BLAS/LAPACK converting hfderi.F to 32-bit integers for BLAS/LAPACK converting hf1d_cosmo.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/deriv' Making 64_to_32 in texas gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/texas' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 amshift.F big_service.F trobsa.F getmem.F converting amshift.F to 32-bit integers for BLAS/LAPACK converting big_service.F to 32-bit integers for BLAS/LAPACK converting trobsa.F to 32-bit integers for BLAS/LAPACK converting getmem.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/texas' Making 64_to_32 in ecp gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ecp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ecp_bess_pow.f ecp_cart_xpd.F ecp_cstrans.F ecp_grad_a.F ecp_grad_b.F ecp_gradient.F ecp_hessian.F ecp_int0.F ecp_int1.F ecp_int2.F ecp_integral.F ecp_local0.F ecp_local1.F ecp_local2.F ecp_locint1.F ecp_radint0.F ecp_radint1.F ecp_radint2.F ecp_s2ccoef.f ecp_so_ang.F ecp_t1_Q0asy.F ecp_t1_Q3asy.F ecp_t1_Q0pow.F ecp_t1_Q1pow.F ecp_t1_Q3pow.F ecp_t2_p0pow.F ecp_t2_p1pow.F ecp_t2_p3pow.F ecp_t2_p4pow.F ecp_skipint.F int_ecp.F converting ecp_bess_pow.f to 32-bit integers for BLAS/LAPACK converting ecp_cart_xpd.F to 32-bit integers for BLAS/LAPACK converting ecp_cstrans.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_a.F to 32-bit integers for BLAS/LAPACK converting ecp_grad_b.F to 32-bit integers for BLAS/LAPACK converting ecp_gradient.F to 32-bit integers for BLAS/LAPACK converting ecp_hessian.F to 32-bit integers for BLAS/LAPACK converting ecp_int0.F to 32-bit integers for BLAS/LAPACK converting ecp_int1.F to 32-bit integers for BLAS/LAPACK converting ecp_int2.F to 32-bit integers for BLAS/LAPACK converting ecp_integral.F to 32-bit integers for BLAS/LAPACK converting ecp_local0.F to 32-bit integers for BLAS/LAPACK converting ecp_local1.F to 32-bit integers for BLAS/LAPACK converting ecp_local2.F to 32-bit integers for BLAS/LAPACK converting ecp_locint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint0.F to 32-bit integers for BLAS/LAPACK converting ecp_radint1.F to 32-bit integers for BLAS/LAPACK converting ecp_radint2.F to 32-bit integers for BLAS/LAPACK converting ecp_s2ccoef.f to 32-bit integers for BLAS/LAPACK converting ecp_so_ang.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3asy.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t1_Q3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p0pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p1pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p3pow.F to 32-bit integers for BLAS/LAPACK converting ecp_t2_p4pow.F to 32-bit integers for BLAS/LAPACK converting ecp_skipint.F to 32-bit integers for BLAS/LAPACK converting int_ecp.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ecp' Making 64_to_32 in hondo gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/hondo' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 hnd_stvint.F hnd_stvintd.F hnd_stvintdd.F hnd_elfder.F hnd_pso.F hnd_dso.F hnd_giaoh11.F hnd_giaoh01.F hnd_giaotv10.F hnd_giaobq10.F hnd_giaol10.F hnd_giaos10.F hnd_giaos100.F hnd_vstat.F hnd_veloc.F hnd_dipder.F hnd_angmom.F hnd_dipvel.F hnd_giahnd.F converting hnd_stvint.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintd.F to 32-bit integers for BLAS/LAPACK converting hnd_stvintdd.F to 32-bit integers for BLAS/LAPACK converting hnd_elfder.F to 32-bit integers for BLAS/LAPACK converting hnd_pso.F to 32-bit integers for BLAS/LAPACK converting hnd_dso.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh11.F to 32-bit integers for BLAS/LAPACK converting hnd_giaoh01.F to 32-bit integers for BLAS/LAPACK converting hnd_giaotv10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaobq10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaol10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos10.F to 32-bit integers for BLAS/LAPACK converting hnd_giaos100.F to 32-bit integers for BLAS/LAPACK converting hnd_vstat.F to 32-bit integers for BLAS/LAPACK converting hnd_veloc.F to 32-bit integers for BLAS/LAPACK converting hnd_dipder.F to 32-bit integers for BLAS/LAPACK converting hnd_angmom.F to 32-bit integers for BLAS/LAPACK converting hnd_dipvel.F to 32-bit integers for BLAS/LAPACK converting hnd_giahnd.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/hondo' Making 64_to_32 in rel gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/rel' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 rel_onel.F rel_oneld.F rel_mpole.F rel_2e4c_sf.F rel_LLSS.F rel_SSLL.F rel_SSSS.F rel_2e4cd_sf.F rel_LLSSd.F rel_SSLLd.F rel_SSSSd.F rel_pot.F rel_oneld_cosmo.F rel_pot2.F converting rel_onel.F to 32-bit integers for BLAS/LAPACK converting rel_oneld.F to 32-bit integers for BLAS/LAPACK converting rel_mpole.F to 32-bit integers for BLAS/LAPACK converting rel_2e4c_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSS.F to 32-bit integers for BLAS/LAPACK converting rel_SSLL.F to 32-bit integers for BLAS/LAPACK converting rel_SSSS.F to 32-bit integers for BLAS/LAPACK converting rel_2e4cd_sf.F to 32-bit integers for BLAS/LAPACK converting rel_LLSSd.F to 32-bit integers for BLAS/LAPACK converting rel_SSLLd.F to 32-bit integers for BLAS/LAPACK converting rel_SSSSd.F to 32-bit integers for BLAS/LAPACK converting rel_pot.F to 32-bit integers for BLAS/LAPACK converting rel_oneld_cosmo.F to 32-bit integers for BLAS/LAPACK converting rel_pot2.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/rel' Making 64_to_32 in dk gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/dk' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 int_1edk_ga.F int_1edkso_ga.F converting int_1edk_ga.F to 32-bit integers for BLAS/LAPACK converting int_1edkso_ga.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/dk' Making 64_to_32 in simint gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in module gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/module' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/module' Making 64_to_32 in source gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/source' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/source' 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint' 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/atomscf' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 atomd.F atscf_atscf.F atscf_ecp.F converting atomd.F to 32-bit integers for BLAS/LAPACK converting atscf_atscf.F to 32-bit integers for BLAS/LAPACK converting atscf_ecp.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/atomscf' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ao_fock_2e.F ao_replicated.F fock_2e_file.F fock_2e_slab.F int2e_file.F movecs_lock.F movecs_phase.F riscf_fock.F riscf_trans.F rohf_diis.F rohf_k2cf.F scf_movecs.F scf_vec_guess.F uhf.F movecs_frag.F localize.F fock_2e.F fock_2e_cam.F int_1e_ga.F movecs_rotate.F vectors.F ga_get2eri.F converting ao_fock_2e.F to 32-bit integers for BLAS/LAPACK converting ao_replicated.F to 32-bit integers for BLAS/LAPACK converting fock_2e_file.F to 32-bit integers for BLAS/LAPACK converting fock_2e_slab.F to 32-bit integers for BLAS/LAPACK converting int2e_file.F to 32-bit integers for BLAS/LAPACK converting movecs_lock.F to 32-bit integers for BLAS/LAPACK converting movecs_phase.F to 32-bit integers for BLAS/LAPACK converting riscf_fock.F to 32-bit integers for BLAS/LAPACK converting riscf_trans.F to 32-bit integers for BLAS/LAPACK converting rohf_diis.F to 32-bit integers for BLAS/LAPACK converting rohf_k2cf.F to 32-bit integers for BLAS/LAPACK converting scf_movecs.F to 32-bit integers for BLAS/LAPACK converting scf_vec_guess.F to 32-bit integers for BLAS/LAPACK converting uhf.F to 32-bit integers for BLAS/LAPACK converting movecs_frag.F to 32-bit integers for BLAS/LAPACK converting localize.F to 32-bit integers for BLAS/LAPACK converting fock_2e.F to 32-bit integers for BLAS/LAPACK converting fock_2e_cam.F to 32-bit integers for BLAS/LAPACK converting int_1e_ga.F to 32-bit integers for BLAS/LAPACK converting movecs_rotate.F to 32-bit integers for BLAS/LAPACK converting vectors.F to 32-bit integers for BLAS/LAPACK converting ga_get2eri.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in fast gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf/fast' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 potential.F pot_shell.F fmm.F newfmm.F testfmm.F cart_trans.F xlm_poles.F fastj.F solver.F converting potential.F to 32-bit integers for BLAS/LAPACK converting pot_shell.F to 32-bit integers for BLAS/LAPACK converting fmm.F to 32-bit integers for BLAS/LAPACK converting newfmm.F to 32-bit integers for BLAS/LAPACK converting testfmm.F to 32-bit integers for BLAS/LAPACK converting cart_trans.F to 32-bit integers for BLAS/LAPACK converting xlm_poles.F to 32-bit integers for BLAS/LAPACK converting fastj.F to 32-bit integers for BLAS/LAPACK converting solver.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf/fast' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/gradients' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 grad2.F ga_reorder.F grad_dens.F converting grad2.F to 32-bit integers for BLAS/LAPACK converting ga_reorder.F to 32-bit integers for BLAS/LAPACK converting grad_dens.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/gradients' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/moints' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 moints_2x.F moints_6x.F moints_aux2.F moints_ccsd.F moints_full.F moints_semi.F sifs0.F sifs1.F converting moints_2x.F to 32-bit integers for BLAS/LAPACK converting moints_6x.F to 32-bit integers for BLAS/LAPACK converting moints_aux2.F to 32-bit integers for BLAS/LAPACK converting moints_ccsd.F to 32-bit integers for BLAS/LAPACK converting moints_full.F to 32-bit integers for BLAS/LAPACK converting moints_semi.F to 32-bit integers for BLAS/LAPACK converting sifs0.F to 32-bit integers for BLAS/LAPACK converting sifs1.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/moints' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I./include -I./grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in include gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/include' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 xc_vwn_a.fh converting xc_vwn_a.fh to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/include' Making 64_to_32 in input_dft gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/input_dft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/input_dft' Making 64_to_32 in scf_dft gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 dft_mxovl.F diis_bld12.F diis_bsolve.F dft_densm.F dft_swapab.F dft_canorg.F cdft_util.F converting dft_mxovl.F to 32-bit integers for BLAS/LAPACK converting diis_bld12.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve.F to 32-bit integers for BLAS/LAPACK converting dft_densm.F to 32-bit integers for BLAS/LAPACK converting dft_swapab.F to 32-bit integers for BLAS/LAPACK converting dft_canorg.F to 32-bit integers for BLAS/LAPACK converting cdft_util.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft' Making 64_to_32 in scf_dft_cg gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft_cg' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft_cg' Making 64_to_32 in so_dft gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/so_dft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 dft_mxovlso.F diis_bld12_so.F diis_bsolve_so.F sym_mo_adapt_so.F sym_op_clsfy_so.F dft_scf_so.F ga_orthog_so.F dft_scf_utils_so.F dft_densmso.F converting dft_mxovlso.F to 32-bit integers for BLAS/LAPACK converting diis_bld12_so.F to 32-bit integers for BLAS/LAPACK converting diis_bsolve_so.F to 32-bit integers for BLAS/LAPACK converting sym_mo_adapt_so.F to 32-bit integers for BLAS/LAPACK converting sym_op_clsfy_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_so.F to 32-bit integers for BLAS/LAPACK converting ga_orthog_so.F to 32-bit integers for BLAS/LAPACK converting dft_scf_utils_so.F to 32-bit integers for BLAS/LAPACK converting dft_densmso.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/so_dft' Making 64_to_32 in coulomb gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/coulomb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 dft_fitcd.F dft_fitvc.F dft_genspm.F dft_3cincor.F dft_get2eri.F converting dft_fitcd.F to 32-bit integers for BLAS/LAPACK converting dft_fitvc.F to 32-bit integers for BLAS/LAPACK converting dft_genspm.F to 32-bit integers for BLAS/LAPACK converting dft_3cincor.F to 32-bit integers for BLAS/LAPACK converting dft_get2eri.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/coulomb' Making 64_to_32 in xc gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/xc' cat: /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/tools/build/global/src/ga-wapi.h: No such file or directory /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cat: /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/tools/build/global/src/ga-wapi.h: No such file or directory /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 xc_fitv.F xc_dirac.F xc_bnl.F xc_att_xc.F xc_tabcd.F xc_rhogen.F xc_oep.F xc_sic_pert.F xc_sic.F localize_sic.F xc_eval_basis.F xc_eval_fnl.F xc_fd.F xc_optc.F xc_atomblock.F scat_mat.F xc_replicated.F xc_vdw_main.F xc_vdw_util.F xc_3rd_deriv.F converting xc_fitv.F to 32-bit integers for BLAS/LAPACK converting xc_dirac.F to 32-bit integers for BLAS/LAPACK converting xc_bnl.F to 32-bit integers for BLAS/LAPACK converting xc_att_xc.F to 32-bit integers for BLAS/LAPACK converting xc_tabcd.F to 32-bit integers for BLAS/LAPACK converting xc_rhogen.F to 32-bit integers for BLAS/LAPACK converting xc_oep.F to 32-bit integers for BLAS/LAPACK converting xc_sic_pert.F to 32-bit integers for BLAS/LAPACK converting xc_sic.F to 32-bit integers for BLAS/LAPACK converting localize_sic.F to 32-bit integers for BLAS/LAPACK converting xc_eval_basis.F to 32-bit integers for BLAS/LAPACK converting xc_eval_fnl.F to 32-bit integers for BLAS/LAPACK converting xc_fd.F to 32-bit integers for BLAS/LAPACK converting xc_optc.F to 32-bit integers for BLAS/LAPACK converting xc_atomblock.F to 32-bit integers for BLAS/LAPACK converting scat_mat.F to 32-bit integers for BLAS/LAPACK converting xc_replicated.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_main.F to 32-bit integers for BLAS/LAPACK converting xc_vdw_util.F to 32-bit integers for BLAS/LAPACK converting xc_3rd_deriv.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/xc' Making 64_to_32 in util gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/util' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ga_chol_seq.F ga_inv_seq.F converting ga_chol_seq.F to 32-bit integers for BLAS/LAPACK converting ga_inv_seq.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/util' Making 64_to_32 in grid gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/grid' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 grid_invariant.F grid_beckew.F grid_file.F grid_setspac.F grid_quadv0a.F grid_quadv0b.F grid_quadvw.F grid_tasks.F grid_pscreen.F grid_quadvw1.F grid_xcfit.F grid_sympts.F grid_ssw.F grid_finpts.F grid_ylm.F grid_eaf.F converting grid_invariant.F to 32-bit integers for BLAS/LAPACK converting grid_beckew.F to 32-bit integers for BLAS/LAPACK converting grid_file.F to 32-bit integers for BLAS/LAPACK converting grid_setspac.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0a.F to 32-bit integers for BLAS/LAPACK converting grid_quadv0b.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw.F to 32-bit integers for BLAS/LAPACK converting grid_tasks.F to 32-bit integers for BLAS/LAPACK converting grid_pscreen.F to 32-bit integers for BLAS/LAPACK converting grid_quadvw1.F to 32-bit integers for BLAS/LAPACK converting grid_xcfit.F to 32-bit integers for BLAS/LAPACK converting grid_sympts.F to 32-bit integers for BLAS/LAPACK converting grid_ssw.F to 32-bit integers for BLAS/LAPACK converting grid_finpts.F to 32-bit integers for BLAS/LAPACK converting grid_ylm.F to 32-bit integers for BLAS/LAPACK converting grid_eaf.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/grid' Making 64_to_32 in dftgrad gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/dftgrad' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 dftg_cdfit.F dftg_quadv0b.F dftg_wderiv.F j_nucder_gen.F dft_gradients.F dftg_gridv0a.F dftg_gridv0b.F converting dftg_cdfit.F to 32-bit integers for BLAS/LAPACK converting dftg_quadv0b.F to 32-bit integers for BLAS/LAPACK converting dftg_wderiv.F to 32-bit integers for BLAS/LAPACK converting j_nucder_gen.F to 32-bit integers for BLAS/LAPACK converting dft_gradients.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0a.F to 32-bit integers for BLAS/LAPACK converting dftg_gridv0b.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/dftgrad' Making 64_to_32 in lr_tddft gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 tddft_diagon.F tddft_transfm.F tddft_analysis.F tddft_restart.F converting tddft_diagon.F to 32-bit integers for BLAS/LAPACK converting tddft_transfm.F to 32-bit integers for BLAS/LAPACK converting tddft_analysis.F to 32-bit integers for BLAS/LAPACK converting tddft_restart.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft' Making 64_to_32 in lr_tddft_grad gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft_grad' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 tddft_grad_gxc.F tddft_grad_compute_w.F tddft_grad_dxcdmat.F tddft_grad_dfxc.F tddft_grad_quadv0b.F tddft_grad_dvxc.F tddft_grad_compute_g.F converting tddft_grad_gxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_w.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dxcdmat.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dfxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_quadv0b.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_dvxc.F to 32-bit integers for BLAS/LAPACK converting tddft_grad_compute_g.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft_grad' Making 64_to_32 in zora gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/zora' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 dft_zora_NMR.F dft_zora_EPR-NMR_tools.F zora_tabcd.F dft_zora_EPR.F dft_zora_Hyperfine.F zora_tabcd_EFG.F dft_zora_utils_so.F converting dft_zora_NMR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR-NMR_tools.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd.F to 32-bit integers for BLAS/LAPACK converting dft_zora_EPR.F to 32-bit integers for BLAS/LAPACK converting dft_zora_Hyperfine.F to 32-bit integers for BLAS/LAPACK converting zora_tabcd_EFG.F to 32-bit integers for BLAS/LAPACK converting dft_zora_utils_so.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/zora' Making 64_to_32 in spec gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/spec' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 dft_polfromsos.F converting dft_polfromsos.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/spec' Making 64_to_32 in rt_tddft gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in matutils gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/matutils' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 zmat_diag.F zmat_inv.F converting zmat_diag.F to 32-bit integers for BLAS/LAPACK converting zmat_inv.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/matutils' Making 64_to_32 in rtutils gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/rtutils' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/rtutils' Making 64_to_32 in input gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/input' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/input' Making 64_to_32 in init gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/init' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/init' Making 64_to_32 in canorg gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/canorg' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/canorg' Making 64_to_32 in propagators gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/propagators' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/propagators' Making 64_to_32 in closedshell gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/closedshell' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/closedshell' Making 64_to_32 in openshell gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/openshell' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/openshell' 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft' 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rimp2' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 dgecop.F eval_3ci.F rimp2_v_e2.F xf3ci_s12a.F xf3ci_s12b.F converting dgecop.F to 32-bit integers for BLAS/LAPACK converting eval_3ci.F to 32-bit integers for BLAS/LAPACK converting rimp2_v_e2.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12a.F to 32-bit integers for BLAS/LAPACK converting xf3ci_s12b.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rimp2' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/stepper' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 stpr_driver.F stpr_mkstep.F stpr_partit.F stpr_gh_at.F converting stpr_driver.F to 32-bit integers for BLAS/LAPACK converting stpr_mkstep.F to 32-bit integers for BLAS/LAPACK converting stpr_partit.F to 32-bit integers for BLAS/LAPACK converting stpr_gh_at.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/stepper' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/driver' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 opt_drv.F oniom.F lbfgs.F lbfgs-b.F lbfgs-b_driver.F converting opt_drv.F to 32-bit integers for BLAS/LAPACK converting oniom.F to 32-bit integers for BLAS/LAPACK converting lbfgs.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b.F to 32-bit integers for BLAS/LAPACK converting lbfgs-b_driver.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/driver' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in deloc gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/deloc' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/deloc' Making 64_to_32 in mepgs gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/mepgs' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 mepgs_drv.F converting mepgs_drv.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/mepgs' Making 64_to_32 in tropt gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/tropt' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 tropt_drv.F converting tropt_drv.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/tropt' Making 64_to_32 in neb gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/neb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 neb_drv.F neb_utils.F bead_list.F neb_input.F converting neb_drv.F to 32-bit integers for BLAS/LAPACK converting neb_utils.F to 32-bit integers for BLAS/LAPACK converting bead_list.F to 32-bit integers for BLAS/LAPACK converting neb_input.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/neb' Making 64_to_32 in string gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/string' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 string.F converting string.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/string' 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cphf' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cphf' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ccsd_itm.F ccsd_itm_omp.F ccsd_t2pm.F ccsd_iterdrv2.F ccsd_pampt2.F ccsd_pampt3.F ccsd_idx1.F ccsd_idx2.F ccsd_idx34.F ccsd_pdiis.F ccsd_sortmo.F ccsd_trpdrv.F ccsd_trpdrv_nb.F ccsd_trpdrv_omp.F ccsd_trpdrv_omp_mixprec.F moints_trp.F ccsd_zvecs.F ccsd_z2pm.F ccsd_tzinta.F ccsd_tzintb.F ccsd_zsig1.F ccsd_zsig2.F ccden_interm2.F ccden_1pdm.F geaxpy.F ccsd_mktau_ga.F ccden_2pdmb.F aoccsd2.F moints_trp.F converting ccsd_itm.F to 32-bit integers for BLAS/LAPACK converting ccsd_itm_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_iterdrv2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt2.F to 32-bit integers for BLAS/LAPACK converting ccsd_pampt3.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx1.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx2.F to 32-bit integers for BLAS/LAPACK converting ccsd_idx34.F to 32-bit integers for BLAS/LAPACK converting ccsd_pdiis.F to 32-bit integers for BLAS/LAPACK converting ccsd_sortmo.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_nb.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp.F to 32-bit integers for BLAS/LAPACK converting ccsd_trpdrv_omp_mixprec.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvecs.F to 32-bit integers for BLAS/LAPACK converting ccsd_z2pm.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzinta.F to 32-bit integers for BLAS/LAPACK converting ccsd_tzintb.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig1.F to 32-bit integers for BLAS/LAPACK converting ccsd_zsig2.F to 32-bit integers for BLAS/LAPACK converting ccden_interm2.F to 32-bit integers for BLAS/LAPACK converting ccden_1pdm.F to 32-bit integers for BLAS/LAPACK converting geaxpy.F to 32-bit integers for BLAS/LAPACK converting ccsd_mktau_ga.F to 32-bit integers for BLAS/LAPACK converting ccden_2pdmb.F to 32-bit integers for BLAS/LAPACK converting aoccsd2.F to 32-bit integers for BLAS/LAPACK converting moints_trp.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccsd' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vib' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 vib_eckart.F vib_hmass.F vib_intense.F vib_nmass.F vib_tors.F vib_vib.F vib_wrtfreq.F vib_istep.F vib_thermo.F vib_phonon.F converting vib_eckart.F to 32-bit integers for BLAS/LAPACK converting vib_hmass.F to 32-bit integers for BLAS/LAPACK converting vib_intense.F to 32-bit integers for BLAS/LAPACK converting vib_nmass.F to 32-bit integers for BLAS/LAPACK converting vib_tors.F to 32-bit integers for BLAS/LAPACK converting vib_vib.F to 32-bit integers for BLAS/LAPACK converting vib_wrtfreq.F to 32-bit integers for BLAS/LAPACK converting vib_istep.F to 32-bit integers for BLAS/LAPACK converting vib_thermo.F to 32-bit integers for BLAS/LAPACK converting vib_phonon.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vib' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 hmat.F mcscf_aux.F mcscf_b.F mcscf_debug.F mcscf_fock.F mcscf_ohvmo.F mcscf_orb.F mcscf_prcnd.F converting hmat.F to 32-bit integers for BLAS/LAPACK converting mcscf_aux.F to 32-bit integers for BLAS/LAPACK converting mcscf_b.F to 32-bit integers for BLAS/LAPACK converting mcscf_debug.F to 32-bit integers for BLAS/LAPACK converting mcscf_fock.F to 32-bit integers for BLAS/LAPACK converting mcscf_ohvmo.F to 32-bit integers for BLAS/LAPACK converting mcscf_orb.F to 32-bit integers for BLAS/LAPACK converting mcscf_prcnd.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in detci gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf/detci' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 detci_aux.F detci_dens.F detci_diag.F detci_sigma.F detci_spin.F converting detci_aux.F to 32-bit integers for BLAS/LAPACK converting detci_dens.F to 32-bit integers for BLAS/LAPACK converting detci_diag.F to 32-bit integers for BLAS/LAPACK converting detci_sigma.F to 32-bit integers for BLAS/LAPACK converting detci_spin.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf/detci' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/prepar' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/prepar' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/esp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 esp_esp.F esp_denmat.F converting esp_esp.F to 32-bit integers for BLAS/LAPACK converting esp_denmat.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/esp' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 hess_blas.F converting hess_blas.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in analytic gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 onedd_calc.F hess_restart.F shell_fock_build.F shell_fock_build_cam.F twodd_cont.F converting onedd_calc.F to 32-bit integers for BLAS/LAPACK converting hess_restart.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build.F to 32-bit integers for BLAS/LAPACK converting shell_fock_build_cam.F to 32-bit integers for BLAS/LAPACK converting twodd_cont.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in dft gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic/dft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 xc_cpks_coeff.F xc_d2expl.F xc_nucder_gen.F converting xc_cpks_coeff.F to 32-bit integers for BLAS/LAPACK converting xc_d2expl.F to 32-bit integers for BLAS/LAPACK converting xc_nucder_gen.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic/dft' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/selci' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 davids.F fcidim.F makeh.F makehs.F makhdb.F tester.F selci_hpp.F converting davids.F to 32-bit integers for BLAS/LAPACK converting fcidim.F to 32-bit integers for BLAS/LAPACK converting makeh.F to 32-bit integers for BLAS/LAPACK converting makehs.F to 32-bit integers for BLAS/LAPACK converting makhdb.F to 32-bit integers for BLAS/LAPACK converting tester.F to 32-bit integers for BLAS/LAPACK converting selci_hpp.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/selci' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dplot' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 dplot.F dmat.F create_contour.F get_charges.F dplot_dos.F converting dplot.F to 32-bit integers for BLAS/LAPACK converting dmat.F to 32-bit integers for BLAS/LAPACK converting create_contour.F to 32-bit integers for BLAS/LAPACK converting get_charges.F to 32-bit integers for BLAS/LAPACK converting dplot_dos.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dplot' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mp2_grad' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 mp2_energy.F mp2_lai_uhf.F mp2_make_tuhf.F mp2_pijab_uhf.F mp2_wai_uhf.F mp2_wijab_uhf.F mp2_back_transform.F mp2_read_tiajb.F converting mp2_energy.F to 32-bit integers for BLAS/LAPACK converting mp2_lai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_make_tuhf.F to 32-bit integers for BLAS/LAPACK converting mp2_pijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wai_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_wijab_uhf.F to 32-bit integers for BLAS/LAPACK converting mp2_back_transform.F to 32-bit integers for BLAS/LAPACK converting mp2_read_tiajb.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mp2_grad' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qhop' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qhop' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/property' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 hnd_elfcon.F wnbofile.F hnd_spinspin.F hnd_mtpole.F hnd_mulken.F hnd_elpmap.F hnd_elfmap.F hnd_mtpcon.F giaofock.F hnd_spinspin.F aoresponse_driver.F raman.F hnd_efgmap_z4.F hnd_gshift_zora.F wshldfile.F int_giao_1ega.F whypfile.F wefgfile.F aoresponse_driver_new.F hnd_elfcon_symm.F wgshiftfile.F hnd_hyperfine_zora.F converting hnd_elfcon.F to 32-bit integers for BLAS/LAPACK converting wnbofile.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpole.F to 32-bit integers for BLAS/LAPACK converting hnd_mulken.F to 32-bit integers for BLAS/LAPACK converting hnd_elpmap.F to 32-bit integers for BLAS/LAPACK converting hnd_elfmap.F to 32-bit integers for BLAS/LAPACK converting hnd_mtpcon.F to 32-bit integers for BLAS/LAPACK converting giaofock.F to 32-bit integers for BLAS/LAPACK converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver.F to 32-bit integers for BLAS/LAPACK converting raman.F to 32-bit integers for BLAS/LAPACK converting hnd_efgmap_z4.F to 32-bit integers for BLAS/LAPACK converting hnd_gshift_zora.F to 32-bit integers for BLAS/LAPACK converting wshldfile.F to 32-bit integers for BLAS/LAPACK converting int_giao_1ega.F to 32-bit integers for BLAS/LAPACK converting whypfile.F to 32-bit integers for BLAS/LAPACK converting wefgfile.F to 32-bit integers for BLAS/LAPACK converting aoresponse_driver_new.F to 32-bit integers for BLAS/LAPACK converting hnd_elfcon_symm.F to 32-bit integers for BLAS/LAPACK converting wgshiftfile.F to 32-bit integers for BLAS/LAPACK converting hnd_hyperfine_zora.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/property' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/solvation' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/solvation' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in nwpwlib gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in Parallel gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Parallel' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 Parallel-mpi.F Parallel.F converting Parallel-mpi.F to 32-bit integers for BLAS/LAPACK converting Parallel.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Parallel' Making 64_to_32 in D1dB gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D1dB' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 D1dB-mpi.F Dne.F skew.F Dne_omp.F Dnex.F converting D1dB-mpi.F to 32-bit integers for BLAS/LAPACK converting Dne.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting Dne_omp.F to 32-bit integers for BLAS/LAPACK converting Dnex.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D1dB' Making 64_to_32 in D3dB gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D3dB' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 D3dB-new.F D3dB_pfft.F D3dB-mpi.F D3dB-tcgmsg.F converting D3dB-new.F to 32-bit integers for BLAS/LAPACK converting D3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting D3dB-mpi.F to 32-bit integers for BLAS/LAPACK converting D3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D3dB' Making 64_to_32 in Pneb gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Pneb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 Pneb.F converting Pneb.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Pneb' Making 64_to_32 in K1dB gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/K1dB' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 K1dB-mpi.F converting K1dB-mpi.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/K1dB' Making 64_to_32 in C3dB gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/C3dB' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 C3dB-new.F C3dB_pfft.F C3dB-tcgmsg.F C3dB-mpi.F converting C3dB-new.F to 32-bit integers for BLAS/LAPACK converting C3dB_pfft.F to 32-bit integers for BLAS/LAPACK converting C3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting C3dB-mpi.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/C3dB' Making 64_to_32 in DMatrix gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/DMatrix' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 DMatrix-mpi.F DMatrix.F DMatrix-tcgmsg.F converting DMatrix-mpi.F to 32-bit integers for BLAS/LAPACK converting DMatrix.F to 32-bit integers for BLAS/LAPACK converting DMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/DMatrix' Making 64_to_32 in CMatrix gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/CMatrix' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 CMatrix.F CMatrix-tcgmsg.F CMatrix-mpi.F converting CMatrix.F to 32-bit integers for BLAS/LAPACK converting CMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK converting CMatrix-mpi.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/CMatrix' Making 64_to_32 in TMatrix gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TMatrix' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 dgemm_omp.F ffm_multiply_omp_group.F converting dgemm_omp.F to 32-bit integers for BLAS/LAPACK converting ffm_multiply_omp_group.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TMatrix' Making 64_to_32 in control gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/control' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 control.F converting control.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/control' Making 64_to_32 in lattice gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/lattice' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 lattice.f pack.F G_init.F cram.F c_G_init.F converting lattice.f to 32-bit integers for BLAS/LAPACK converting pack.F to 32-bit integers for BLAS/LAPACK converting G_init.F to 32-bit integers for BLAS/LAPACK converting cram.F to 32-bit integers for BLAS/LAPACK converting c_G_init.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/lattice' Making 64_to_32 in io gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/io' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/io' Making 64_to_32 in ion gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ion.F fcoord.f incell1.f incell2.f incell3.f unfold.f seperate_molpsp.F seperate_pointcharge.F ion_FixIon.F converting ion.F to 32-bit integers for BLAS/LAPACK converting fcoord.f to 32-bit integers for BLAS/LAPACK converting incell1.f to 32-bit integers for BLAS/LAPACK converting incell2.f to 32-bit integers for BLAS/LAPACK converting incell3.f to 32-bit integers for BLAS/LAPACK converting unfold.f to 32-bit integers for BLAS/LAPACK converting seperate_molpsp.F to 32-bit integers for BLAS/LAPACK converting seperate_pointcharge.F to 32-bit integers for BLAS/LAPACK converting ion_FixIon.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in shake gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion/shake' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 molecular.F converting molecular.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion/shake' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion' Making 64_to_32 in pseudopotential gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in paw_atom gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential/paw_atom' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential/paw_atom' 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential' Making 64_to_32 in utilities gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 auto_corr.F matrix.f nwpw_scf_mixing.F kerker_G.F cell.F cellgeometry.F nwpw_list.F cpsi_data.F psi_data.F nwpw_diis.F nwpw_kain.F nwpw_matrix_invert.F generate_unfolded_xyz.F converting auto_corr.F to 32-bit integers for BLAS/LAPACK converting matrix.f to 32-bit integers for BLAS/LAPACK converting nwpw_scf_mixing.F to 32-bit integers for BLAS/LAPACK converting kerker_G.F to 32-bit integers for BLAS/LAPACK converting cell.F to 32-bit integers for BLAS/LAPACK converting cellgeometry.F to 32-bit integers for BLAS/LAPACK converting nwpw_list.F to 32-bit integers for BLAS/LAPACK converting cpsi_data.F to 32-bit integers for BLAS/LAPACK converting psi_data.F to 32-bit integers for BLAS/LAPACK converting nwpw_diis.F to 32-bit integers for BLAS/LAPACK converting nwpw_kain.F to 32-bit integers for BLAS/LAPACK converting nwpw_matrix_invert.F to 32-bit integers for BLAS/LAPACK converting generate_unfolded_xyz.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in paw_utilities gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities/paw_utilities' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 nwpw_gaunt.F nwpw_compcharge.F nwpw_xc.F nwpw_compcharge2.F converting nwpw_gaunt.F to 32-bit integers for BLAS/LAPACK converting nwpw_compcharge.F to 32-bit integers for BLAS/LAPACK converting nwpw_xc.F to 32-bit integers for BLAS/LAPACK converting nwpw_compcharge2.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities/paw_utilities' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities' Making 64_to_32 in unitcell gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/unitcell' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/unitcell' Making 64_to_32 in brillouin_zone gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/brillouin_zone' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/brillouin_zone' Making 64_to_32 in fractional gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/fractional' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 fractional.F frac_occ.F converting fractional.F to 32-bit integers for BLAS/LAPACK converting frac_occ.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/fractional' Making 64_to_32 in linesearch gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/linesearch' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/linesearch' Making 64_to_32 in timing gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/timing' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 nwpw_timing.F converting nwpw_timing.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/timing' Making 64_to_32 in ewald gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ewald' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ewald.F ewald_strfac.F converting ewald.F to 32-bit integers for BLAS/LAPACK converting ewald_strfac.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ewald' Making 64_to_32 in thermostats gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/thermostats' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 nose-hoover.F converting nose-hoover.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/thermostats' Making 64_to_32 in MetaDynamics gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/MetaDynamics' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 metadynamics.F converting metadynamics.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/MetaDynamics' Making 64_to_32 in TAMD gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TAMD' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 tamd.F converting tamd.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TAMD' Making 64_to_32 in FMM gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/FMM' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 fmm.F converting fmm.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/FMM' Making 64_to_32 in md_xs gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 md_xs.F converting md_xs.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in FEFF6L gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs/FEFF6L' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs/FEFF6L' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs' Making 64_to_32 in nwpwxc gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/nwpwxc' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 nwpwxc_vdw3a.F nwpwxc_vdw3c.F nwpwxc_eval.F nwpwxc_c_vwn_a.fh converting nwpwxc_vdw3a.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_vdw3c.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_eval.F to 32-bit integers for BLAS/LAPACK converting nwpwxc_c_vwn_a.fh to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/nwpwxc' 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib' Making 64_to_32 in libraryps gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/libraryps' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/libraryps' Making 64_to_32 in pspw gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in lib gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in psi gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psi' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 psi.F geodesic.F geodesic2.F Grassman.F dipole.F psi_history.F skew.F geodesic1.F berry_phase_pol.F psi_dmatrix.F converting psi.F to 32-bit integers for BLAS/LAPACK converting geodesic.F to 32-bit integers for BLAS/LAPACK converting geodesic2.F to 32-bit integers for BLAS/LAPACK converting Grassman.F to 32-bit integers for BLAS/LAPACK converting dipole.F to 32-bit integers for BLAS/LAPACK converting psi_history.F to 32-bit integers for BLAS/LAPACK converting skew.F to 32-bit integers for BLAS/LAPACK converting geodesic1.F to 32-bit integers for BLAS/LAPACK converting berry_phase_pol.F to 32-bit integers for BLAS/LAPACK converting psi_dmatrix.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psi' Making 64_to_32 in electron gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/electron' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 electron.F psi_H.F psi_Hv4.F converting electron.F to 32-bit integers for BLAS/LAPACK converting psi_H.F to 32-bit integers for BLAS/LAPACK converting psi_Hv4.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/electron' Making 64_to_32 in ke gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ke' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ke.F converting ke.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ke' Making 64_to_32 in coulomb gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/coulomb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 coulomb.F coulomb2.F coulomb_screened.F coulomb_screened_small.F converting coulomb.F to 32-bit integers for BLAS/LAPACK converting coulomb2.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened.F to 32-bit integers for BLAS/LAPACK converting coulomb_screened_small.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/coulomb' Making 64_to_32 in exchange-correlation gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 v_bwexc_euv.F v_bwexc.F nwpw_meta_gga.F v_mexc.F converting v_bwexc_euv.F to 32-bit integers for BLAS/LAPACK converting v_bwexc.F to 32-bit integers for BLAS/LAPACK converting nwpw_meta_gga.F to 32-bit integers for BLAS/LAPACK converting v_mexc.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in vdw-DF gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 vdw-DF.F converting vdw-DF.F to 32-bit integers for BLAS/LAPACK gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation' Making 64_to_32 in sic gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/sic' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 pspw_sic.F converting pspw_sic.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/sic' Making 64_to_32 in hfx gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/hfx' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 pspw_hfx.F pspw_hfx_localized.F converting pspw_hfx.F to 32-bit integers for BLAS/LAPACK converting pspw_hfx_localized.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/hfx' Making 64_to_32 in ion gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ion' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ion' Making 64_to_32 in psp gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 psp.F psp_olddebug.F paw.F semicore.F semicore_force.F psp_stress.F semicore_force_a.F semicore_force_b.F psp_U.F psp_ld.F converting psp.F to 32-bit integers for BLAS/LAPACK converting psp_olddebug.F to 32-bit integers for BLAS/LAPACK converting paw.F to 32-bit integers for BLAS/LAPACK converting semicore.F to 32-bit integers for BLAS/LAPACK converting semicore_force.F to 32-bit integers for BLAS/LAPACK converting psp_stress.F to 32-bit integers for BLAS/LAPACK converting semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting psp_U.F to 32-bit integers for BLAS/LAPACK converting psp_ld.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psp' Making 64_to_32 in Grsm_list gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/Grsm_list' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 pspw_lmbfgs.F pspw_lmbfgs2.F pspw_diis.F pspw_Grsm_list.F pspw_rmmdiis.F converting pspw_lmbfgs.F to 32-bit integers for BLAS/LAPACK converting pspw_lmbfgs2.F to 32-bit integers for BLAS/LAPACK converting pspw_diis.F to 32-bit integers for BLAS/LAPACK converting pspw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting pspw_rmmdiis.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/Grsm_list' Making 64_to_32 in aorbs gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/aorbs' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 aorbs.F converting aorbs.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/aorbs' Making 64_to_32 in truncating_function gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/truncating_function' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 truncating_function.F converting truncating_function.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/truncating_function' 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib' Making 64_to_32 in kbpp gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/kbpp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 setup_kbpp.f integrate_kbppv3.f integrate_kbppv3d.f integrate_kbpp_orb.F integrate_stress.F integrate_d_stress.F HGH_local.F HGH_nonlocal.F Tesseral.F hghppv1.F pawppv1.F integrate_kbppv3d_new.f integrate_kbppv3_new.f integrate_d_stress_new.F integrate_pawppv1.F junk.f integrate_kbppv3_ray.f integrate_stress_new.F integrate_stress_ray.F integrate_paw_ray.F integrate_kbppv3e.f integrate_kbppv3e_new.f integrate_kbppv3e_ray.f kbppv3e_stress.F integrate_e_stress.F integrate_e_stress_new.F integrate_e_stress_ray.F kbppv3d.F converting setup_kbpp.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_orb.F to 32-bit integers for BLAS/LAPACK converting integrate_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_d_stress.F to 32-bit integers for BLAS/LAPACK converting HGH_local.F to 32-bit integers for BLAS/LAPACK converting HGH_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral.F to 32-bit integers for BLAS/LAPACK converting hghppv1.F to 32-bit integers for BLAS/LAPACK converting pawppv1.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3d_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_new.f to 32-bit integers for BLAS/LAPACK converting integrate_d_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_pawppv1.F to 32-bit integers for BLAS/LAPACK converting junk.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3_ray.f to 32-bit integers for BLAS/LAPACK converting integrate_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_paw_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_new.f to 32-bit integers for BLAS/LAPACK converting integrate_kbppv3e_ray.f to 32-bit integers for BLAS/LAPACK converting kbppv3e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_new.F to 32-bit integers for BLAS/LAPACK converting integrate_e_stress_ray.F to 32-bit integers for BLAS/LAPACK converting kbppv3d.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/kbpp' Making 64_to_32 in makepsi gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/makepsi' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 wvfnc_init.F v_wvfnc_init.F wvfnc_expander.F v_wvfnc_new.F wvfnc_new.F silvestrelli_minimize.F expand_cell.F wvfnc_expand_cell.F band_reformat_c_wvfnc.F wvfnc_adjust.F silvestrelli_minimize_old.F makenodefunctions.F pspw_wannier2.F converting wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_init.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize.F to 32-bit integers for BLAS/LAPACK converting expand_cell.F to 32-bit integers for BLAS/LAPACK converting wvfnc_expand_cell.F to 32-bit integers for BLAS/LAPACK converting band_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK converting silvestrelli_minimize_old.F to 32-bit integers for BLAS/LAPACK converting makenodefunctions.F to 32-bit integers for BLAS/LAPACK converting pspw_wannier2.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/makepsi' Making 64_to_32 in cpsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cpsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 psi_lmbda.f psi_lmbda2.f psi_lmbda3.f psi_lmbda_sic.f psi_lmbda_paw.f inner_loop.F inner_loop_md.F cpsdv5.F cpmdv5.F psi_lmbda2.f psi_lmbda_omp.F mmsdv1.F inner_loop_qmmm_step.F cpmd_qmmm_start.F cpmd_qmmm_stop.F mm_loop.F pspw_et.F psi_lmbda_omp.F converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda3.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_sic.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_paw.f to 32-bit integers for BLAS/LAPACK converting inner_loop.F to 32-bit integers for BLAS/LAPACK converting inner_loop_md.F to 32-bit integers for BLAS/LAPACK converting cpsdv5.F to 32-bit integers for BLAS/LAPACK converting cpmdv5.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK converting psi_lmbda_omp.F to 32-bit integers for BLAS/LAPACK converting mmsdv1.F to 32-bit integers for BLAS/LAPACK converting inner_loop_qmmm_step.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_start.F to 32-bit integers for BLAS/LAPACK converting cpmd_qmmm_stop.F to 32-bit integers for BLAS/LAPACK converting mm_loop.F to 32-bit integers for BLAS/LAPACK converting pspw_et.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda_omp.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cpsd' Making 64_to_32 in cgsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cgsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 cgsdv5.F cgmdv5.F cgmontecarlov1.F cgoptimize1.F cgsd_energy.F bybminimize.F bybminimize2.F pspw_bq_gradient.F cgminimize.F mmmdv1.F bfgsminimize2.F bfgsminimize3.F md_energy.F cgminimize2.F cgsd_noit_energy.F bfgsminimize.F converting cgsdv5.F to 32-bit integers for BLAS/LAPACK converting cgmdv5.F to 32-bit integers for BLAS/LAPACK converting cgmontecarlov1.F to 32-bit integers for BLAS/LAPACK converting cgoptimize1.F to 32-bit integers for BLAS/LAPACK converting cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting bybminimize.F to 32-bit integers for BLAS/LAPACK converting bybminimize2.F to 32-bit integers for BLAS/LAPACK converting pspw_bq_gradient.F to 32-bit integers for BLAS/LAPACK converting cgminimize.F to 32-bit integers for BLAS/LAPACK converting mmmdv1.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize2.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize3.F to 32-bit integers for BLAS/LAPACK converting md_energy.F to 32-bit integers for BLAS/LAPACK converting cgminimize2.F to 32-bit integers for BLAS/LAPACK converting cgsd_noit_energy.F to 32-bit integers for BLAS/LAPACK converting bfgsminimize.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cgsd' Making 64_to_32 in analysis gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 pspw_Lubin_water_analysis.F pspw_atom_analysis.F analysis.F orb_pop_kawai.F orb_pop_aorb.F converting pspw_Lubin_water_analysis.F to 32-bit integers for BLAS/LAPACK converting pspw_atom_analysis.F to 32-bit integers for BLAS/LAPACK converting analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_kawai.F to 32-bit integers for BLAS/LAPACK converting orb_pop_aorb.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in APC gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis/APC' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 pspw_APC.F pspw_Efield.F pspw_Efield_grad.F converting pspw_APC.F to 32-bit integers for BLAS/LAPACK converting pspw_Efield.F to 32-bit integers for BLAS/LAPACK converting pspw_Efield_grad.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis/APC' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis' Making 64_to_32 in cell_optimize gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cell_optimize' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 update_unitcell.F stress_fd.F force_fd.F converting update_unitcell.F to 32-bit integers for BLAS/LAPACK converting stress_fd.F to 32-bit integers for BLAS/LAPACK converting force_fd.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cell_optimize' Making 64_to_32 in qmmm gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 pspw_qmmm.F converting pspw_qmmm.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in pspw_LJ gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_LJ' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 pspw_LJ.F converting pspw_LJ.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_LJ' Making 64_to_32 in pspw_Q gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Q' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 pspw_Q.F converting pspw_Q.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Q' Making 64_to_32 in pspw_Pair gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Pair' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 pspw_Pair.F converting pspw_Pair.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Pair' Making 64_to_32 in mmq gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/mmq' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 mmq.F converting mmq.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/mmq' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm' Making 64_to_32 in charge gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/charge' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 pspw_charge.F pspw_cosmo.F converting pspw_charge.F to 32-bit integers for BLAS/LAPACK converting pspw_cosmo.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/charge' Making 64_to_32 in dplot gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/dplot' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 pspw_dplot.F ELF.F converting pspw_dplot.F to 32-bit integers for BLAS/LAPACK converting ELF.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/dplot' Making 64_to_32 in lcao gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lcao' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 lcao_diis_dn.F lcao_init_dn.F lcao_new_dn.F lcao_new_mix_dn.F lcao_generate_vhxcmatrix.F lcao_diis.F lcaov1.F converting lcao_diis_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_init_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_new_mix_dn.F to 32-bit integers for BLAS/LAPACK converting lcao_generate_vhxcmatrix.F to 32-bit integers for BLAS/LAPACK converting lcao_diis.F to 32-bit integers for BLAS/LAPACK converting lcaov1.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lcao' 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw' Making 64_to_32 in paw gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in paw_geometry gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_geometry' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_geometry' Making 64_to_32 in paw_ma gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ma' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ma' Making 64_to_32 in paw_utils gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_utils' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 integrate.F converting integrate.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_utils' Making 64_to_32 in paw_basis gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_basis' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_basis' Making 64_to_32 in paw_proj gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_proj' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_proj.F converting paw_proj.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_proj' Making 64_to_32 in paw_matrix gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_matrix' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_matrix' Making 64_to_32 in paw_ovlp gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ovlp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_overlap_matrix.F paw_ovlp.F converting paw_overlap_matrix.F to 32-bit integers for BLAS/LAPACK converting paw_ovlp.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ovlp' Making 64_to_32 in paw_comp_charge gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_charge' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_charge' Making 64_to_32 in paw_special_functions gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_special_functions' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_special_functions' Making 64_to_32 in paw_gaunt gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_gaunt' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_gaunt' Making 64_to_32 in paw_kinetic gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_kinetic' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_kinetic' Making 64_to_32 in paw_vloc gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_vloc' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_vloc.F converting paw_vloc.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_vloc' Making 64_to_32 in paw_ion_potential gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ion_potential' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ion_potential' Making 64_to_32 in paw_core gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_core' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_core' Making 64_to_32 in paw_hartree gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_hartree' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_pot_hartree.F paw_matrix_hartree.F converting paw_pot_hartree.F to 32-bit integers for BLAS/LAPACK converting paw_matrix_hartree.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_hartree' Making 64_to_32 in paw_comp_pot gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_pot' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_pot' Making 64_to_32 in paw_mult gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_mult' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_mult.F paw_mult_interaction.F paw_mult_energy.F converting paw_mult.F to 32-bit integers for BLAS/LAPACK converting paw_mult_interaction.F to 32-bit integers for BLAS/LAPACK converting paw_mult_energy.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_mult' Making 64_to_32 in paw_nonlocal gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_nonlocal' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_nonlocal.F converting paw_nonlocal.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_nonlocal' Making 64_to_32 in paw_density gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_density' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_density.F converting paw_density.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_density' Making 64_to_32 in paw_xc gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_xc' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_xc.F converting paw_xc.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_xc' Making 64_to_32 in paw_force gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_force' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_force.F converting paw_force.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_force' Making 64_to_32 in paw_Grsm_list gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_Grsm_list' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_Grsm_list.F paw_lmbfgs.F converting paw_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting paw_lmbfgs.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_Grsm_list' Making 64_to_32 in paw_psi gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_psi' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_psi.F paw_geodesic.F paw_electron.F paw_psi2.F converting paw_psi.F to 32-bit integers for BLAS/LAPACK converting paw_geodesic.F to 32-bit integers for BLAS/LAPACK converting paw_electron.F to 32-bit integers for BLAS/LAPACK converting paw_psi2.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_psi' Making 64_to_32 in cpsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cpsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_sd.F paw_inner_loop.F paw_cpmd.F paw_inner_loop_md.F converting paw_sd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop.F to 32-bit integers for BLAS/LAPACK converting paw_cpmd.F to 32-bit integers for BLAS/LAPACK converting paw_inner_loop_md.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cpsd' Making 64_to_32 in cgsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cgsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_bfgsminimize.F paw_minimizer.F paw_cgsd_energy.F paw_cgminimize.F converting paw_bfgsminimize.F to 32-bit integers for BLAS/LAPACK converting paw_minimizer.F to 32-bit integers for BLAS/LAPACK converting paw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting paw_cgminimize.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cgsd' Making 64_to_32 in cell_optimize gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cell_optimize' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 paw_stress_fd.F paw_update_unitcell.F converting paw_stress_fd.F to 32-bit integers for BLAS/LAPACK converting paw_update_unitcell.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cell_optimize' 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw' Making 64_to_32 in band gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in minimizer gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/minimizer' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 band_minimizer.F c_cgsd_energy.F c_cgsd_energy_gradient.F c_bybminimize.F c_bybminimize2.F c_cgsd_energy_stress.F converting band_minimizer.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_gradient.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize.F to 32-bit integers for BLAS/LAPACK converting c_bybminimize2.F to 32-bit integers for BLAS/LAPACK converting c_cgsd_energy_stress.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/minimizer' Making 64_to_32 in structure gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/structure' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 band_structure.F band_interpolate_structure.F band_kp_structure.F band_fft_structure.F converting band_structure.F to 32-bit integers for BLAS/LAPACK converting band_interpolate_structure.F to 32-bit integers for BLAS/LAPACK converting band_kp_structure.F to 32-bit integers for BLAS/LAPACK converting band_fft_structure.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/structure' Making 64_to_32 in cpsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cpsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 band_sd.F band_cpmd.F band_inner_loop.F band_inner_loop_md.F converting band_sd.F to 32-bit integers for BLAS/LAPACK converting band_cpmd.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop.F to 32-bit integers for BLAS/LAPACK converting band_inner_loop_md.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cpsd' Making 64_to_32 in cell_optimize gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cell_optimize' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 band_stress_fd.F band_update_unitcell.F converting band_stress_fd.F to 32-bit integers for BLAS/LAPACK converting band_update_unitcell.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cell_optimize' Making 64_to_32 in kbpp gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/kbpp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 kbpp_band.F kbpp_band_orb.F setup_kbpp_band.f integrate_kbpp_band_local.F integrate_kbpp_band_nonlocal.F integrate_kbpp_band_orb.F kbpp_band_stress.F integrate_kbpp_band_stress_local.F integrate_kbpp_band_stress_nonlocal.F HGH_band_local.F HGH_band_nonlocal.F Tesseral_band.F Spherical_band.F hghpp_band.F integrate_kbpp_band_ray.F integrate_kbpp_band_stress_ray.F rkbpp_band.F integrate_kbpp_band_local_new.F integrate_kbpp_e_band_local_new.F integrate_kbpp_band_stress_local_new.F integrate_kbpp_band_nonlocal_new.F integrate_kbpp_band_stress_nonlocal_new.F kbpp_e_band.F integrate_kbpp_e_band_nonlocal.F integrate_kbpp_e_band_nonlocal_new.F integrate_kbpp_e_band_local.F integrate_kbpp_e_band_ray.F kbpp_e_band_stress.F integrate_kbpp_e_band_stress_local.F integrate_kbpp_e_band_stress_local_new.F integrate_kbpp_e_band_stress_ray.F integrate_kbpp_e_band_stress_nonlocal.F integrate_kbpp_e_band_stress_nonlocal_new.F converting kbpp_band.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting setup_kbpp_band.f to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK converting kbpp_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting HGH_band_local.F to 32-bit integers for BLAS/LAPACK converting HGH_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting Tesseral_band.F to 32-bit integers for BLAS/LAPACK converting Spherical_band.F to 32-bit integers for BLAS/LAPACK converting hghpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting rkbpp_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_ray.F to 32-bit integers for BLAS/LAPACK converting kbpp_e_band_stress.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_ray.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK converting integrate_kbpp_e_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/kbpp' Making 64_to_32 in makepsi gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/makepsi' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 pspw_reformat_c_wvfnc.F c_wvfnc_new.F c_wvfnc_expander.F c_v_wvfnc_new.F c_wvfnc_adjust.F converting pspw_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_expander.F to 32-bit integers for BLAS/LAPACK converting c_v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK converting c_wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/makepsi' Making 64_to_32 in lib gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in cpsp gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/cpsp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 cpsp.F cpsp_stress.F c_semicore.F cpsp_projector.F c_semicore_force_a.F c_semicore_force_b.F cpsp_relativistic.F cpsp_U.F converting cpsp.F to 32-bit integers for BLAS/LAPACK converting cpsp_stress.F to 32-bit integers for BLAS/LAPACK converting c_semicore.F to 32-bit integers for BLAS/LAPACK converting cpsp_projector.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_a.F to 32-bit integers for BLAS/LAPACK converting c_semicore_force_b.F to 32-bit integers for BLAS/LAPACK converting cpsp_relativistic.F to 32-bit integers for BLAS/LAPACK converting cpsp_U.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/cpsp' Making 64_to_32 in ke gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/ke' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 cke.F converting cke.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/ke' Making 64_to_32 in coulomb gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/coulomb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 c_coulomb.F c_coulomb_screened.F converting c_coulomb.F to 32-bit integers for BLAS/LAPACK converting c_coulomb_screened.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/coulomb' Making 64_to_32 in electron gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/electron' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 c_electron.F psi_lmbda.f cpsi_H.F converting c_electron.F to 32-bit integers for BLAS/LAPACK converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK converting cpsi_H.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/electron' Making 64_to_32 in psi gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/psi' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 cpsi.F c_geodesic.F cpsi_lmbda.F BGrsm.F cpsi_KS.F cpsi_read.F cpsi_write.F v_cpsi_read.F v_cpsi_write.F converting cpsi.F to 32-bit integers for BLAS/LAPACK converting c_geodesic.F to 32-bit integers for BLAS/LAPACK converting cpsi_lmbda.F to 32-bit integers for BLAS/LAPACK converting BGrsm.F to 32-bit integers for BLAS/LAPACK converting cpsi_KS.F to 32-bit integers for BLAS/LAPACK converting cpsi_read.F to 32-bit integers for BLAS/LAPACK converting cpsi_write.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_read.F to 32-bit integers for BLAS/LAPACK converting v_cpsi_write.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/psi' Making 64_to_32 in hfx gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/hfx' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 band_hfx.F converting band_hfx.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/hfx' Making 64_to_32 in Grsm_list gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/Grsm_list' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 band_Grsm_list.F band_lmbfgs.F converting band_Grsm_list.F to 32-bit integers for BLAS/LAPACK converting band_lmbfgs.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/Grsm_list' Making 64_to_32 in borbs gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/borbs' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 borbs.F borb_projector.F converting borbs.F to 32-bit integers for BLAS/LAPACK converting borb_projector.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/borbs' 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib' Making 64_to_32 in dplot gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/dplot' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 band_dplot.F converting band_dplot.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/dplot' Making 64_to_32 in analysis gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 band_analysis.F orb_pop_borb.F converting band_analysis.F to 32-bit integers for BLAS/LAPACK converting orb_pop_borb.F to 32-bit integers for BLAS/LAPACK Making 64_to_32 in APC gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis/APC' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 band_APC.F band_Efield.F converting band_APC.F to 32-bit integers for BLAS/LAPACK converting band_Efield.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis/APC' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis' 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band' Making 64_to_32 in ofpw gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in minimizer gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/minimizer' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ofpw_minimizer.F ofpw_cgsd_energy.F ofpw_cgminimize.F converting ofpw_minimizer.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK converting ofpw_cgminimize.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/minimizer' Making 64_to_32 in cpsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/cpsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ofpwsd.F inner_loop_ofpw.F chi_lmbda.f converting ofpwsd.F to 32-bit integers for BLAS/LAPACK converting inner_loop_ofpw.F to 32-bit integers for BLAS/LAPACK converting chi_lmbda.f to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/cpsd' Making 64_to_32 in lib gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in chi gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/chi' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/chi' Making 64_to_32 in electron gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/electron' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 chi_H.F chi_Hv4.F converting chi_H.F to 32-bit integers for BLAS/LAPACK converting chi_Hv4.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/electron' Making 64_to_32 in ke gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/ke' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 v_thomasfermi.F converting v_thomasfermi.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/ke' Making 64_to_32 in WGC gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/WGC' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 wgc.F converting wgc.F to 32-bit integers for BLAS/LAPACK gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/WGC' 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib' 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw' 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in pfft1.0 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making 64_to_32 in fftpack gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/fftpack' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/fftpack' Making 64_to_32 in pfft gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/pfft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 drain.F fillup.F converting drain.F to 32-bit integers for BLAS/LAPACK converting fillup.F to 32-bit integers for BLAS/LAPACK gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/pfft' 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0' Making 64_to_32 in pfftwrap gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfftwrap' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfftwrap' 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/analyz' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/analyz' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwmd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwmd' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cafe' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cafe' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/space' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/space' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/drdy' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 nwc_gen.F nwc_s2.F nwc_s1.F converting nwc_gen.F to 32-bit integers for BLAS/LAPACK converting nwc_s2.F to 32-bit integers for BLAS/LAPACK converting nwc_s1.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/drdy' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vscf' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 vscf.F converting vscf.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vscf' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmmm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 task_qmmm_gradient.F qmmm_lbfgsb.F mm_interface.F converting task_qmmm_gradient.F to 32-bit integers for BLAS/LAPACK converting qmmm_lbfgsb.F to 32-bit integers for BLAS/LAPACK converting mm_interface.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmmm' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmd' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/etrans' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 et_dgefa.F converting et_dgefa.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/etrans' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I./include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 tce_mbpt2.F tce_residual_t1.F tce_residual_t2.F tce_residual_t3.F tce_residual_t4.F tce_residual_t3a.F tce_ao2e.F tce_mo2e.F tce_guess_t1.F tce_mod1.F tce_moq1.F tce_eom_xdiagon.F dscalfile.F tce_eom_ydiagon.F tce_ao1e.F tce_aod1.F tce_aoq1.F tce_mo1e.F tce_ao_mp1.F tce_mo_mp1.F tce_mo2e_zones_4a_disk_ga.F tce_mo2e_zones_4a_disk_ga_chop.F tce_mo2e_zones_4a_disk_4s_new_patch.F tce_mo2e_zones_4a_disk_2s_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m2.F tce_mo2e_2emet3.F tce_mo2e_2emet3_n5.F tce_mo2e_2emet4.F tce_mo2e_2emet4_n5.F tce_mo2e_disk_2eorb.F tce_mo2e_incore_2eorb.F tce_mo2e_incore_2eorb_split.F tce_mo2e_hybrid_2eorb_split.F tce_diagnose_t1.F ddotfile.F tce_ao2e_cholesky.F tce_energy.F ccsd_lr_alpha.F tensor_read_write.F tce_diis_act.F tce_mo2e_zones_4a_disk_ga_act.F tce_mo2e_zones_4a_disk_ga_chop_act.F ccsd_qr_beta.F daxpyfile.F tce_ao2e_cholesky_orb.F tce_ao2e_disk.F tce_ao2e_new.F tce_dgeev.F tce_mo2e_disk.F tce_mo2e_new.F tce_mo2e_zones_4a_disk_4s_new_patch_m3.F tce_mo2e_zones_4a_disk_ga_N5.F tce_mo2e_zones_4a_disk_ga_chop_N5.F tce_mod1_new.F new_ga4ind_N5.F new4ind_N5_osu.F tce_read_t.o converting tce_mbpt2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t1.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t2.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t4.F to 32-bit integers for BLAS/LAPACK converting tce_residual_t3a.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e.F to 32-bit integers for BLAS/LAPACK converting tce_guess_t1.F to 32-bit integers for BLAS/LAPACK converting tce_mod1.F to 32-bit integers for BLAS/LAPACK converting tce_moq1.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon.F to 32-bit integers for BLAS/LAPACK converting dscalfile.F to 32-bit integers for BLAS/LAPACK converting tce_eom_ydiagon.F to 32-bit integers for BLAS/LAPACK converting tce_ao1e.F to 32-bit integers for BLAS/LAPACK Could not open file: tce_moq1.F.684147 converting tce_aod1.F to 32-bit integers for BLAS/LAPACK converting tce_aoq1.F to 32-bit integers for BLAS/LAPACK converting tce_mo1e.F to 32-bit integers for BLAS/LAPACK converting tce_ao_mp1.F to 32-bit integers for BLAS/LAPACK converting tce_mo_mp1.F to 32-bit integers for BLAS/LAPACK Could not open file: tce_mo_mp1.F.685643 Could not open file: tce_ao_mp1.F.685642 Could not open file: tce_aoq1.F.685640 converting tce_mo2e_zones_4a_disk_ga.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_2s_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m2.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet3_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_2emet4_n5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_incore_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_hybrid_2eorb_split.F to 32-bit integers for BLAS/LAPACK converting tce_diagnose_t1.F to 32-bit integers for BLAS/LAPACK converting ddotfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky.F to 32-bit integers for BLAS/LAPACK converting tce_energy.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_alpha.F to 32-bit integers for BLAS/LAPACK converting tensor_read_write.F to 32-bit integers for BLAS/LAPACK converting tce_diis_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_act.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_act.F to 32-bit integers for BLAS/LAPACK converting ccsd_qr_beta.F to 32-bit integers for BLAS/LAPACK converting daxpyfile.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_cholesky_orb.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_ao2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_dgeev.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_disk.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_new.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_4s_new_patch_m3.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mo2e_zones_4a_disk_ga_chop_N5.F to 32-bit integers for BLAS/LAPACK converting tce_mod1_new.F to 32-bit integers for BLAS/LAPACK converting new_ga4ind_N5.F to 32-bit integers for BLAS/LAPACK converting new4ind_N5_osu.F to 32-bit integers for BLAS/LAPACK converting tce_read_t.o to 32-bit integers for BLAS/LAPACK Could not open file: tce_read_t.o.709981 Making 64_to_32 in include gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/include' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/include' Making 64_to_32 in diis gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 tce_diis.F converting tce_diis.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis' Making 64_to_32 in diis2 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis2' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 tce_diis2.F converting tce_diis2.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis2' Making 64_to_32 in gradients gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/gradients' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ccsd_1pdm_hh_mo.F ccsd_1pdm_pp_mo.F ccsd_1pdm_hp_mo.F ccsd_1pdm_ph_mo.F ccsd_2pdm_hhhh_mo.F ccsd_2pdm_hhhp_mo.F ccsd_2pdm_hhpp_mo.F ccsd_2pdm_hphh_mo.F ccsd_2pdm_hphp_mo.F ccsd_2pdm_hppp_mo.F ccsd_2pdm_pphh_mo.F ccsd_2pdm_pphp_mo.F ccsd_2pdm_pppp_mo.F zvec_x_a_a.F zvec_x_a_b_a.F zvec_x_a_b_b.F zvec_x_a_c_a.F zvec_x_a_c_b.F zvec_x_a_d.F zvec_x_a_e_a.F zvec_x_a_e_b.F zvec_x_a_f_a.F zvec_x_a_f_b.F zvec_x_b_a_a.F zvec_x_b_a_b.F zvec_x_b_b_a.F zvec_x_b_b_b.F zvec_x_b_c.F zvec_x_b_d_a.F zvec_x_b_d_b.F zvec_x_b_e_a.F zvec_x_b_e_b.F zvec_x_b_f.F zvec_x_c_a.F zvec_x_c_b.F ccsd_zvec.F wdm_hh_mo_a.F wdm_hh_mo_b_a_a.F wdm_hh_mo_b_a_b.F wdm_hh_mo_b_b_a.F wdm_hh_mo_b_b_b.F wdm_hh_mo_c_a.F wdm_hh_mo_c_b_a.F wdm_hh_mo_c_b_b.F wdm_hh_mo_c_c_a.F wdm_hh_mo_c_c_b.F wdm_hh_mo_c_d.F wdm_hh_mo_c_e_a.F wdm_hh_mo_c_e_b.F wdm_hh_mo_c_f_a.F wdm_hh_mo_c_f_b.F wdm_hh_mo_d.F wdm_hp_mo_a.F wdm_hp_mo_b_a_a.F wdm_hp_mo_b_a_b.F wdm_hp_mo_b_b_a.F wdm_hp_mo_b_b_b.F wdm_hp_mo_b_c.F wdm_hp_mo_b_d_a.F wdm_hp_mo_b_d_b.F wdm_hp_mo_b_e_a.F wdm_hp_mo_b_e_b.F wdm_hp_mo_b_f.F wdm_hp_mo_c.F wdm_pp_mo_a.F wdm_pp_mo_b_a_a.F wdm_pp_mo_b_a_b.F wdm_pp_mo_b_b_a.F wdm_pp_mo_b_b_b.F wdm_pp_mo_b_c.F wdm_pp_mo_b_d_a.F wdm_pp_mo_b_d_b.F wdm_pp_mo_b_e_a.F wdm_pp_mo_b_e_b.F wdm_pp_mo_b_f.F eomccsd_1pdm_hh_mo.F eomccsd_1pdm_pp_mo.F tce_eomccsd_1prdm.F eomccsd_2pdm_hhhh_mo.F eomccsd_2pdm_hhhp_mo.F eomccsd_2pdm_hhpp_mo.F eomccsd_2pdm_hphh_mo.F eomccsd_2pdm_hphp_mo.F eomccsd_2pdm_hppp_mo.F eomccsd_2pdm_pphh_mo.F eomccsd_2pdm_pphp_mo.F eomccsd_2pdm_pppp_mo.F eomccsd_z1.F eomccsd_z2.F eomccsd_2pdm_pphh_zvec_mo.F eomccsd_1pdm_hp_mo.F eomccsd_1pdm_ph_mo.F eomccsd_x1_grad.F eomccsd_x2_grad.F tce_eom_xdiagon_grad.F tce_cisdt_denominator.F cisdtq_2pdm_hhhh_mo.F cisdtq_2pdm_hphp_mo.F cisdtq_2pdm_hppp_mo.F cisdtq_2pdm_pphp_mo.F cisdtq_2pdm_pppp_mo.F mp4_1pdm_pp_mo_III_b.F tce_cis_denominator.F cisd_1pdm_hh_mo.F ccsdt_2pdm_hphh_mo.F ccsdt_2pdm_hhhp_mo.F mp3_1pdm_hh_mo.F ccsdt_2pdm_pphh_mo.F tce_cisdtq_denominator.F tce_mp4_t24.F cis_x1.F cisd_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_II.F cisd_2pdm_hphp_mo.F cisdtq_1pdm_hh_mo.F cisd_2pdm_hppp_mo.F cisd_2pdm_pphp_mo.F cis_1pdm_pp_mo.F cisd_2pdm_pppp_mo.F ccsdt_1pdm_pp_mo.F cisdt_1pdm_pp_mo.F mp4_2pdm_hphh_mo.F mp2_1pdm_hh_mo.F mp4_2pdm_pphh_mo.F ccsdtq_2pdm_hphh_mo.F ccsdtq_2pdm_hhhp_mo.F cis_2pdm_hphp_mo.F tce_cisd_denominator.F ccsdtq_2pdm_pphh_mo.F cisdt_2pdm_hhhh_mo.F mp4_1pdm_hh_mo_III_a.F ccsdtq_1pdm_pp_mo.F cisdt_2pdm_hphp_mo.F btrans1.F cisdt_2pdm_hppp_mo.F cisdt_2pdm_pphp_mo.F cisdt_2pdm_pppp_mo.F cisdtq_2pdm_hphh_mo.F cisdtq_2pdm_hhhp_mo.F wdm_hp_mo_b_d_a.F cisdtq_2pdm_pphh_mo.F cisdtq_2pdm_hhpp_mo.F mp4_1pdm_hh_mo_III_b.F btrans2.F ccsdt_2pdm_hhhh_mo.F wdm_hp_mo_b_d_b.F ccsdt_2pdm_hphp_mo.F cisd_1pdm_pp_mo.F ccsdt_2pdm_hppp_mo.F ccsdt_2pdm_pphp_mo.F mp3_1pdm_pp_mo.F ccsdt_2pdm_pppp_mo.F tce_mp2_norm.F cisd_2pdm_hphh_mo.F cisd_2pdm_hhhp_mo.F cis_1pdm_hh_mo.F cisd_2pdm_pphh_mo.F cisd_2pdm_hhpp_mo.F wdm_hp_mo_b_e_a.F ccsdt_1pdm_hh_mo.F mp4_1pdm_pp_mo_II.F cisdt_1pdm_hh_mo.F cisdtq_1pdm_pp_mo.F ccsdt_1pdm_ph_mo.F mp4_2pdm_hhhh_mo.F cis_xdiagon.F mp4_2pdm_hphp_mo.F ccsdtq_2pdm_hhhh_mo.F mp4_2pdm_pphp_mo.F mp2_1pdm_pp_mo.F mp3_2pdm_hhhh_mo.F ccsdtq_1pdm_hh_mo.F mp4_2pdm_pppp_mo.F ccsdtq_2pdm_hphp_mo.F wdm_hp_mo_b_e_b.F ccsdtq_1pdm_ph_mo.F ccsdtq_2pdm_hppp_mo.F ccsdtq_2pdm_pphp_mo.F cisdt_2pdm_hphh_mo.F cisdt_2pdm_hhhp_mo.F mp3_2pdm_hphp_mo.F ccsdtq_2pdm_pppp_mo.F cisdt_2pdm_pphh_mo.F cisdt_2pdm_hhpp_mo.F mp4_1pdm_pp_mo_III_a.F mp3_2pdm_pppp_mo.F converting ccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_c_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_d.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_a_f_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_a_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_b_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_c.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_d_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_e_b.F to 32-bit integers for BLAS/LAPACK converting zvec_x_b_f.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_a.F to 32-bit integers for BLAS/LAPACK converting zvec_x_c_b.F to 32-bit integers for BLAS/LAPACK converting ccsd_zvec.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_c_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_c_f_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hh_mo_d.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_a_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_b_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_c.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting wdm_pp_mo_b_f.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_z2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_2pdm_pphh_zvec_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_hp_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_grad.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_grad.F to 32-bit integers for BLAS/LAPACK converting tce_eom_xdiagon_grad.F to 32-bit integers for BLAS/LAPACK converting tce_cisdt_denominator.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting tce_cis_denominator.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisdtq_denominator.F to 32-bit integers for BLAS/LAPACK converting tce_mp4_t24.F to 32-bit integers for BLAS/LAPACK converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_cisd_denominator.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting btrans1.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_a.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_hh_mo_III_b.F to 32-bit integers for BLAS/LAPACK converting btrans2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_d_b.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting tce_mp2_norm.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting cis_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisd_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_II.F to 32-bit integers for BLAS/LAPACK converting cisdt_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdtq_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdt_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting mp2_1pdm_pp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hhhh_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_hh_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting wdm_hp_mo_b_e_b.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_1pdm_ph_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_hppp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pphp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhhp_mo.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_hphp_mo.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_pphh_mo.F to 32-bit integers for BLAS/LAPACK converting cisdt_2pdm_hhpp_mo.F to 32-bit integers for BLAS/LAPACK converting mp4_1pdm_pp_mo_III_a.F to 32-bit integers for BLAS/LAPACK converting mp3_2pdm_pppp_mo.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/gradients' Making 64_to_32 in ccsd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ccsd_e.F ccsd_t1.F ccsd_t2.F cc2_t1.F cc2_t2.F ccsd_1prdm_hh.F ccsd_1prdm_hp.F ccsd_1prdm_ph.F ccsd_1prdm_pp.F ccsd_1prdm.F icsd_t1.F icsd_t2.F ccsd_t2_8.F converting ccsd_e.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2.F to 32-bit integers for BLAS/LAPACK converting cc2_t1.F to 32-bit integers for BLAS/LAPACK converting cc2_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting ccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting icsd_t1.F to 32-bit integers for BLAS/LAPACK converting icsd_t2.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2_8.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd' Making 64_to_32 in ccsd_lambda gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_lambda' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ccsd_density1.F ccsd_lambda1_1.F ccsd_lambda1_2.F ccsd_lambda2.F ccsd_lambda1_mod.F converting ccsd_density1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_1.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda2.F to 32-bit integers for BLAS/LAPACK converting ccsd_lambda1_mod.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_lambda' Making 64_to_32 in eomccsd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 eomccsd_x1.F eomccsd_x2.F eomccsd_y1.F eomccsd_y2.F eomccsd_denominator.F eomccsd_density1.F cc2_x1.F cc2_x2.F eomccsd_1prdm_hh.F eomccsd_1prdm_hp.F eomccsd_1prdm_ph.F eomccsd_1prdm_pp.F eomccsd_1prdm.F eomccsd_x1_old.F eomccsd_x2_old.F eomicsd_x1.F eomicsd_x2.F converting eomccsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_y2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsd_density1.F to 32-bit integers for BLAS/LAPACK converting cc2_x1.F to 32-bit integers for BLAS/LAPACK converting cc2_x2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hh.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_hp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_ph.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm_pp.F to 32-bit integers for BLAS/LAPACK converting eomccsd_1prdm.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x1_old.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2_old.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x1.F to 32-bit integers for BLAS/LAPACK converting eomicsd_x2.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd' Making 64_to_32 in ccsd_t gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_t' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ccsd_t_doubles.F ccsd_t_singles.F ccsd_t_doubles_l.F ccsd_t_singles_l.F lambda_ccsd_t_left.F ccsd2_q_left.F ccsd2_q_right.F ccsd2_t_left.F ccsdt2_q_left.F ccsdt2_q_right.F cr_ccsd_t_D.F cr_ccsd_t_E.F cr_ccsd_t_N.F lr_ccsd_tq.F cr_qcisd_t.F m2_dot_m1t1.F ccsd_t_singles_l_6dts.F ccsd_t_doubles_l_6dts.F ccsd_t.F converting ccsd_t_doubles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l.F to 32-bit integers for BLAS/LAPACK converting lambda_ccsd_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsd2_q_right.F to 32-bit integers for BLAS/LAPACK converting ccsd2_t_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_left.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_q_right.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_D.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N.F to 32-bit integers for BLAS/LAPACK converting lr_ccsd_tq.F to 32-bit integers for BLAS/LAPACK converting cr_qcisd_t.F to 32-bit integers for BLAS/LAPACK converting m2_dot_m1t1.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_singles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_doubles_l_6dts.F to 32-bit integers for BLAS/LAPACK converting ccsd_t.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_t' Making 64_to_32 in cr-eomccsd_t gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr-eomccsd_t' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 c1_c1.F c2_c2.F c2excit2.F cr_eomccsd_t_n2_1_1_2_2.F cr_eomccsd_t_n2_1_1_2.F cr_eomccsd_t_n2_1_1_3.F cr_eomccsd_t_n2_1_1.F cr_eomccsd_t_n2_1_2.F cr_eomccsd_t_n2_1_3_1.F cr_eomccsd_t_n2_1_3_2_1.F cr_eomccsd_t_n2_1_3_2.F cr_eomccsd_t_n2_1_3_3.F cr_eomccsd_t_n2_1_3.F cr_eomccsd_t_n2_1_4_1.F cr_eomccsd_t_n2_1_4.F cr_eomccsd_t_n2_1_5_1.F cr_eomccsd_t_n2_1_5.F cr_eomccsd_t_n2_1_6_1.F cr_eomccsd_t_n2_1_6.F cr_eomccsd_t_n2_1_7_2.F cr_eomccsd_t_n2_1_7.F cr_eomccsd_t_n2_1_8_2.F cr_eomccsd_t_n2_1_8.F cr_eomccsd_t_n2_1_9.F cr_eomccsd_t_n2_1.F cr_eomccsd_t_n2_2_1_2.F cr_eomccsd_t_n2_2_1_3.F cr_eomccsd_t_n2_2_1_4.F cr_eomccsd_t_n2_2_1.F cr_eomccsd_t_n2_2.F cr_eomccsd_t_n2_3_1.F cr_eomccsd_t_n2_3_2_1.F cr_eomccsd_t_n2_3_2.F cr_eomccsd_t_n2_3_3_2.F cr_eomccsd_t_n2_3_3.F cr_eomccsd_t_n2_3_4.F cr_eomccsd_t_n2_3.F cr_eomccsd_t_n2_4_1_1.F cr_eomccsd_t_n2_4_1_2_1.F cr_eomccsd_t_n2_4_1_2.F cr_eomccsd_t_n2_4_1_3_1.F cr_eomccsd_t_n2_4_1_3.F cr_eomccsd_t_n2_4_1_4.F cr_eomccsd_t_n2_4_1.F cr_eomccsd_t_n2_4_2_2_2.F cr_eomccsd_t_n2_4_2_2.F cr_eomccsd_t_n2_4_2_3.F cr_eomccsd_t_n2_4_2_4.F cr_eomccsd_t_n2_4_2.F cr_eomccsd_t_n2_4.F cr_eomccsd_t_n2_5_2_2_2.F cr_eomccsd_t_n2_5_2_2.F cr_eomccsd_t_n2_5_2_3.F cr_eomccsd_t_n2_5_2.F cr_eomccsd_t_n2_5_3_2.F cr_eomccsd_t_n2_5_3.F cr_eomccsd_t_n2_5_4_2.F cr_eomccsd_t_n2_5_4.F cr_eomccsd_t_n2_5_5_2.F cr_eomccsd_t_n2_5_5.F cr_eomccsd_t_n2_5_6.F cr_eomccsd_t_n2_5.F cr_eomccsd_t_n2_6_2.F cr_eomccsd_t_n2_6_3_2.F cr_eomccsd_t_n2_6_3.F cr_eomccsd_t_n2_6_4.F cr_eomccsd_t_n2_6.F cr_s_m3.F nr0.F q3rexpt2.F t2t12.F creomccsd_t_n2_mem.F cr_eomccsd_t.F q3rexpt2_6dts.F creomccsd_t_n2_mem_6dts.F cr_eomccsd_t_6dts.F cr_ccsd_t_N_6dts.F cr_ccsd_t_E_6dts.F cr_eomccsd_t_6dts_d4d5_parallel.F converting c1_c1.F to 32-bit integers for BLAS/LAPACK converting c2_c2.F to 32-bit integers for BLAS/LAPACK converting c2excit2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_7.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_8.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1_9.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_1.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5_6.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_5.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3_2.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_3.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6_4.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_n2_6.F to 32-bit integers for BLAS/LAPACK converting cr_s_m3.F to 32-bit integers for BLAS/LAPACK converting nr0.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2.F to 32-bit integers for BLAS/LAPACK converting t2t12.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_6dts.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_mem_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_E_6dts.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_6dts_d4d5_parallel.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr-eomccsd_t' Making 64_to_32 in lrh gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lrh' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lrh' Making 64_to_32 in emb gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/emb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 c2vt1_s.F c1v.F converting c2vt1_s.F to 32-bit integers for BLAS/LAPACK converting c1v.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/emb' Making 64_to_32 in ccd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ccd_e.F ccd_t2.F converting ccd_e.F to 32-bit integers for BLAS/LAPACK converting ccd_t2.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccd' Making 64_to_32 in lccd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 lccd_e.F lccd_t2.F converting lccd_e.F to 32-bit integers for BLAS/LAPACK converting lccd_t2.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccd' Making 64_to_32 in lccsd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 lccsd_e.F lccsd_t1.F lccsd_t2.F converting lccsd_e.F to 32-bit integers for BLAS/LAPACK converting lccsd_t1.F to 32-bit integers for BLAS/LAPACK converting lccsd_t2.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccsd' Making 64_to_32 in qcisd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/qcisd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 qcisd_e.F qcisd_t1.F qcisd_t2.F converting qcisd_e.F to 32-bit integers for BLAS/LAPACK converting qcisd_t1.F to 32-bit integers for BLAS/LAPACK converting qcisd_t2.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/qcisd' Making 64_to_32 in cc3 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cc3' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 cc3_t3.F ccsdt1b_t3.F ccsdt2_t3.F ccsdt3_t3.F eomccsdt1_x3.F eomcc3_x3.F eomccsdt3_x3.F cc3_lambda3.F converting cc3_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt1b_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt2_t3.F to 32-bit integers for BLAS/LAPACK converting ccsdt3_t3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt1_x3.F to 32-bit integers for BLAS/LAPACK converting eomcc3_x3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt3_x3.F to 32-bit integers for BLAS/LAPACK converting cc3_lambda3.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cc3' Making 64_to_32 in mbpt1 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt1' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 mbpt1_t1.F mbpt1_t2.F converting mbpt1_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt1_t2.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt1' Making 64_to_32 in mbpt2 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt2' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 mbpt2_e.F mbpt2_t1.F mbpt2_t2_b.F mbpt2_t2.F mbpt2_t3.F mbpt2_t1_sd.F mbpt2_t2_sd.F mbpt2_t4.F converting mbpt2_e.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_b.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t3.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t2_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt2_t4.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt2' Making 64_to_32 in mbpt3 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt3' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 mbpt3_e.F mbpt3_t1.F mbpt3_t2.F mbpt3_t1_sd.F mbpt3_t2_sd.F converting mbpt3_e.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t1_sd.F to 32-bit integers for BLAS/LAPACK converting mbpt3_t2_sd.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt3' Making 64_to_32 in mbpt4 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt4' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 mbpt4_e.F converting mbpt4_e.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt4' Making 64_to_32 in cis gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cis' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 cis_x1.F cis_xdiagon.F converting cis_x1.F to 32-bit integers for BLAS/LAPACK converting cis_xdiagon.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cis' Making 64_to_32 in cisd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 cisd_c1.F cisd_c2.F cisd_e.F converting cisd_c1.F to 32-bit integers for BLAS/LAPACK converting cisd_c2.F to 32-bit integers for BLAS/LAPACK converting cisd_e.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisd' Making 64_to_32 in cisdt gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdt' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 cisdt_c1.F cisdt_c2.F cisdt_c3.F cisdt_e.F converting cisdt_c1.F to 32-bit integers for BLAS/LAPACK converting cisdt_c2.F to 32-bit integers for BLAS/LAPACK converting cisdt_c3.F to 32-bit integers for BLAS/LAPACK converting cisdt_e.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdt' Making 64_to_32 in cisdtq gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdtq' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 cisdtq_c1.F cisdtq_c2.F cisdtq_c3.F cisdtq_c4.F cisdtq_e.F converting cisdtq_c1.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c2.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c3.F to 32-bit integers for BLAS/LAPACK converting cisdtq_c4.F to 32-bit integers for BLAS/LAPACK converting cisdtq_e.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdtq' Making 64_to_32 in ccsd_act gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_act' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ccsd_ea.F ccsd_t1a.F ccsd_t2a.F diag1_act2.F diag2_act2.F converting ccsd_ea.F to 32-bit integers for BLAS/LAPACK converting ccsd_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsd_t2a.F to 32-bit integers for BLAS/LAPACK converting diag1_act2.F to 32-bit integers for BLAS/LAPACK converting diag2_act2.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_act' Making 64_to_32 in eomccsd_act gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd_act' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 eomccsd_x1a.F eomccsd_x2a.F q2na_hc1.F converting eomccsd_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsd_x2a.F to 32-bit integers for BLAS/LAPACK converting q2na_hc1.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd_act' Making 64_to_32 in cr_eomccsd_t_act gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr_eomccsd_t_act' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 cr_ccsd_t_E_act.F q3rexpt2_act.F cr_ccsd_t_N_act.F creomccsd_t_n2_act_mem.F cr_eomt_simac.F ccsd_t_d_act.F cr_eomccsd_t_act.F cr_eomccsd_tasim.F converting cr_ccsd_t_E_act.F to 32-bit integers for BLAS/LAPACK converting q3rexpt2_act.F to 32-bit integers for BLAS/LAPACK converting cr_ccsd_t_N_act.F to 32-bit integers for BLAS/LAPACK converting creomccsd_t_n2_act_mem.F to 32-bit integers for BLAS/LAPACK converting cr_eomt_simac.F to 32-bit integers for BLAS/LAPACK converting ccsd_t_d_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_t_act.F to 32-bit integers for BLAS/LAPACK converting cr_eomccsd_tasim.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr_eomccsd_t_act' Making 64_to_32 in sort gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/sort' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/sort' Making 64_to_32 in ducc gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ducc' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 rot_vir.F converting rot_vir.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ducc' Making 64_to_32 in ucc4 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ucc4' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ucc4_e_new.F ucc4_t1_new.F ucc4_t2.F ucc4_t2_t2_v_t.F ucc4_t3.F converting ucc4_e_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t1_new.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2.F to 32-bit integers for BLAS/LAPACK converting ucc4_t2_t2_v_t.F to 32-bit integers for BLAS/LAPACK converting ucc4_t3.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ucc4' Making 64_to_32 in ccsdt gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ccsdt_e.F ccsdt_t1a.F ccsdt_t1.F ccsdt_t2a.F ccsdt_t2.F ccsdt_t3_1_2_2_2.F ccsdt_t3_1_2_2.F ccsdt_t3_1_2_3.F ccsdt_t3_1_2.F ccsdt_t3_1_3_2.F ccsdt_t3_1_3.F ccsdt_t3_1_4_2.F ccsdt_t3_1_4.F ccsdt_t3_1_5_2.F ccsdt_t3_1_5.F ccsdt_t3_1_6.F ccsdt_t3_1_7.F ccsdt_t3_1.F ccsdt_t3_2_2.F ccsdt_t3_2_3_2.F ccsdt_t3_2_3.F ccsdt_t3_2_4.F ccsdt_t3_2_5.F ccsdt_t3_2.F ccsdt_t3_3_2_2.F ccsdt_t3_3_2.F ccsdt_t3_3_3.F ccsdt_t3_3_4.F ccsdt_t3_3.F ccsdt_t3_4_2.F ccsdt_t3_4_3.F ccsdt_t3_4.F ccsdt_t3_5_2_2.F ccsdt_t3_5_2.F ccsdt_t3_5_3.F ccsdt_t3_5.F ccsdt_t3_6_2.F ccsdt_t3_6_3.F ccsdt_t3_6.F ccsdt_t3_7.F ccsdt_t3_8_1_2_2.F ccsdt_t3_8_1_2.F ccsdt_t3_8_1_3.F ccsdt_t3_8_1_4.F ccsdt_t3_8_1.F ccsdt_t3_8_2_2.F ccsdt_t3_8_2.F ccsdt_t3_8_3_2.F ccsdt_t3_8_3.F ccsdt_t3_8_4.F ccsdt_t3_8_5_1.F ccsdt_t3_8_5.F ccsdt_t3_8.F ccsdt_t3_9_1.F ccsdt_t3_9.F ccsdt_t3a_1_2_2_2.F ccsdt_t3a_1_2_2.F ccsdt_t3a_1_2_3.F ccsdt_t3a_1_2.F ccsdt_t3a_1_3_2.F ccsdt_t3a_1_3.F ccsdt_t3a_1_4_2.F ccsdt_t3a_1_4.F ccsdt_t3a_1_5_2.F ccsdt_t3a_1_5.F ccsdt_t3a_1_6.F ccsdt_t3a_1_7.F ccsdt_t3a_1.F ccsdt_t3a_2_2.F ccsdt_t3a_2_3_2.F ccsdt_t3a_2_3.F ccsdt_t3a_2_4.F ccsdt_t3a_2_5.F ccsdt_t3a_2.F ccsdt_t3a_3_2_2.F ccsdt_t3a_3_2.F ccsdt_t3a_3_3.F ccsdt_t3a_3_4.F ccsdt_t3a_3.F ccsdt_t3a_4_2.F ccsdt_t3a_4_3.F ccsdt_t3a_4.F ccsdt_t3a_5_2_2.F ccsdt_t3a_5_2.F ccsdt_t3a_5_3.F ccsdt_t3a_5.F ccsdt_t3a_6_2.F ccsdt_t3a_6_3.F ccsdt_t3a_6.F ccsdt_t3a_7.F ccsdt_t3a_8_1_2_2.F ccsdt_t3a_8_1_2.F ccsdt_t3a_8_1_3.F ccsdt_t3a_8_1_4.F ccsdt_t3a_8_1.F ccsdt_t3a_8_2_2.F ccsdt_t3a_8_2.F ccsdt_t3a_8_3_2.F ccsdt_t3a_8_3.F ccsdt_t3a_8_4.F ccsdt_t3a_8_5_1.F ccsdt_t3a_8_5.F ccsdt_t3a_8.F ccsdt_t3a_9_1.F ccsdt_t3a_9.F converting ccsdt_e.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2a.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_t3a_9.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt' Making 64_to_32 in ccsdt_lambda gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt_lambda' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ccsdt_density1.F ccsdt_lambda1_10_1.F ccsdt_lambda1_10_2.F ccsdt_lambda1_10_3.F ccsdt_lambda1_10.F ccsdt_lambda1_11_1.F ccsdt_lambda1_11_2.F ccsdt_lambda1_11_3.F ccsdt_lambda1_11.F ccsdt_lambda1_12_1.F ccsdt_lambda1_12_2.F ccsdt_lambda1_12_3.F ccsdt_lambda1_12.F ccsdt_lambda1_13_1.F ccsdt_lambda1_13_2.F ccsdt_lambda1_13.F ccsdt_lambda1_14_1.F ccsdt_lambda1_14_2.F ccsdt_lambda1_14_3_1.F ccsdt_lambda1_14_3_2.F ccsdt_lambda1_14_3_3_1.F ccsdt_lambda1_14_3_3_2.F ccsdt_lambda1_14_3_3.F ccsdt_lambda1_14_3.F ccsdt_lambda1_14_4_1.F ccsdt_lambda1_14_4.F ccsdt_lambda1_14_5_1.F ccsdt_lambda1_14_5_2.F ccsdt_lambda1_14_5.F ccsdt_lambda1_14_6_1.F ccsdt_lambda1_14_6.F ccsdt_lambda1_14_7_1.F ccsdt_lambda1_14_7.F ccsdt_lambda1_14_8_1.F ccsdt_lambda1_14_8.F ccsdt_lambda1_14_9_1_1.F ccsdt_lambda1_14_9_1.F ccsdt_lambda1_14_9.F ccsdt_lambda1_14.F ccsdt_lambda1_15_1.F ccsdt_lambda1_15_2.F ccsdt_lambda1_15_3_1.F ccsdt_lambda1_15_3.F ccsdt_lambda1_15_4_1.F ccsdt_lambda1_15_4.F ccsdt_lambda1_15.F ccsdt_lambda1_16_1.F ccsdt_lambda1_16_2.F ccsdt_lambda1_16_3_1.F ccsdt_lambda1_16_3_2.F ccsdt_lambda1_16_3.F ccsdt_lambda1_16_4_1.F ccsdt_lambda1_16_4.F ccsdt_lambda1_16.F ccsdt_lambda1_17_1.F ccsdt_lambda1_17.F ccsdt_lambda1_18_1_2.F ccsdt_lambda1_18_1_3.F ccsdt_lambda1_18_1_4.F ccsdt_lambda1_18_1.F ccsdt_lambda1_18_2_2.F ccsdt_lambda1_18_2.F ccsdt_lambda1_18_3_2.F ccsdt_lambda1_18_3.F ccsdt_lambda1_18_4.F ccsdt_lambda1_18_5_1.F ccsdt_lambda1_18_5.F ccsdt_lambda1_18_6_1_1.F ccsdt_lambda1_18_6_1.F ccsdt_lambda1_18_6.F ccsdt_lambda1_18.F ccsdt_lambda1_19_1.F ccsdt_lambda1_19.F ccsdt_lambda1_20_1_1.F ccsdt_lambda1_20_1.F ccsdt_lambda1_20.F ccsdt_lambda1_21_1_1.F ccsdt_lambda1_21_1.F ccsdt_lambda1_21_2_1_1.F ccsdt_lambda1_21_2_1.F ccsdt_lambda1_21_2.F ccsdt_lambda1_21.F ccsdt_lambda1_2_2_2.F ccsdt_lambda1_2_2.F ccsdt_lambda1_2_3.F ccsdt_lambda1_2_4.F ccsdt_lambda1_2.F ccsdt_lambda1_3_2.F ccsdt_lambda1_3_3_1.F ccsdt_lambda1_3_3.F ccsdt_lambda1_3.F ccsdt_lambda1_4.F ccsdt_lambda1_5_2_2_2.F ccsdt_lambda1_5_2_2.F ccsdt_lambda1_5_2_3.F ccsdt_lambda1_5_2_4.F ccsdt_lambda1_5_2.F ccsdt_lambda1_5_3_2.F ccsdt_lambda1_5_3.F ccsdt_lambda1_5_4.F ccsdt_lambda1_5_5_2.F ccsdt_lambda1_5_5.F ccsdt_lambda1_5_6_2.F ccsdt_lambda1_5_6.F ccsdt_lambda1_5_7.F ccsdt_lambda1_5_8.F ccsdt_lambda1_5.F ccsdt_lambda1_6_2_2_2.F ccsdt_lambda1_6_2_2.F ccsdt_lambda1_6_2_3.F ccsdt_lambda1_6_2.F ccsdt_lambda1_6_3_2.F ccsdt_lambda1_6_3.F ccsdt_lambda1_6_4_2.F ccsdt_lambda1_6_4.F ccsdt_lambda1_6_5_2.F ccsdt_lambda1_6_5.F ccsdt_lambda1_6_6.F ccsdt_lambda1_6_7.F ccsdt_lambda1_6.F ccsdt_lambda1_7_2.F ccsdt_lambda1_7.F ccsdt_lambda1_8_10_2.F ccsdt_lambda1_8_10.F ccsdt_lambda1_8_11.F ccsdt_lambda1_8_12_1.F ccsdt_lambda1_8_12_2.F ccsdt_lambda1_8_12_3.F ccsdt_lambda1_8_12.F ccsdt_lambda1_8_13_1.F ccsdt_lambda1_8_13_2.F ccsdt_lambda1_8_13_3.F ccsdt_lambda1_8_13.F ccsdt_lambda1_8_14_1.F ccsdt_lambda1_8_14_2.F ccsdt_lambda1_8_14.F ccsdt_lambda1_8_2_2_2_2.F ccsdt_lambda1_8_2_2_2.F ccsdt_lambda1_8_2_2_3.F ccsdt_lambda1_8_2_2.F ccsdt_lambda1_8_2_3_2.F ccsdt_lambda1_8_2_3.F ccsdt_lambda1_8_2_4.F ccsdt_lambda1_8_2_5_1.F ccsdt_lambda1_8_2_5.F ccsdt_lambda1_8_2.F ccsdt_lambda1_8_3_2.F ccsdt_lambda1_8_3.F ccsdt_lambda1_8_4_2_1.F ccsdt_lambda1_8_4_2.F ccsdt_lambda1_8_4.F ccsdt_lambda1_8_5_2_1.F ccsdt_lambda1_8_5_2.F ccsdt_lambda1_8_5.F ccsdt_lambda1_8_6_2_2.F ccsdt_lambda1_8_6_2.F ccsdt_lambda1_8_6_3.F ccsdt_lambda1_8_6.F ccsdt_lambda1_8_7_2.F ccsdt_lambda1_8_7_3.F ccsdt_lambda1_8_7.F ccsdt_lambda1_8_8.F ccsdt_lambda1_8_9_2.F ccsdt_lambda1_8_9.F ccsdt_lambda1_8.F ccsdt_lambda1_9_2.F ccsdt_lambda1_9_3.F ccsdt_lambda1_9_4_1.F ccsdt_lambda1_9_4_2.F ccsdt_lambda1_9_4_3.F ccsdt_lambda1_9_4.F ccsdt_lambda1_9_5_1.F ccsdt_lambda1_9_5_2.F ccsdt_lambda1_9_5.F ccsdt_lambda1_9_6_1.F ccsdt_lambda1_9_6.F ccsdt_lambda1_9.F ccsdt_lambda2_10_2_2_2.F ccsdt_lambda2_10_2_2.F ccsdt_lambda2_10_2_3.F ccsdt_lambda2_10_2_4.F ccsdt_lambda2_10_2.F ccsdt_lambda2_10_3_2.F ccsdt_lambda2_10_3_3.F ccsdt_lambda2_10_3.F ccsdt_lambda2_10_4.F ccsdt_lambda2_10_5_2.F ccsdt_lambda2_10_5.F ccsdt_lambda2_10_6.F ccsdt_lambda2_10_7.F ccsdt_lambda2_10_8.F ccsdt_lambda2_10.F ccsdt_lambda2_11_2_2_2.F ccsdt_lambda2_11_2_2.F ccsdt_lambda2_11_2_3.F ccsdt_lambda2_11_2.F ccsdt_lambda2_11_3_2.F ccsdt_lambda2_11_3.F ccsdt_lambda2_11_4_2.F ccsdt_lambda2_11_4.F ccsdt_lambda2_11_5_2.F ccsdt_lambda2_11_5.F ccsdt_lambda2_11_6.F ccsdt_lambda2_11_7.F ccsdt_lambda2_11.F ccsdt_lambda2_12_2.F ccsdt_lambda2_12_3_2.F ccsdt_lambda2_12_3.F ccsdt_lambda2_12_4.F ccsdt_lambda2_12_5.F ccsdt_lambda2_12_6_1.F ccsdt_lambda2_12_6.F ccsdt_lambda2_12_7_1.F ccsdt_lambda2_12_7.F ccsdt_lambda2_12.F ccsdt_lambda2_13_1.F ccsdt_lambda2_13_2.F ccsdt_lambda2_13_3.F ccsdt_lambda2_13.F ccsdt_lambda2_14_1.F ccsdt_lambda2_14_2.F ccsdt_lambda2_14.F ccsdt_lambda2_15_1.F ccsdt_lambda2_15_2.F ccsdt_lambda2_15.F ccsdt_lambda2_16_1.F ccsdt_lambda2_16_2.F ccsdt_lambda2_16.F ccsdt_lambda2_17_1.F ccsdt_lambda2_17.F ccsdt_lambda2_18_1.F ccsdt_lambda2_18_2.F ccsdt_lambda2_18.F ccsdt_lambda2_19_1.F ccsdt_lambda2_19_2.F ccsdt_lambda2_19_3_1.F ccsdt_lambda2_19_3.F ccsdt_lambda2_19_4_1.F ccsdt_lambda2_19_4.F ccsdt_lambda2_19.F ccsdt_lambda2_20_1.F ccsdt_lambda2_20.F ccsdt_lambda2_21_1.F ccsdt_lambda2_21.F ccsdt_lambda2_22_1.F ccsdt_lambda2_2_2.F ccsdt_lambda2_22.F ccsdt_lambda2_23_1.F ccsdt_lambda2_23_2_1.F ccsdt_lambda2_23_2_2.F ccsdt_lambda2_23_2.F ccsdt_lambda2_23_3_1.F ccsdt_lambda2_23_3.F ccsdt_lambda2_23.F ccsdt_lambda2_24_1_1.F ccsdt_lambda2_24_1.F ccsdt_lambda2_24.F ccsdt_lambda2_25_1_1.F ccsdt_lambda2_25_1.F ccsdt_lambda2_25.F ccsdt_lambda2_26_1_1.F ccsdt_lambda2_26_1.F ccsdt_lambda2_26_2_1_1.F ccsdt_lambda2_26_2_1.F ccsdt_lambda2_26_2.F ccsdt_lambda2_26.F ccsdt_lambda2_2.F ccsdt_lambda2_3_2.F ccsdt_lambda2_3.F ccsdt_lambda2_4.F ccsdt_lambda2_5_2_2.F ccsdt_lambda2_5_2.F ccsdt_lambda2_5_3.F ccsdt_lambda2_5_4.F ccsdt_lambda2_5.F ccsdt_lambda2_6_2.F ccsdt_lambda2_6_3.F ccsdt_lambda2_6_4_1.F ccsdt_lambda2_6_4.F ccsdt_lambda2_6.F ccsdt_lambda2_7_2_2.F ccsdt_lambda2_7_2.F ccsdt_lambda2_7_3.F ccsdt_lambda2_7.F ccsdt_lambda2_8_2.F ccsdt_lambda2_8_3.F ccsdt_lambda2_8.F ccsdt_lambda2_9.F ccsdt_lambda3.F converting ccsdt_density1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda1_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_10.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_11.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_12.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_13.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_14.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_15.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_16.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_17.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_18.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_19.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_20.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_21.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_22.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_23.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_24.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_25.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_26.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_5.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4_1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6_4.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_6.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_7.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8_3.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_8.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda2_9.F to 32-bit integers for BLAS/LAPACK converting ccsdt_lambda3.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt_lambda' Making 64_to_32 in eomccsdt gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsdt' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 eomccsdt_denominator.F eomccsdt_density1_1_1.F eomccsdt_density1_1_2.F eomccsdt_density1_1_3.F eomccsdt_density1_1.F eomccsdt_density1_2_1.F eomccsdt_density1_2_2_1.F eomccsdt_density1_2_2.F eomccsdt_density1_2.F eomccsdt_density1_3_1.F eomccsdt_density1_3_2.F eomccsdt_density1_3_3.F eomccsdt_density1_3_4_1.F eomccsdt_density1_3_4_2.F eomccsdt_density1_3_4_3.F eomccsdt_density1_3_4.F eomccsdt_density1_3_5_1.F eomccsdt_density1_3_5_2.F eomccsdt_density1_3_5.F eomccsdt_density1_3_6_1.F eomccsdt_density1_3_6.F eomccsdt_density1_3.F eomccsdt_density1_4_1.F eomccsdt_density1_4_2_1.F eomccsdt_density1_4_2.F eomccsdt_density1_4.F eomccsdt_density1_5_10_1.F eomccsdt_density1_5_10_2_1.F eomccsdt_density1_5_10_2_2.F eomccsdt_density1_5_10_2.F eomccsdt_density1_5_10_3_1.F eomccsdt_density1_5_10_3.F eomccsdt_density1_5_10.F eomccsdt_density1_5_11_1.F eomccsdt_density1_5_11.F eomccsdt_density1_5_12_1.F eomccsdt_density1_5_12.F eomccsdt_density1_5_13_1_1.F eomccsdt_density1_5_13_1.F eomccsdt_density1_5_13.F eomccsdt_density1_5_1.F eomccsdt_density1_5_2.F eomccsdt_density1_5_3_1.F eomccsdt_density1_5_3_2.F eomccsdt_density1_5_3_3.F eomccsdt_density1_5_3_4_1.F eomccsdt_density1_5_3_4_2.F eomccsdt_density1_5_3_4_3.F eomccsdt_density1_5_3_4.F eomccsdt_density1_5_3_5_1.F eomccsdt_density1_5_3_5_2.F eomccsdt_density1_5_3_5.F eomccsdt_density1_5_3_6_1.F eomccsdt_density1_5_3_6.F eomccsdt_density1_5_3.F eomccsdt_density1_5_4_1.F eomccsdt_density1_5_4_2.F eomccsdt_density1_5_4_3.F eomccsdt_density1_5_4.F eomccsdt_density1_5_5_1.F eomccsdt_density1_5_5_2.F eomccsdt_density1_5_5_3.F eomccsdt_density1_5_5.F eomccsdt_density1_5_6_1.F eomccsdt_density1_5_6_2.F eomccsdt_density1_5_6.F eomccsdt_density1_5_7_1.F eomccsdt_density1_5_7.F eomccsdt_density1_5_8_1.F eomccsdt_density1_5_8_2.F eomccsdt_density1_5_8_3.F eomccsdt_density1_5_8.F eomccsdt_density1_5_9_1.F eomccsdt_density1_5_9_2.F eomccsdt_density1_5_9.F eomccsdt_density1_5.F eomccsdt_density1_6_1.F eomccsdt_density1_6_2.F eomccsdt_density1_6_3_1.F eomccsdt_density1_6_3_2.F eomccsdt_density1_6_3.F eomccsdt_density1_6_4_1.F eomccsdt_density1_6_4_2.F eomccsdt_density1_6_4.F eomccsdt_density1_6_5_1.F eomccsdt_density1_6_5.F eomccsdt_density1_6.F eomccsdt_x1a.F eomccsdt_x1.F eomccsdt_x2a_all12.F eomccsdt_x2a_all15.F eomccsdt_x2a_all18.F eomccsdt_x2a_all3.F eomccsdt_x2a_all6.F eomccsdt_x2a_all9.F eomccsdt_x2_all12.F eomccsdt_x2_all15.F eomccsdt_x2_all18.F eomccsdt_x2_all3.F eomccsdt_x2_all6.F eomccsdt_x2_all9.F eomccsdt_x3a_all12.F eomccsdt_x3a_all15.F eomccsdt_x3a_all17.F eomccsdt_x3a_all3.F eomccsdt_x3a_all6.F eomccsdt_x3a_all9.F eomccsdt_x3_all12.F eomccsdt_x3_all15.F eomccsdt_x3_all17.F eomccsdt_x3_all3.F eomccsdt_x3_all6.F eomccsdt_x3_all9.F eomccsdt_y1_all12.F eomccsdt_y1_all15.F eomccsdt_y1_all18.F eomccsdt_y1_all20.F eomccsdt_y1_all3.F eomccsdt_y1_all6.F eomccsdt_y1_all9.F eomccsdt_y2_all12.F eomccsdt_y2_all15.F eomccsdt_y2_all18.F eomccsdt_y2_all21.F eomccsdt_y2_all24.F eomccsdt_y2_all25.F eomccsdt_y2_all3.F eomccsdt_y2_all6.F eomccsdt_y2_all9.F eomccsdt_y3.F converting eomccsdt_denominator.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_10.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_11.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_13.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_7.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_8.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5_9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4_2.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_4.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5_1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6_5.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_density1_6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1a.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x1.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3a_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all17.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_x3_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all20.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y1_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all12.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all15.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all18.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all21.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all24.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all25.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all3.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all6.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y2_all9.F to 32-bit integers for BLAS/LAPACK converting eomccsdt_y3.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsdt' Making 64_to_32 in ccsd_alpha gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_alpha' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 alpha_1_1_1.F alpha_1_1_2.F alpha_1_1_3_1.F alpha_1_1_3_2.F alpha_1_1_3.F alpha_1_1_4_1.F alpha_1_1_4_2.F alpha_1_1_4.F alpha_1_1_5_1.F alpha_1_1_5.F alpha_1_1_6_1.F alpha_1_1_6.F alpha_1_1.F alpha_1_2_1.F alpha_1_2_2.F alpha_1_2.F alpha_1_3_1.F alpha_1_3.F alpha_1_4_1.F alpha_1_4.F alpha_1.F alpha_2_1_1.F alpha_2_1.F alpha_2_2_1_1.F alpha_2_2_1_2.F alpha_2_2_1.F alpha_2_2_2_1.F alpha_2_2_2_2.F alpha_2_2_2.F alpha_2_2_3_1.F alpha_2_2_3.F alpha_2_2_4_1.F alpha_2_2_4.F alpha_2_2.F alpha_2_3_1_1.F alpha_2_3_1_2.F alpha_2_3_1_3_1.F alpha_2_3_1_3.F alpha_2_3_1_4_1.F alpha_2_3_1_4.F alpha_2_3_1.F alpha_2_3_2_1.F alpha_2_3_2_2.F alpha_2_3_2_3_1.F alpha_2_3_2_3.F alpha_2_3_2_4_1.F alpha_2_3_2_4.F alpha_2_3_2.F alpha_2_3_3_1.F alpha_2_3_3.F alpha_2_3_4_1.F alpha_2_3_4.F alpha_2_3_5_1.F alpha_2_3_5.F alpha_2_3_6_1.F alpha_2_3_6.F alpha_2_3_7_1.F alpha_2_3_7.F alpha_2_3_8_1.F alpha_2_3_8.F alpha_2_3_9_1_1.F alpha_2_3_9_1.F alpha_2_3_9_2_1.F alpha_2_3_9_2.F alpha_2_3_9.F alpha_2_3.F alpha_2_4_1_1.F alpha_2_4_1.F alpha_2_4.F alpha_2_5_10_1_1.F alpha_2_5_10_1.F alpha_2_5_10_2_1.F alpha_2_5_10_2.F alpha_2_5_10_3_1.F alpha_2_5_10_3.F alpha_2_5_10_4_1.F alpha_2_5_10_4.F alpha_2_5_10_5_1.F alpha_2_5_10_5.F alpha_2_5_10_6_1.F alpha_2_5_10_6.F alpha_2_5_10_7_1.F alpha_2_5_10_7.F alpha_2_5_10_8_1_1.F alpha_2_5_10_8_1.F alpha_2_5_10_8.F alpha_2_5_10.F alpha_2_5_11_1_1.F alpha_2_5_11_1.F alpha_2_5_1_1.F alpha_2_5_11.F alpha_2_5_12_1_1.F alpha_2_5_12_1.F alpha_2_5_1_2.F alpha_2_5_12.F alpha_2_5_13_1_1.F alpha_2_5_1_3_1.F alpha_2_5_13_1.F alpha_2_5_13_2_1.F alpha_2_5_13_2.F alpha_2_5_1_3.F alpha_2_5_13.F alpha_2_5_14_1_1.F alpha_2_5_14_1.F alpha_2_5_14_2_1.F alpha_2_5_14_2.F alpha_2_5_14.F alpha_2_5_1.F alpha_2_5_2_1.F alpha_2_5_2.F alpha_2_5_3_1.F alpha_2_5_3_2.F alpha_2_5_3.F alpha_2_5_4_1.F alpha_2_5_4_2_1.F alpha_2_5_4_2.F alpha_2_5_4.F alpha_2_5_5_1.F alpha_2_5_5_2.F alpha_2_5_5.F alpha_2_5_6_1.F alpha_2_5_6.F alpha_2_5_7_1.F alpha_2_5_7.F alpha_2_5_8_1.F alpha_2_5_8.F alpha_2_5_9_1.F alpha_2_5_9.F alpha_2_5.F alpha_2_6_1_1.F alpha_2_6_1.F alpha_2_6.F alpha_2_7_1_1.F alpha_2_7_1_2_1.F alpha_2_7_1_2.F alpha_2_7_1.F alpha_2_7_2_1.F alpha_2_7_2.F alpha_2_7_3_1.F alpha_2_7_3.F alpha_2_7_4_1.F alpha_2_7_4_2_1.F alpha_2_7_4_2.F alpha_2_7_4.F alpha_2_7_5_1.F alpha_2_7_5.F alpha_2_7_6_1.F alpha_2_7_6.F alpha_2_7_7_1_1.F alpha_2_7_7_1.F alpha_2_7_7.F alpha_2_7.F alpha_2_8_1_1.F alpha_2_8_1.F alpha_2_8_2_1.F alpha_2_8_2.F alpha_2_8_3_1.F alpha_2_8_3.F alpha_2_8_4_1_1.F alpha_2_8_4_1_2_1.F alpha_2_8_4_1_2.F alpha_2_8_4_1.F alpha_2_8_4_2_1.F alpha_2_8_4_2.F alpha_2_8_4_3_1.F alpha_2_8_4_3_2_1.F alpha_2_8_4_3_2.F alpha_2_8_4_3.F alpha_2_8_4_4_1.F alpha_2_8_4_4.F alpha_2_8_4_5_1_1.F alpha_2_8_4_5_1.F alpha_2_8_4_5.F alpha_2_8_4.F alpha_2_8_5_1_1.F alpha_2_8_5_1.F alpha_2_8_5_2_1.F alpha_2_8_5_2.F alpha_2_8_5.F alpha_2_8_6_1_1.F alpha_2_8_6_1.F alpha_2_8_6_2_1.F alpha_2_8_6_2.F alpha_2_8_6_3_1.F alpha_2_8_6_3.F alpha_2_8_6_4_1.F alpha_2_8_6_4.F alpha_2_8_6.F alpha_2_8_7_1_1.F alpha_2_8_7_1.F alpha_2_8_7.F alpha_2_8_8_1_1.F alpha_2_8_8_1.F alpha_2_8_8.F alpha_2_8.F alpha_2.F dip_r_1_1.F dip_r_1_2.F dip_r_1.F dip_r_2.F dip_r.F converting alpha_1_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_5.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1_6.F to 32-bit integers for BLAS/LAPACK converting alpha_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_10.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_11.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_12.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_13.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_14.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5_9.F to 32-bit integers for BLAS/LAPACK converting alpha_2_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_5.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_3.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6_4.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_6.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_7.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8_1.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2_8.F to 32-bit integers for BLAS/LAPACK converting alpha_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_1_2.F to 32-bit integers for BLAS/LAPACK converting dip_r_1.F to 32-bit integers for BLAS/LAPACK converting dip_r_2.F to 32-bit integers for BLAS/LAPACK converting dip_r.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_alpha' Making 64_to_32 in ccsd_beta gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_beta' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 beta_1_all.F beta_2_all.F beta_3_all.F beta_4_all.F beta_1_3_3_1_1.F beta_1_4_1_2_1.F beta_1_3_1_4_1.F beta_3_7_5_1_1.F beta_3_1_3_1.F beta_3_2_1_2.F beta_1_4_2_2.F beta_1_3_4_1.F beta_1_4_1_4.F beta_1_3_1_7.F beta_3_7_2_1.F beta_3_2_9_2.F beta_3_3_1.F beta_4_1_2.F beta_3_2_3.F beta_3_4_11_1.F beta_3_4_10_3.F beta_1_4_5.F beta_1_3_7.F beta_1_4_1_1_2_1.F beta_4_3.F beta_3_5.F beta_1_4_2_1_1.F beta_1_4_6_3_1.F beta_3_7_4_3_1.F beta_3_2_2_1.F beta_1_4_3_1.F beta_3_2_1_3.F beta_3_4_10_1_1.F beta_1_4_1_5.F beta_1_3_1_8.F beta_3_6_4_1.F beta_3_4_7_1.F beta_4_2_1.F beta_3_2_4.F beta_1_4_6.F beta_3_4_10_4.F beta_1_3_8.F beta_4_4.F beta_3_6.F beta_3_7_4_5_1_1.F beta_1_1_1_1_1.F beta_1_4_1_3_1.F beta_1_3_1_5_1.F beta_3_6_1_2_1.F beta_3_6_7_1_1.F beta_3_7_5_2_1.F beta_3_7_4_3_2.F beta_3_3_1_1.F beta_3_2_2_2.F beta_3_1_4_1.F beta_3_2_1_4.F beta_1_3_5_1.F beta_1_4_3_2.F beta_3_7_3_1.F beta_3_6_4_2.F beta_3_4_1.F beta_3_4_12_1.F beta_3_2_5.F beta_3_4_10_5.F beta_1_4_6_1_1_1.F beta_3_7.F beta_1_3_4_1_1.F beta_1_4_2_2_1.F beta_1_4_1_3_2.F beta_3_4_4_2_1.F beta_3_7_6_1_1.F beta_3_7_4_4_1.F beta_3_2_3_1.F beta_3_4_10_2_1.F beta_3_2_2_3.F beta_1_4_4_1.F beta_1_4_3_3.F beta_3_6_5_1.F beta_3_4_8_1.F beta_4_3_1.F beta_3_4_2.F beta_3_2_6.F beta_3_4_10_6.F beta_1_1_1_2_1.F beta_1_4_3_1_1.F beta_3_2_1_3_1.F beta_1_4_1_4_1.F beta_1_3_1_6_1.F beta_1_1_1_1.F beta_3_4_11_1_1.F beta_1_3_6_1.F beta_3_2_2_4.F beta_1_4_3_4.F beta_3_7_4_1.F beta_4_3_2.F beta_3_5_1.F beta_3_4_3.F beta_3_4_13_1.F beta_3_2_7.F beta_3_4_10_7.F beta_1_1_2_1_1.F beta_3_7_6_2_1.F beta_3_7_4_5_1.F beta_1_1_1_2.F beta_3_4_1_1.F beta_3_2_4_1.F beta_1_4_5_1.F beta_3_4_10_3_1.F beta_1_3_6_2.F beta_3_7_4_2.F beta_3_6_6_1.F beta_3_4_9_1.F beta_4_4_1.F beta_4_3_3.F beta_3_4_4.F beta_3_4_13_2.F beta_3_2_8.F beta_3_4_10_8.F beta_1_4_6_2_1_1.F beta_1_3_8_1_1_1.F beta_1_2_1_1_1.F beta_1_4_3_2_1.F beta_1_3_5_1_1.F beta_3_2_1_4_1.F beta_1_4_1_5_1.F beta_1_3_1_7_1.F beta_3_7_7_1_1.F beta_1_1_2_1.F beta_3_4_1_2.F beta_1_3_7_1.F beta_3_7_5_1.F beta_3_7_4_3.F beta_1_1_1.F beta_3_6_1.F beta_4_3_4.F beta_3_4_14_1.F beta_3_4_5.F beta_3_2_9.F beta_1_4_1_3_2_1.F beta_1_1_2_2_1.F beta_1_4_4_1_1.F beta_3_2_2_3_1.F beta_3_7_6_3_1.F beta_1_2_1_1.F beta_1_1_2_2.F beta_3_4_2_1.F beta_3_2_5_1.F beta_3_4_12_1_1.F beta_3_4_1_3.F beta_1_4_6_1.F beta_3_4_10_4_1.F beta_1_3_7_2.F beta_3_7_5_2.F beta_3_6_7_1.F beta_3_7_4_4.F beta_1_1_2.F beta_3_6_2.F beta_4_3_5.F beta_3_4_14_2.F beta_3_4_6.F beta_3_7_4_1_2_1.F beta_1_1_3_1_1.F beta_1_4_3_3_1.F beta_1_3_1_8_1.F beta_3_2_9_1_1.F beta_2_1_1_1.F beta_1_1_3_1.F beta_4_3_2_1.F beta_3_5_1_1.F beta_1_4_6_2.F beta_1_3_8_1.F beta_3_7_6_1.F beta_3_7_4_5.F beta_1_2_1.F beta_1_1_3.F beta_3_7_1.F beta_3_6_3.F beta_3_4_7.F beta_1_1.F beta_1_4_6_3_1_1.F beta_1_2_2_1_1.F beta_1_3_6_1_1.F beta_3_2_2_4_1.F beta_3_4_10_8_1_1.F beta_3_7_8_1_1.F beta_3_7_6_4_1.F beta_2_1_1_2.F beta_1_2_2_1.F beta_1_1_3_2.F beta_4_3_2_2.F beta_3_4_3_1.F beta_3_2_6_1.F beta_3_4_10_5_1.F beta_1_4_6_3.F beta_3_7_6_2.F beta_2_1_1.F beta_1_2_2.F beta_3_7_2.F beta_3_6_4.F beta_3_4_8.F beta_1_2.F beta_1_3_1_1_1.F beta_1_1_3_2_1.F beta_1_4_5_1_1.F beta_1_4_3_4_1.F beta_3_2_9_2_1.F beta_2_1_2_1.F beta_1_3_1_1.F beta_4_3_3_1.F beta_3_4_3_2.F beta_3_4_13_1_1.F beta_3_7_7_1.F beta_3_7_6_3.F beta_1_3_1.F beta_2_1_2.F beta_1_2_3.F beta_3_7_3.F beta_3_6_5.F beta_3_4_9.F beta_2_1.F beta_1_3.F beta_1_4_1_5_1_1.F beta_1_3_6_2_1.F beta_3_6_4_2_1.F beta_2_1_2_2.F beta_1_3_1_2.F beta_1_2_3_1.F beta_3_6_1_1.F beta_3_4_4_1.F beta_4_3_3_2.F beta_3_2_7_1.F beta_3_4_10_6_1.F beta_3_7_6_4.F beta_2_1_3.F beta_1_3_2.F beta_3_7_4.F beta_3_6_6.F beta_1_4.F beta_3_4_10.F beta_1_3_1_2_1.F beta_1_2_3_1_1.F beta_3_4_1_3_1.F beta_1_3_7_1_1.F beta_3_1_1_1.F beta_1_3_2_1.F beta_2_1_3_1.F beta_1_3_1_3.F beta_4_3_4_1.F beta_3_6_1_2.F beta_3_4_13_2_1.F beta_3_4_4_2.F beta_3_7_8_1.F beta_3_1_1.F beta_1_4_1.F beta_1_3_3.F beta_2_1_4.F beta_3_7_5.F beta_3_6_7.F beta_3_1.F beta_3_4_11.F beta_1_3_2_1_1.F beta_1_4_6_1_1.F beta_3_7_4_1_1.F beta_1_4_1_1.F beta_3_1_1_2.F beta_1_3_1_4.F beta_3_6_2_1.F beta_3_4_14_1_1.F beta_3_4_5_1.F beta_3_2_8_1.F beta_3_4_10_7_1.F beta_3_1_2.F beta_1_4_2.F beta_1_3_4.F beta_3_7_6.F beta_3_2.F beta_3_4_12.F beta_3_7_4_3_2_1.F beta_1_4_1_1_1.F beta_1_3_1_3_1.F beta_1_3_7_2_1.F beta_3_7_4_1_2.F beta_3_1_2_1.F beta_1_4_1_2.F beta_1_3_3_1.F beta_2_1_4_1.F beta_1_3_1_5.F beta_3_7_1_1.F beta_4_3_5_1.F beta_3_4_5_2.F beta_3_2_1.F beta_3_1_3.F beta_1_4_3.F beta_3_4_10_1.F beta_1_3_5.F beta_3_7_7.F beta_4_1.F beta_3_3.F beta_3_4_13.F beta_1_3_1_8_1_1.F beta_1_4_1_1_2.F beta_1_4_6_2_1.F beta_1_3_8_1_1.F beta_3_7_4_2_1.F beta_3_2_1_1.F beta_1_4_2_1.F beta_3_1_2_2.F beta_1_4_1_3.F beta_1_3_1_6.F beta_3_6_3_1.F beta_3_4_14_2_1.F beta_3_4_6_1.F beta_3_2_9_1.F beta_3_4_10_8_1.F beta_4_1_1.F beta_3_2_2.F beta_3_1_4.F beta_1_4_4.F beta_3_4_10_2.F beta_1_3_6.F beta_3_7_8.F beta_4_2.F beta_3_4.F beta_3_4_14.F converting beta_1_all.F to 32-bit integers for BLAS/LAPACK converting beta_2_all.F to 32-bit integers for BLAS/LAPACK converting beta_3_all.F to 32-bit integers for BLAS/LAPACK converting beta_4_all.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_5.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_7.F to 32-bit integers for BLAS/LAPACK converting beta_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_2.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_8.F to 32-bit integers for BLAS/LAPACK converting beta_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_9.F to 32-bit integers for BLAS/LAPACK converting beta_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_5_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6_4.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_6.F to 32-bit integers for BLAS/LAPACK converting beta_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_2_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_7.F to 32-bit integers for BLAS/LAPACK converting beta_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_11.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_7_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_12.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_7_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_2_1_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_3_5_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_5_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_5.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_7.F to 32-bit integers for BLAS/LAPACK converting beta_4_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_3.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_13.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_1_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_6_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_8_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_1_3.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_1_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_6_3_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14_2_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_6_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_9_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_8_1.F to 32-bit integers for BLAS/LAPACK converting beta_4_1_1.F to 32-bit integers for BLAS/LAPACK converting beta_3_2_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_1_4.F to 32-bit integers for BLAS/LAPACK converting beta_1_4_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_10_2.F to 32-bit integers for BLAS/LAPACK converting beta_1_3_6.F to 32-bit integers for BLAS/LAPACK converting beta_3_7_8.F to 32-bit integers for BLAS/LAPACK converting beta_4_2.F to 32-bit integers for BLAS/LAPACK converting beta_3_4.F to 32-bit integers for BLAS/LAPACK converting beta_3_4_14.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_beta' Making 64_to_32 in ccsd_yr gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_yr' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ccsd_y_o1.F ccsd_y_o2.F ccsd_yr1.F ccsd_yr2.F ccsd_y_tr1.F ccsd_y_tr2.F alpha_2_yr.F ccsd_lr_d1_hh.F ccsd_lr_d1_ph.F ccsd_lr_d1_hp.F ccsd_lr_d1_pp.F converting ccsd_y_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_o2.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_yr2.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr1.F to 32-bit integers for BLAS/LAPACK converting ccsd_y_tr2.F to 32-bit integers for BLAS/LAPACK converting alpha_2_yr.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hh.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_ph.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_hp.F to 32-bit integers for BLAS/LAPACK converting ccsd_lr_d1_pp.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_yr' Making 64_to_32 in response gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/response' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 ccsd_o1.F ccsd_o2.F eomccsd_o1.F eomccsd_o2.F ccsdt_o1.F ccsdt_o2.F ccsdt_o3.F ccsdtq_o1.F ccsdtq_o2.F ccsdtq_o3.F ccsdtq_o4.F converting ccsd_o1.F to 32-bit integers for BLAS/LAPACK converting ccsd_o2.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o1.F to 32-bit integers for BLAS/LAPACK converting eomccsd_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdt_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o1.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o2.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o3.F to 32-bit integers for BLAS/LAPACK converting ccsdtq_o4.F to 32-bit integers for BLAS/LAPACK gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/response' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 mm_input.F converting mm_input.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mm' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dntmc' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 gibbs.F converting gibbs.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dntmc' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dangchang' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dangchang' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccca' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../basis -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccca' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dimqm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/config/64_to_32 qmr_real.F dimqm_main.F converting qmr_real.F to 32-bit integers for BLAS/LAPACK converting dimqm_main.F to 32-bit integers for BLAS/LAPACK gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dimqm' gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/64to32blas' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies 64_to_32 : no conversion necessary gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/64to32blas' touch 64_to_32 gmake[2]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src' gmake[2]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src' test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64 || mkdir -p /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64 test -d /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64 || mkdir -p /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64 ./util/util_nwchem_version.bash Making libraries in include gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/include' for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons blas lapack NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm 64to32blas; do \ echo Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/$dir ; \ (cd /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/$dir; gmake include_stamp) ; \ done Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/include' Nothing to be done gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/include' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/basis gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/basis' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p bas.fh basP.fh bas_staticP.fh basdeclsP.fh geobasmapP.fh bas_exndcf.fh bas_exndcf_dec.fh bas_exndcf_sfn.fh bas_ibs.fh bas_ibs_dec.fh bas_ibs_sfn.fh ../NWints/rel/rel_nwc.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/basis' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/geom gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/geom' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p geom.fh geomP.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/geom' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/inp gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/inp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p inp.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/inp' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/input gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/input' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/input' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/pstat gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/pstat' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p pstat.fh pstat_consts.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/pstat' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/rtdb gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in hdbm gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb/hdbm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p hdbm.h /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb/hdbm' cp -p context.h rtdb.h rtdb.fh context.fh rtdb.cray.h /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/task gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/task' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/task' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/symmetry gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/symmetry' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p sym.fh ../NWints/auxil/spcartP.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/symmetry' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/util gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in md5 gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util/md5' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p checksum.h /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util/md5' cp -p util.fh itri.fh msgids.fh numerical_constants.fh stdio.fh printlevels.fh bitops.fh bitops_decls.fh bitops_funcs.fh bgj.fh bgj_common.fh nwc_const.fh errquit.fh util_sgroup.fh util_params.fh utilc_nwchem_srcdir.fh vtune.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/peigs gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs' touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/perfm gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p dist.fh yflop.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/bq gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p bq.fh bq_params.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/cons gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/blas gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/blas' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/blas' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/lapack gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/lapack' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/lapack' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/NWints gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in api gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/api' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p int_tim.fh apiP.fh int_nbf.fh ../../property/prop.fh candoP.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/api' Making include_stamp in int gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/int' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p sh_order.fh case.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/int' Making include_stamp in auxil gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/auxil' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p spcartP.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/auxil' Making include_stamp in ints_sp gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ints_sp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ints_sp' Making include_stamp in deriv gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/deriv' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p ../int/sh_order.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/deriv' Making include_stamp in texas gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/texas' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p screened_op.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/texas' Making include_stamp in ecp gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ecp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p ecp_nwc.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ecp' Making include_stamp in hondo gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/hondo' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p hnd_whermt.fh hnd_rys.fh hnd_tol.fh hnd_pointers.fh hnd_giao.fh hnd_wleg.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/hondo' Making include_stamp in rel gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/rel' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p rel_consts.fh rel_nwc.fh zora.fh modelpotential.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/rel' Making include_stamp in dk gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/dk' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/dk' Making include_stamp in simint gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in module gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/module' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/module' Making include_stamp in source gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/source' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/source' touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint' cp -p api/int_tim.fh api/apiP.fh api/int_nbf.fh auxil/spcartP.fh hondo/hnd_whermt.fh hondo/hnd_rys.fh hondo/hnd_tol.fh ../property/prop.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/atomscf gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/atomscf' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/atomscf' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/ddscf gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in fast gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf/fast' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf/fast' cp -p schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/gradients gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/gradients' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/gradients' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/moints gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/moints' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p moints_stats.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/moints' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/nwdft gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I./include -I./grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in include gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/include' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/include' Making include_stamp in input_dft gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/input_dft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/input_dft' Making include_stamp in scf_dft gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p dftps.fh dft_fdist.fh dft_conv.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft' Making include_stamp in scf_dft_cg gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft_cg' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p ../../ddscf/cosmo.fh ../../ddscf/frozemb.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft_cg' Making include_stamp in so_dft gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/so_dft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/so_dft' Making include_stamp in coulomb gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/coulomb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/coulomb' Making include_stamp in xc gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/xc' cat: /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/tools/build/global/src/ga-wapi.h: No such file or directory /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cat: /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/tools/build/global/src/ga-wapi.h: No such file or directory cp -p xc.fh xc_vdw.fh xc_params.fh xc_hcth.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/xc' Making include_stamp in util gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/util' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/util' Making include_stamp in grid gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/grid' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/grid' Making include_stamp in dftgrad gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/dftgrad' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/dftgrad' Making include_stamp in lr_tddft gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft' Making include_stamp in lr_tddft_grad gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft_grad' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft_grad' Making include_stamp in zora gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/zora' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/zora' Making include_stamp in spec gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/spec' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/spec' Making include_stamp in rt_tddft gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in matutils gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/matutils' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p matutils.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/matutils' Making include_stamp in rtutils gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/rtutils' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/rtutils' Making include_stamp in input gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/input' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/input' Making include_stamp in init gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/init' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/init' Making include_stamp in canorg gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/canorg' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/canorg' Making include_stamp in propagators gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/propagators' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/propagators' Making include_stamp in closedshell gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/closedshell' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/closedshell' Making include_stamp in openshell gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/openshell' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/openshell' cp -p ./headers/rt_tddft.fh ./headers/matutils.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft' cp -p ../ddscf/cosmo.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/rimp2 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rimp2' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rimp2' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/stepper gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/stepper' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/stepper' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/driver gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/driver' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/driver' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/optim gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in deloc gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/deloc' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/deloc' Making include_stamp in mepgs gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/mepgs' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/mepgs' Making include_stamp in tropt gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/tropt' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/tropt' Making include_stamp in neb gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/neb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/neb' Making include_stamp in string gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/string' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/string' touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/cphf gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cphf' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cphf' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/ccsd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccsd' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/vib gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vib' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vib' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/mcscf gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in detci gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf/detci' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf/detci' touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/prepar gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/prepar' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/prepar' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/esp gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/esp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/esp' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/hessian gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in analytic gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in dft gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic/dft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic/dft' cp -p hess_info.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic' touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/selci gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/selci' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/selci' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/dplot gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dplot' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dplot' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/mp2_grad gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mp2_grad' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mp2_grad' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/qhop gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qhop' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qhop' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/property gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/property' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p prop.fh atomdata.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/property' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/solvation gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/solvation' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p ../property/prop.fh ../property/atomdata.fh cosmoP.fh cosmo_params.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/solvation' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/nwpw gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in nwpwlib gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in Parallel gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Parallel' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p stupid_mpi4.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Parallel' Making include_stamp in D1dB gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D1dB' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D1dB' Making include_stamp in D3dB gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D3dB' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D3dB' Making include_stamp in Pneb gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Pneb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Pneb' Making include_stamp in K1dB gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/K1dB' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/K1dB' Making include_stamp in C3dB gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/C3dB' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/C3dB' Making include_stamp in DMatrix gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/DMatrix' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/DMatrix' Making include_stamp in CMatrix gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/CMatrix' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/CMatrix' Making include_stamp in TMatrix gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TMatrix' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TMatrix' Making include_stamp in control gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/control' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/control' Making include_stamp in lattice gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/lattice' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/lattice' Making include_stamp in io gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/io' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/io' Making include_stamp in ion gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in shake gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion/shake' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion/shake' cp -p ../../nwpwlib/utilities/beom.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion' Making include_stamp in pseudopotential gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in paw_atom gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential/paw_atom' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential/paw_atom' touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential' Making include_stamp in utilities gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in paw_utilities gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities/paw_utilities' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities/paw_utilities' cp -p bafdecls.fh btdb.fh beom.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities' Making include_stamp in unitcell gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/unitcell' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/unitcell' Making include_stamp in brillouin_zone gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/brillouin_zone' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/brillouin_zone' Making include_stamp in fractional gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/fractional' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p frac_occ.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/fractional' Making include_stamp in linesearch gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/linesearch' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/linesearch' Making include_stamp in timing gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/timing' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/timing' Making include_stamp in ewald gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ewald' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ewald' Making include_stamp in thermostats gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/thermostats' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/thermostats' Making include_stamp in MetaDynamics gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/MetaDynamics' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/MetaDynamics' Making include_stamp in TAMD gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TAMD' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TAMD' Making include_stamp in FMM gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/FMM' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/FMM' Making include_stamp in md_xs gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in FEFF6L gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs/FEFF6L' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs/FEFF6L' touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs' Making include_stamp in nwpwxc gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/nwpwxc' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p nwpwxc.fh nwpwxc_param.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/nwpwxc' touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib' Making include_stamp in libraryps gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/libraryps' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/libraryps' Making include_stamp in pspw gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in lib gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in psi gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psi' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psi' Making include_stamp in electron gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/electron' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/electron' Making include_stamp in ke gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ke' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ke' Making include_stamp in coulomb gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/coulomb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/coulomb' Making include_stamp in exchange-correlation gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in vdw-DF gmake[8]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[8]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation' Making include_stamp in sic gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/sic' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/sic' Making include_stamp in hfx gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/hfx' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/hfx' Making include_stamp in ion gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ion' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ion' Making include_stamp in psp gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psp' Making include_stamp in Grsm_list gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/Grsm_list' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/Grsm_list' Making include_stamp in aorbs gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/aorbs' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/aorbs' Making include_stamp in truncating_function gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/truncating_function' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/truncating_function' touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib' Making include_stamp in kbpp gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/kbpp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/kbpp' Making include_stamp in makepsi gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/makepsi' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/makepsi' Making include_stamp in cpsd gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cpsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cpsd' Making include_stamp in cgsd gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cgsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cgsd' Making include_stamp in analysis gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in APC gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis/APC' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis/APC' touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis' Making include_stamp in cell_optimize gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cell_optimize' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cell_optimize' Making include_stamp in qmmm gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in pspw_LJ gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_LJ' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_LJ' Making include_stamp in pspw_Q gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Q' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Q' Making include_stamp in pspw_Pair gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Pair' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Pair' Making include_stamp in mmq gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/mmq' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/mmq' touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm' Making include_stamp in charge gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/charge' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/charge' Making include_stamp in dplot gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/dplot' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/dplot' Making include_stamp in lcao gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lcao' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lcao' touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw' Making include_stamp in paw gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in paw_geometry gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_geometry' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_geom.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_geometry' Making include_stamp in paw_ma gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ma' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_ma.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ma' Making include_stamp in paw_utils gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_utils' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p bessel_transform.fh integrate.fh paw_utils.fh paw_params.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_utils' Making include_stamp in paw_basis gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_basis' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_basis.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_basis' Making include_stamp in paw_proj gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_proj' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_proj.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_proj' Making include_stamp in paw_matrix gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_matrix' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_comp_charge_matrix.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_matrix' Making include_stamp in paw_ovlp gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ovlp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_ovlp_data.fh paw_ovlp.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ovlp' Making include_stamp in paw_comp_charge gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_charge' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_comp_charge_data.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_charge' Making include_stamp in paw_special_functions gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_special_functions' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_spher_func.fh paw_gamma_function.fh paw_hypergeom.fh paw_double_factorial.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_special_functions' Making include_stamp in paw_gaunt gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_gaunt' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_gaunt.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_gaunt' Making include_stamp in paw_kinetic gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_kinetic' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_energy_kin_atom.fh paw_matrix_kin_data.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_kinetic' Making include_stamp in paw_vloc gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_vloc' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_energy_vloc_atom.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_vloc' Making include_stamp in paw_ion_potential gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ion_potential' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_energy_ion_atom.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ion_potential' Making include_stamp in paw_core gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_core' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_energy_core_atom.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_core' Making include_stamp in paw_hartree gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_hartree' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_energy_hartree_atom.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_hartree' Making include_stamp in paw_comp_pot gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_pot' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_matrix_comp_pot.fh paw_pot_comp_data.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_pot' Making include_stamp in paw_mult gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_mult' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_mult_data.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_mult' Making include_stamp in paw_nonlocal gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_nonlocal' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_nonlocal' Making include_stamp in paw_density gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_density' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_density' Making include_stamp in paw_xc gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_xc' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_xc.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_xc' Making include_stamp in paw_force gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_force' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_force_data.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_force' Making include_stamp in paw_Grsm_list gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_Grsm_list' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_Grsm_list' Making include_stamp in paw_psi gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_psi' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_psi' Making include_stamp in cpsd gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cpsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cpsd' Making include_stamp in cgsd gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cgsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cgsd' Making include_stamp in cell_optimize gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cell_optimize' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cell_optimize' touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw' Making include_stamp in band gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in minimizer gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/minimizer' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/minimizer' Making include_stamp in structure gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/structure' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/structure' Making include_stamp in cpsd gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cpsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cpsd' Making include_stamp in cell_optimize gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cell_optimize' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cell_optimize' Making include_stamp in kbpp gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/kbpp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/kbpp' Making include_stamp in makepsi gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/makepsi' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/makepsi' Making include_stamp in lib gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in cpsp gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/cpsp' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/cpsp' Making include_stamp in ke gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/ke' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/ke' Making include_stamp in coulomb gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/coulomb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/coulomb' Making include_stamp in electron gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/electron' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/electron' Making include_stamp in psi gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/psi' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/psi' Making include_stamp in hfx gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/hfx' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/hfx' Making include_stamp in Grsm_list gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/Grsm_list' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/Grsm_list' Making include_stamp in borbs gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/borbs' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/borbs' touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib' Making include_stamp in dplot gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/dplot' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/dplot' Making include_stamp in analysis gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in APC gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis/APC' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis/APC' touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis' touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band' Making include_stamp in ofpw gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in minimizer gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/minimizer' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/minimizer' Making include_stamp in cpsd gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/cpsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/cpsd' Making include_stamp in lib gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in chi gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/chi' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/chi' Making include_stamp in electron gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/electron' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/electron' Making include_stamp in ke gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/ke' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/ke' Making include_stamp in WGC gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/WGC' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/WGC' touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib' touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw' touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/fft gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in pfft1.0 gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in fftpack gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/fftpack' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/fftpack' Making include_stamp in pfft gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/pfft' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/pfft' touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0' Making include_stamp in pfftwrap gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfftwrap' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfftwrap' touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/analyz gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/analyz' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/analyz' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/nwmd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwmd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p nwmd_constants.fh md_common.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwmd' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/cafe gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cafe' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cafe' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/space gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/space' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/space' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/drdy gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/drdy' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/drdy' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/vscf gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vscf' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vscf' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/qmmm gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmmm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmmm' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/qmd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p ../util/util_params.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmd' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/etrans gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/etrans' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/etrans' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/tce gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I./include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in include gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/include' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/include' Making include_stamp in diis gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis' Making include_stamp in diis2 gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis2' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis2' Making include_stamp in gradients gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/gradients' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/gradients' Making include_stamp in ccsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd' Making include_stamp in ccsd_lambda gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_lambda' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_lambda' Making include_stamp in eomccsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd' Making include_stamp in ccsd_t gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_t' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_t' Making include_stamp in cr-eomccsd_t gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr-eomccsd_t' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr-eomccsd_t' Making include_stamp in lrh gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lrh' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lrh' Making include_stamp in emb gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/emb' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/emb' Making include_stamp in ccd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccd' Making include_stamp in lccd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccd' Making include_stamp in lccsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccsd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccsd' Making include_stamp in qcisd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/qcisd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/qcisd' Making include_stamp in cc3 gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cc3' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cc3' Making include_stamp in mbpt1 gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt1' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt1' Making include_stamp in mbpt2 gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt2' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt2' Making include_stamp in mbpt3 gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt3' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt3' Making include_stamp in mbpt4 gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt4' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt4' Making include_stamp in cis gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cis' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cis' Making include_stamp in cisd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisd' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisd' Making include_stamp in cisdt gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdt' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdt' Making include_stamp in cisdtq gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdtq' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdtq' Making include_stamp in ccsd_act gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_act' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_act' Making include_stamp in eomccsd_act gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd_act' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd_act' Making include_stamp in cr_eomccsd_t_act gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr_eomccsd_t_act' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr_eomccsd_t_act' Making include_stamp in sort gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/sort' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/sort' Making include_stamp in ducc gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ducc' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ducc' Making include_stamp in ucc4 gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ucc4' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ucc4' Making include_stamp in ccsdt gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt' Making include_stamp in ccsdt_lambda gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt_lambda' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt_lambda' Making include_stamp in eomccsdt gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsdt' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsdt' Making include_stamp in ccsd_alpha gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_alpha' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_alpha' Making include_stamp in ccsd_beta gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_beta' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_beta' Making include_stamp in ccsd_yr gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_yr' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_yr' Making include_stamp in response gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/response' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/response' touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/bq gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' gmake[4]: 'include_stamp' is up to date. gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/mm gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p mm.fh mm_params.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mm' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/cons gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' gmake[4]: 'include_stamp' is up to date. gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/perfm gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' gmake[4]: 'include_stamp' is up to date. gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/dntmc gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dntmc' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dntmc' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/dangchang gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dangchang' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dangchang' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/ccca gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccca' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../basis -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccca' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/dimqm gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dimqm' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p dimqm.fh dimqm_constants.fh /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dimqm' Making include_stamp in /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/64to32blas gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/64to32blas' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/64to32blas' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/include' Making libraries in basis gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/basis' Compiling basis.F... Compiling bas_input.F... Compiling bas_contrib.F... Compiling bas_checksum.F... Compiling basisP.F... Compiling bas_blas.F... Compiling bas_blasP.F... Compiling bas_vec_info.F... basis.F:599:0: dum_stdtag(tmp2:) = star_bas_typ(i_tag) Warning: '__builtin_memset' specified size between 18446744073709551362 and 18446744073709551615 exceeds maximum object size 9223372036854775807 [-Wstringop-overflow=] gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/basis' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/basis' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/basis' Making libraries in geom gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/geom' Compiling geom.F... Compiling geom_input.F... Compiling geom_input2.F... Compiling geom_3d.F... Compiling geom_2d.F... Compiling geom_1d.F... Compiling geom_numcore.F... Compiling geom_checksum.F... Compiling geom_print_ecce.F... Compiling geom_freeze.F... Compiling geom_fragment.F... Compiling geom_getsym.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/geom' Compiling geom_hnd.F... geom_hnd.F:4625:12: 120 DO 260 NR=1,N2 2 IK=IA(NR+1)+NR 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/geom' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/geom' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/geom' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/geom' Making libraries in inp gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/inp' Compiling c_inp.c... Compiling hnd_rdfree.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/inp' Compiling inp.F... inp.F:27:19: data xback /'\\'/ ! Backslash ... note backslash for cpp 1 Warning: Initialization string at (1) was truncated to fit the variable (1/2) inp.F:1370:37: do i = 1, 3*max_width+80+6 2 csave(i,save_level) = cdata(i) 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1373:37: do i = 1, 9+4*max_field 2 isave(i,save_level) = idata(i) 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) inp.F:1407:15: do i = 1, 3*max_width+80+6 2 cdata(i) = csave(i,save_level) 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1410:15: do i = 1, 9+4*max_field 2 idata(i) = isave(i,save_level) 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) Compiling inp_irange.F... Compiling inp_ilist.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/inp' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/inp' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/inp' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/inp' Making libraries in input gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/input' Compiling input_parse.F... Compiling input_mem.F... Compiling memory_input.F... Compiling input_set.F... Compiling input_title.F... Compiling get_inp_file.F... Compiling memory_def.F... Compiling speech_input.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/input' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwctask.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwctask.a input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwctask.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwctask.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwctask.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/input' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/input' Making libraries in pstat gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/pstat' Compiling pstat_init.F... Compiling pstat_term.F... Compiling pstat_alloc.F... Compiling pstat_on.F... Compiling pstat_off.F... Compiling pstat_pr_all.F... Compiling pstat_free.F... Compiling pstat_pr_han.F... Compiling pstat_pr_det.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/pstat' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/pstat' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/pstat' Making libraries in rtdb gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb' Making all in hdbm gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb/hdbm' Compiling rtdb_f2c.c... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb/hdbm' Compiling rtdb.c... rtdb.c: In function 'rtdb_broadcast': rtdb.c:91:11: warning: unused variable 'type' [-Wunused-variable] Integer type = msg_type; ^~~~ Compiling rtdb_seq.c... rtdb_seq.c: In function 'ma_print': rtdb_seq.c:134:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] nprint += fprintf(file, "%d ", ((Integer *) p)[i]); ~^ ~~~~~~~~~~~~~~~~~~ %ld Compiling context.c... context.c:135:13: warning: 'context_print' defined but not used [-Wunused-function] static void context_print() ^~~~~~~~~~~~~ Compiling hdbm.c... Compiling context_f2c.c... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb/hdbm' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb/hdbm' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a hdbm.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb/hdbm' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb/hdbm' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rtdb' Making libraries in task gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/task' Compiling task_energy.F... Compiling task_gradient.F... Compiling task_optimize.F... Compiling task_freq.F... Compiling task_hessian.F... Compiling task_dynamics.F... Compiling task_thermo.F... Compiling task_et.F... Compiling task_save_state.F... Compiling task.F... Compiling task_input.F... Compiling task_shell_input.F... Compiling task_num_grad.F... Compiling task_vscf.F... Compiling task_property.F... Compiling task_dntmc.F... Compiling task_bsse.F... Compiling task_jefftce.F... task_bsse.F:1826:0: filehess=filehess(1:lenhess)//'.'//j_mon_name Warning: '__builtin_memcpy' forming offset [256, 9223372036854775807] is out of the bounds [0, 255] of object 'filehess' with type 'character(kind=1)[1:255]' [-Warray-bounds] task_bsse.F:1712:0: character*(nw_max_path_len) filehess note: 'filehess' declared here task_bsse.F:1789:0: filehess=filehess(1:lenhess)//'.'//j_mon_name Warning: '__builtin_memcpy' forming offset [256, 9223372036854775807] is out of the bounds [0, 255] of object 'filehess' with type 'character(kind=1)[1:255]' [-Warray-bounds] task_bsse.F:1712:0: character*(nw_max_path_len) filehess note: 'filehess' declared here task_bsse.F:1789:0: filehess=filehess(1:lenhess)//'.'//j_mon_name Warning: '__builtin_memset' specified size between 9223372036854776064 and 18446744073709551615 exceeds maximum object size 9223372036854775807 [-Wstringop-overflow=] task_bsse.F:1826:0: filehess=filehess(1:lenhess)//'.'//j_mon_name Warning: '__builtin_memset' specified size between 9223372036854776064 and 18446744073709551615 exceeds maximum object size 9223372036854775807 [-Wstringop-overflow=] Compiling task_ncc.F... Compiling task_rfcf.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/task' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwctask.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwctask.a task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwctask.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwctask.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/task' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/task' Making libraries in symmetry gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/symmetry' Compiling dosymops.F... Compiling gensym.f... Compiling gensym_extra.F... Compiling sym_vec_sym.F... Compiling ludcmp.F... Compiling mprint.f... Compiling opprint.f... Compiling sym_put_geom.F... Compiling spgen.F... Compiling sym_map.F... Compiling sym_nwc.F... Compiling sym_apply_op.F... Compiling sym_get_cart.F... sym_get_cart.F:74:34: sym_get_cart.F:68:72: do j = 1, 4 2 sym_get_cart.F:74:34: $ amatrix_inv(k,j,geom) 1 Warning: Array reference at (1) out of bounds (4 > 3) in loop beginning at (2) Compiling sym_grp_name.F... Compiling sym_ap_cart.F... Compiling sym_cent_map.F... Compiling sym_num_ops.F... Compiling sym_ops_get.F... Compiling sym_pr_all.F... Compiling sym_geom_prj.F... Compiling cross_prod.F... Compiling sym_op_cname.F... Compiling sym_pr_ops.F... Compiling deter3.F... Compiling sym_op_clsfy.F... Compiling sym_tr_bs_op.F... Compiling sym_bs_irrep.F... Compiling sym_op_type.F... Compiling sym_char_tab.F... Compiling sym_pr_ctab.F... Compiling sym_inv_op.F... Compiling sym_mo_adapt.F... Compiling sym_g_sym.F... Compiling wrcell.F... Compiling dctr.f... dctr.f:237:18: dctr.f:234:72: do 20 j=1,4 2 dctr.f:237:18: trans(j)=0d0 1 Warning: Array reference at (1) out of bounds (4 > 3) in loop beginning at (2) Compiling sym_irrepname.F... Compiling sym_abelian.F... Compiling sym_mol.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/symmetry' Compiling sym_sym.F... Compiling sym_mo_ap_op.F... Compiling sym_bas_op.F... Compiling sym_bs_ir_id.F... Compiling sym_sh_pair.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/symmetry' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/symmetry' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/symmetry' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/symmetry' Making libraries in util gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util' Compiling output.f... Compiling errquit.F... Compiling ffflush.F... Compiling print_center.F... Compiling util_flush.F... Compiling util_sgroup.F... Compiling util_host.c... Compiling util_date.c... Compiling input_echo.F... Compiling util_transpose.F... Compiling ga_iter_diag.F... Compiling ga_maxelt.F... Compiling nga_idamax.F... Compiling ga_pcg_min.F... Compiling line_search.F... Compiling ga_orth_vec.F... Compiling ga_ran_fill.F... Compiling ga_mix.F... Compiling ga_list.F... Compiling ga_it_proj.F... Compiling ga_screen.F... Compiling ga_get_diag.F... Compiling fortchar.c... fortchar.c: In function 'fcrcv_': fortchar.c:125:40: warning: array subscript 256 is above array bounds of 'char[256]' [-Warray-bounds] } while ( clength == lenbuf && cstring[clength] != '\0'); ~~~~~~~^~~~~~~~~ Compiling seq_output.F... Compiling ga_mat2col.F... Compiling util_ch_brd.F... Compiling two_ind_trn.F... Compiling util_pname.F... Compiling sread.F... Compiling swrite.F... Compiling banner.f... Compiling util_print.F... cp util_v_stub.F util_version.F Compiling util_module_avail.F... ./util_ga_version.bash Compiling util_nwchem_version.F... Compiling util_nwchem_paper.F... Compiling util_nwchem_srcdir.F... Compiling utilc_nwchem_srcdir.c... Compiling mk_fit_xf.F... Compiling int_2c_ga.F... Compiling ga_local_mdot.F... Compiling util_cpusec.F... Compiling util_wallsec.F... Compiling gather.f... Compiling scatter.f... Compiling ga_trace_dg.F... Compiling lcopy.f... Compiling util_legal.F... Compiling util_file_name.F... Compiling util_io_unit.F... Compiling util_speak.c... Compiling util_rtdb_speak.F... Compiling util_file_copy.c... util_file_copy.c: In function 'util_file_parallel_copy': util_file_copy.c:86:34: warning: unused variable 'msgbuf' [-Wunused-variable] Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; ^~~~~~ util_file_copy.c:86:22: warning: unused variable 'msgnread' [-Wunused-variable] Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; ^~~~~~~~ Compiling util_file_unlink.c... Compiling util_system.c... Compiling util_sleep.c... Compiling util_rtdb_state.F... Compiling ecce_print.c... Compiling util_random.F... Compiling util_job.F... Compiling util_getenv.F... Compiling util_getarg.F... Compiling util_nwchemrc.F... Compiling util_md.F... Compiling util_md_c.c... Compiling util_md_sockets.c... Compiling dgewr.F... Compiling atoi.F... Compiling indint.F... Compiling util_wall_remain.c... Compiling ga_normf.F... Compiling corr_mk_ref.F... Compiling nw_inp_from_file.F... Compiling bgj.F... Compiling movecs_ecce.F... Compiling get_density.F... Compiling moeig_read.F... Compiling util_debug.c... Compiling util_erf.F... Compiling util_cflush.c... Compiling util_ascii_plot.F... Compiling util_length_scale.F... Compiling ga_it2.F... Compiling ga_lkain_ext.F... Compiling ma_print.F... Compiling freeze_input.F... Compiling ga_extra.F... Compiling util_test.F... Compiling util_ga_test.F... Compiling util.c... Compiling util_patch_test.F... Compiling util_ndim_test.F... Compiling util_perf_test.F... Compiling util_test_lu.F... Compiling util_test_eig.F... Compiling util_dra_test.F... Compiling util_eaf_test.F... Compiling util_sf_test.F... Compiling ga_lkain_2cpl3.F... Compiling util_io.F... Compiling util_xyz.F... Compiling util_ma.F... Compiling util_mpinap.c... Compiling ga_lkain_2cpl3_ext.F... Compiling util_dgeev.F... Compiling util_nwsort.F... Compiling util_mygabcast.c... Compiling util_getppn.c... Compiling util_units.F... Compiling util_align.F... Compiling util_intrsc2008.F... ./util_scalapack_info.bash Compiling util_fadvise.c... Compiling ga_conjg.F... Compiling nwmolden.F... Compiling ao_1prdm_read.F... Compiling ao_1prdm_write.F... Compiling util_strips.F... Compiling util_poltensor.F... Compiling util_mygop.F... Compiling linux_cpu.c... Compiling linux_shift.F... Compiling linux_random.c... Compiling erfc.c... Compiling linux_printaff.c... Compiling linux_setfpucw.c... linux_setfpucw.c:13:20: warning: "/*" within comment [-Wcomment] /*#define FPSWAMOD /* this modifies fpswa behavior on ia64 */ gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util' Making all in md5 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util/md5' /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Compiling md5wrap.c... md5wrap.c:116:13: warning: 'checksum_string_to_sum' defined but not used [-Wunused-function] static void checksum_string_to_sum(const char csum[33], unsigned char sum[16]) ^~~~~~~~~~~~~~~~~~~~~~ Compiling md5.c... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util/md5' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a md5wrap.o md5.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util/md5' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util/md5' Compiling ga_matpow.F... Compiling util_pack.F... Compiling util_version.F... Compiling dabssum.F... Compiling util_ga_version.F... Compiling dabsmax.F... Compiling util_scalapack_info.F... Compiling dfill.F... Compiling ifill.f... Compiling mabyte_fill.F... Compiling zfill.f... Compiling ga_it_lsolve.F... ga_it_lsolve.F:235:0: convg_ratio = rnorm/rnorm_prev Warning: 'rnorm_prev' may be used uninitialized in this function [-Wmaybe-uninitialized] ga_it_lsolve.F:77:0: double precision rnorm, rnorm_prev, bnorm, convg_ratio note: 'rnorm_prev' was declared here Compiling ga_it_orth.F... Compiling ga_orthog.F... Compiling idamin.f... Compiling util_jacobi.F... Compiling util_rsg.f... Compiling stpr_sjacobi.F... Compiling util_memcpy.c... Compiling ga_accback.c... util_rsg.f:146:0: if (dabs(e2(l)) .le. dabs(c/h)) go to 210 Warning: 'c' may be used uninitialized in this function [-Wmaybe-uninitialized] util_rsg.f:139:0: h = g * p / r Warning: 'b' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling ga_asymmetr.c... Compiling util_gnxtval.c... Compiling nxtask.F... nxtask.F:125:0: end Warning: '__result_nxtask0' may be used uninitialized in this function [-Wmaybe-uninitialized] nxtask.F:36:0: integer function nxtask0(nproc, ichunk, skipfirst) note: '__result_nxtask0' was declared here nxtask.F:36:0: Warning: '__result_nxtask0' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling util_mirror.F... Compiling ga_copy_dz.F... Compiling dgami.f... dgami.f:351:0: DCSEVL = 0.5D0*(B0-B2) Warning: 'b2' may be used uninitialized in this function [-Wmaybe-uninitialized] dgami.f:937:0: 20 IF (I .EQ. NOS) CALL XERMSG ('SLATEC', 'INITDS', Warning: 'i' may be used uninitialized in this function [-Wmaybe-uninitialized] dgami.f:874:0: IF (X.GT.0.D0) RETURN Warning: '__result_dlngam' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling util_eri_cholesky.F... Compiling util_test_cholesky.F... Compiling util_sillysort.F... Compiling icopy.f... Compiling dsum.f... Compiling dgefa.f... Compiling zsum.f... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o linux_setfpucw.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o icopy.o dsum.o dgefa.o zsum.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcutil.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/util' Making libraries in peigs gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs' (gmake lib ) || exit 1 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs' (cd ./src/c; gmake) gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/src/c' Compiling clustrfix.c... clustrfix.c: In function 'clustrfix_': clustrfix.c:365:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); ~^ ~~~~~~~~~~~~~~~~ %ld clustrfix.c:365:30: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); ~^ ~~~~~~~~~~~~~~~~~~ %ld clustrfix.c:365:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); ~^ ~~~~~~~~~~~~~~~~~~ %ld clustrfix.c:365:42: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); ~^ ~~~~~~~~~~~~~~~~~~ %ld clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] DoublePrecision eps, xj1, xj2; ^~~ clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] Integer me; ^~ clustrfix.c:128:23: warning: variable 'num_all_cls' set but not used [-Wunused-but-set-variable] Integer j, num_cls, num_all_cls; ^~~~~~~~~~~ clustrfix.c:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] Integer jblk, nblk; ^~~~ At top level: clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] static Integer clustr_check(c1, cn, imin, imax) ^~~~~~~~~~~~ Compiling mgscs.c... mgscs.c: In function 'mgscs': mgscs.c:184:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); ~^ ~~ %ld Compiling pscale.c... pscale.c: In function 'pscale_': pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] nproc, msize, maxinfo; ^~~~~~~ pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] nproc, msize, maxinfo; ^~~~~ pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] Integer il, linfo, me, ^~ pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] Integer il, linfo, me, ^~~~~ Compiling clustrxx5.c... clustrxx5.c: In function 'clustrinv5_': clustrxx5.c:128:45: warning: variable 'ival' set but not used [-Wunused-but-set-variable] myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; ^~~~ clustrxx5.c:513:44: warning: 'myindx' may be used uninitialized in this function [-Wmaybe-uninitialized] if( recv_num > 0 && ( myindx % 2 ) == 0 ) { ~~~~~~~~~~~~~~~^~~~ Compiling clustrxx4.c... clustrxx4.c: In function 'clustrinv4_': clustrxx4.c:84:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] DoublePrecision eps; ^~~ clustrxx4.c:78:23: warning: variable 'Zvec' set but not used [-Wunused-but-set-variable] Integer me, naproc, Zvec; ^~~~ clustrxx4.c:78:15: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] Integer me, naproc, Zvec; ^~~~~~ Compiling pstein4.c... pstein4.c: In function 'pstein4': pstein4.c:242:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pstein4.c:242:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pstein4.c:310:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pstein4.c:310:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pstein4.c:474:29: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", ~^ %ld me, isize, neigval ); ~~ pstein4.c:474:58: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", ~^ %ld me, isize, neigval ); ~~~~~ pstein4.c:474:71: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", ~^ %ld me, isize, neigval ); ~~~~~~~ pstein4.c:158:24: warning: variable 'piwork' set but not used [-Wunused-but-set-variable] Integer **piwork, max_sz, sync_proc, numclstr; ^~~~~~ Compiling pstein5.c... pstein5.c: In function 'pstein5': pstein5.c:233:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] printf( " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pstein5.c:233:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] printf( " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pstein5.c:301:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] printf( " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pstein5.c:301:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] printf( " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pstein5.c:446:29: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", ~^ %ld me, isize, neigval ); ~~ pstein5.c:446:58: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", ~^ %ld me, isize, neigval ); ~~~~~ pstein5.c:446:71: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", ~^ %ld me, isize, neigval ); ~~~~~~~ pstein5.c:146:24: warning: variable 'piwork' set but not used [-Wunused-but-set-variable] Integer **piwork, max_sz, sync_proc; ^~~~~~ Compiling peigs_dlasq1.c... peigs_dlasq1.c: In function 'peigs_dlasq1': peigs_dlasq1.c:33:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" error in dlasq1 info = %d \n", *info ); ~^ ~~~~~ %ld peigs_dlasq1.c:34:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] sprintf( filename, "pdspevx.%d", me); ~^ ~~ %ld peigs_dlasq1.c:37:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(file, " %d %20.16f %20.16f \n", iii, dplus[iii], lplus[iii]); ~^ ~~~ %ld peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] Integer i, j, iii, me, nproc; ^~~~~ Compiling b_ortho.c... b_ortho.c: In function 'b_ortho': b_ortho.c:190:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ b_ortho.c:190:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ b_ortho.c:190:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ Compiling chol_bcst.c... chol_bcst.c: In function 'chol_pipe_bcast': chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] Integer *junk, k, isize; ^~~~~ Compiling choleski9.c... choleski9.c: In function 'sub_chol0': choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] long length, root; ^~~~ choleski9.c:292:9: warning: variable 'length' set but not used [-Wunused-but-set-variable] long length, root; ^~~~~~ Compiling ci_entry.c... ci_entry.c: In function 'ci_entry': ci_entry.c:122:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); ~^ ~~~ %ld ci_entry.c:145:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("PeIGS: ci_entry_ :node %d : i < j \n", *me); ~^ ~~~ %ld ci_entry.c: In function 'ci_entry_': ci_entry.c:231:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); ~^ ~~~ %ld ci_entry.c:254:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf( "PeIGS: ci_entry_ :node %d : i < j \n", *me); ~^ ~~~ %ld ci_entry.c: In function 'ci_size_': ci_entry.c:321:20: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); ~^ ~~~ %ld ci_entry.c:321:56: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); ~^ ~~~ %ld ci_entry.c:321:68: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); ~^ ~~~~~~~~~ %ld ci_entry.c:335:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: ci_size_ node %d : Mapping problem\n", *me); ~^ ~~~ %ld ci_entry.c: In function 'fil_mapvec_': ci_entry.c:396:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : first argument is NULL \n", mxmynd_()); ~^ ~~~~~~~~~ %ld ci_entry.c:397:19: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("me = %d fil_mapvec_ \n", *me); ~^ ~~~ %ld ci_entry.c:402:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); ~^ ~~~~~~~~~ %ld ci_entry.c:402:60: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); ~^ ~~~ %ld ci_entry.c:403:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld ci_entry.c:408:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : 2nd argument is NULL i\n", *me); ~^ ~~~ %ld ci_entry.c:409:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld ci_entry.c:413:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : Mapping problem second argument is invalid \n", *me); ~^ ~~~ %ld ci_entry.c:414:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld ci_entry.c:418:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); ~^ ~~~ %ld ci_entry.c:420:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld ci_entry.c:427:42: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : 3rd argument error. \n", *me); ~^ ~~~ %ld ci_entry.c:428:28: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld ci_entry.c:432:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); ~^ ~~~ %ld ci_entry.c:433:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); ~^ ~~~ %ld ci_entry.c:435:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld ci_entry.c:446:37: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); ~^ ~~~ %ld ci_entry.c:447:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] printf("fil_mapvec_ %d \n", i); ~^ ~ %ld Compiling conjug22.c... conjug22.c: In function 'lsl_conjugation2': conjug22.c:95:41: warning: variable 'iptr' set but not used [-Wunused-but-set-variable] Integer *iscrat, *mapvecA, *mapvecB, *iptr; ^~~~ conjug22.c:94:34: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] Integer i, me, nvecsA, nvecsB, linfo, id; ^~~~~ Compiling de_sym.c... de_sym.c: In function 'un_load': de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] Integer indx, jndx, j, k, icount; ^~~~~~ Compiling exit.c... exit.c: In function 'g_exit2_': exit.c:78:35: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, "G_EXIT2: Node %d Error. A routine called g_exit2_, \n", me); ~^ ~~ %ld exit.c:79:65: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, "Message from calling routine: %s node id = %d \n", array, me); ~^ ~~ %ld exit.c: In function 'g_exit_': exit.c:151:36: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, "G_EXIT: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); ~^ ~~ %ld exit.c:164:41: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); ~^ ~~ %ld exit.c:164:51: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); ~^ ~~ %ld Compiling exit2.c... exit2.c: In function 'l_exit_': exit2.c:61:39: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); ~^ ~~ %ld exit2.c:61:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); ~^ ~~~~~ %ld Compiling forLL.c... Compiling forLU.c... Compiling gmax.c... Compiling inverse.c... inverse.c: In function 'pipe_bcst_prev_col': inverse.c:91:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] Integer *junk, *ptr, k, isize; ^~~~~ inverse.c: In function 'inverseL': inverse.c:225:11: warning: variable 'length' set but not used [-Wunused-but-set-variable] Integer length; ^~~~~~ Compiling lu_mxm2.c... Compiling mapdif.c... mapdif.c: In function 'mapdif_': mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] Integer me; ^~ Compiling mapdif1.c... mapdif1.c: In function 'mapdif1_': mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] Integer me; ^~ Compiling matmax.c... Compiling mdif2b.c... Compiling mdiff1.c... Compiling mdiff2.c... Compiling memreq.c... memreq.c: In function 'memreq_': memreq.c:181:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " me = %d error in mapB in memreq.c \n",me); ~^ ~~ %ld memreq.c:197:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " me = %d error in mapZ in memreq.c \n",me); ~^ ~~ %ld memreq.c:109:59: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] Integer nvecsA, nvecsQ, nvecsQ_max, nvecsZ, nvecsZ_max, nvecsB; ^~~~~~ memreq.c:105:32: warning: variable 'ptr_mxm25' set but not used [-Wunused-but-set-variable] ptr_tred2, ptr_mxm25, ptr_pdspevx; ^~~~~~~~~ memreq.c:105:21: warning: variable 'ptr_tred2' set but not used [-Wunused-but-set-variable] ptr_tred2, ptr_mxm25, ptr_pdspevx; ^~~~~~~~~ memreq.c:104:30: warning: variable 'ptr_clustrinv' set but not used [-Wunused-but-set-variable] ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, ^~~~~~~~~~~~~ memreq.c:104:21: warning: variable 'ptr_mgs' set but not used [-Wunused-but-set-variable] ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, ^~~~~~~ memreq.c:103:58: warning: variable 'ptr_inv_it' set but not used [-Wunused-but-set-variable] ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, ^~~~~~~~~~ memreq.c:103:45: warning: variable 'ptr_clustrf' set but not used [-Wunused-but-set-variable] ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, ^~~~~~~~~~~ memreq.c:103:33: warning: variable 'ptr_pstebz' set but not used [-Wunused-but-set-variable] ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, ^~~~~~~~~~ memreq.c:103:21: warning: variable 'ptr_dstebz' set but not used [-Wunused-but-set-variable] ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, ^~~~~~~~~~ memreq.c:100:41: warning: variable 'd_clustrf' set but not used [-Wunused-but-set-variable] d_dstebz, d_pstebz, d_clustrf, d_inv_it, ^~~~~~~~~ Compiling memreq_f.c... memreq_f.c: In function 'fmemreq_': memreq_f.c:168:26: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " me = %d error in mapB in fmemreq.c \n", me); ~^ ~~ %ld memreq_f.c:184:31: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " me = %d error in mapZ in fmemreq.c \n",me); ~^ ~~ %ld Compiling mgs5.c... Compiling mxm25.c... Compiling mxm5x.c... Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... ortho.c: In function 'ortho': ortho.c:162:44: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine ortho m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ ortho.c:162:54: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine ortho m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ ortho.c:162:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine ortho m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ Compiling pdspev_c.c... pdspev_c.c: In function 'pdspev': pdspev_c.c:287:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); ~^ ~~ %ld pdspev_c.c:287:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); ~^ ~~~~~~ %ld pdspev_c.c:315:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pdspev_c.c:315:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspev_c.c:341:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~ pdspev_c.c:341:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspev_c.c:357:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); ~^ ~~ %ld pdspev_c.c:382:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); ~^ ~~ %ld pdspev_c.c:206:28: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] iub, nproc, isize, nvecsA, nvecsZ, linfo, maxinfo, ^~~~~ Compiling pdspevx.c... pdspevx.c: In function 'pdspevx': pdspevx.c:353:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] sprintf( filename, "pdspevx.%d", me); ~^ ~~ %ld pdspevx.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspevx.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspevx.c:455:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pdspevx.c:455:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspevx.c:482:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~ pdspevx.c:482:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspevx.c:498:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); ~^ ~~ %ld pdspevx.c:523:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); ~^ ~~ %ld pdspevx.c:937:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdspevx.c:937:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld pdspevx.c:1068:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdspevx.c:1068:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] Integer iscale; ^~~~~~ pdspevx.c:288:54: warning: variable 'anrm' set but not used [-Wunused-but-set-variable] DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; ^~~~ pdspevx.c:288:48: warning: variable 'rmax' set but not used [-Wunused-but-set-variable] DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; ^~~~ pdspevx.c:288:42: warning: variable 'rmin' set but not used [-Wunused-but-set-variable] DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; ^~~~ pdspevx.c:288:37: warning: variable 'eps' set but not used [-Wunused-but-set-variable] DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; ^~~ pdspevx.c:278:21: warning: variable 'fnormA' set but not used [-Wunused-but-set-variable] DoublePrecision fnormA; ^~~~~~ pdspevx.c:268:39: warning: variable 'nvecsZ2' set but not used [-Wunused-but-set-variable] mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, ^~~~~~~ pdspevx.c:268:7: warning: variable 'mapZ_0' set but not used [-Wunused-but-set-variable] mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, ^~~~~~ pdspevx.c:267:14: warning: variable 'nZ2' set but not used [-Wunused-but-set-variable] isize, nZ2, ^~~ pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] nproc, itmp, ^~~~~ Compiling pdspgv_c.c... pdspgv_c.c: In function 'pdspgv': pdspgv_c.c:320:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspgv_c.c:320:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspgv_c.c:353:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pdspgv_c.c:353:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspgv_c.c:387:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~ pdspgv_c.c:387:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspgv_c.c:407:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); ~^ ~~ %ld pdspgv_c.c:433:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); ~^ ~~ %ld pdspgv_c.c:229:50: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] Integer i, j, k, isize, msize, me, nproc; ^~~~~ Compiling pdspgvx.c... pdspgvx.c: In function 'pdspgvx': pdspgvx.c:423:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspgvx.c:423:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspgvx.c:467:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pdspgvx.c:467:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspgvx.c:513:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~ pdspgvx.c:513:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdspgvx.c:533:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); ~^ ~~ %ld pdspgvx.c:558:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); ~^ ~~ %ld pdspgvx.c:711:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdspgvx.c:711:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld pdspgvx.c:741:38: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdspgvx.c:741:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld pdspgvx.c:829:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdspgvx.c:829:61: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld Compiling pdsptri.c... pdsptri.c: In function 'pdsptri': pdsptri.c:350:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdsptri.c:350:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdsptri.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~ pdsptri.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", ~^ %ld msg, me, -linfo); ~~~~~~ pdsptri.c:534:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdsptri.c:534:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld pdsptri.c:573:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); ~^ ~~ %ld pdsptri.c:573:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); ~^ ~~~~~ %ld Compiling peigs_cmod.f... Compiling pipe_fut.c... pipe_fut.c: In function 'pipe_bcst_fut_col': pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] Integer *junk, *ptr, k, isize; ^~~~~ Compiling pmmLSL.c... pmmLSL.c: In function 'pmmLSL': pmmLSL.c:92:64: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] Integer i, k, me, isize, indx, i_A, i_B, nvecsA, nvecsB; ^~~~~~ Compiling pmmLUL.c... pmmLUL.c: In function 'pmmLUL': pmmLUL.c:96:73: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] Integer i, k, me, isize, isize0, indx, i_A, i_B, nvecsA, nvecsB; ^~~~~~ Compiling pmmlsl2.c... pmmlsl2.c: In function 'pmmlsl2': pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; ^~~~~~~ pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] Integer me, isize, indx, nvecsA, nvecsB; ^~~~~~ Compiling pxerbla.c... pxerbla.c: In function 'pxerbla2_': pxerbla.c:128:37: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, "PXERBLA: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); ~^ ~~ %ld Compiling qsort.c... Compiling resid.c... Compiling residual.c... Compiling sfnorm.c... Compiling shellsort.c... Compiling soluf.c... soluf.c: In function 'upperUF_': soluf.c:91:19: warning: variable 'safeulp' set but not used [-Wunused-but-set-variable] DoublePrecision safeulp; ^~~~~~~ Compiling sonenorm.c... Compiling soort.c... Compiling sort.c... sort.c: In function 'G_count': sort.c:43:18: warning: variable 'k' set but not used [-Wunused-but-set-variable] Integer i, j, *k; ^ Compiling sorteig.c... sorteig.c: In function 'sorteig': sorteig.c:61:27: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] Integer me, naproc, nvecsZ, indx, jj, isaved, jlast, itmp, ^~~~~~ Compiling tred22.c... tred22.c: In function 'tred2': tred22.c:328:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); ~^ ~~ %ld tred22.c:354:43: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] sprintf(msg, "TRED22:Error in argument %d \n", linfo); ~^ ~~~~~ %ld Compiling treesort3.c... treesort3.c: In function 'reduce_list3': treesort3.c:109:12: warning: variable 'junk' set but not used [-Wunused-but-set-variable] Integer *junk, k, num_indx; ^~~~ Compiling tresid.c... tresid.c: In function 'tresid': tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] DoublePrecision t, derror, normA, ulp, dumb; ^~~~ Compiling util.c... Compiling xerbla.c... xerbla.c: In function 'xerbla': xerbla.c:45:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stdout, " processor %d \n", mxmynd_()); ~^ ~~~~~~~~~ %ld xerbla.c:46:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf(stdout, " ** On entry to %s parameter number %d had an illegal value or pointer \n", ~^ %ld string, *info ); ~~~~~ Compiling mapchk.c... mapchk.c: In function 'mapchk_': mapchk.c:59:3: warning: this 'for' clause does not guard... [-Wmisleading-indentation] for (indx = 0; indx < *n; indx++ ) ^~~ mapchk.c:64:6: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for' iptr++; ^~~~ Compiling pdiff.c... pdiff.c: In function 'pdiff': pdiff.c:104:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " Error in pdiff. me = %d not in proclist. \n", me ); ~^ ~~ %ld pdiff.c:131:58: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s %s is different on processors %d and %d \n", ~^ %ld msg1, msg2, me, last_proc ); ~~ pdiff.c:131:65: warning: format '%d' expects argument of type 'int', but argument 6 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s %s is different on processors %d and %d \n", ~^ %ld msg1, msg2, me, last_proc ); ~~~~~~~~~ Compiling pgexit.c... pgexit.c: In function 'pgexit': pgexit.c:85:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d exiting via pgexit. \n", msg, mxmynd_() ); ~^ ~~~~~~~~~ %ld Compiling reducemap.c... Compiling pstebz10.c... pstebz10.c: In function 'pstebz10_': pstebz10.c:244:20: warning: variable 'eps' set but not used [-Wunused-but-set-variable] DoublePrecision eps, tmp; ^~~ pstebz10.c:229:24: warning: variable 'safemn' set but not used [-Wunused-but-set-variable] DoublePrecision ulp, safemn, onenrm; ^~~~~~ pstebz10.c:229:19: warning: variable 'ulp' set but not used [-Wunused-but-set-variable] DoublePrecision ulp, safemn, onenrm; ^~~ pstebz10.c:226:11: warning: variable 'j' set but not used [-Wunused-but-set-variable] Integer j, i, i1split, jsplit, blksz; ^ pstebz10.c:225:5: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] nproc, msize, maxinfo, *i_work, *proclist; ^~~~~ pstebz10.c:512:21: warning: 'nlow' may be used uninitialized in this function [-Wmaybe-uninitialized] numeig = nhigh - nlow + 1; ~~~~~~^~~~~~ pstebz10.c:512:21: warning: 'nhigh' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling pstebz11.c... pstebz11.c: In function 'pstebz11_': pstebz11.c:246:37: warning: unused variable 'shift' [-Wunused-variable] DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; ^~~~~ pstebz11.c:246:26: warning: variable 'reig' set but not used [-Wunused-but-set-variable] DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; ^~~~ pstebz11.c:228:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] nproc, msize, maxinfo, *i_work, *proclist; ^~~~~ pstebz11.c:227:30: warning: unused variable 'k' [-Wunused-variable] iii, m, nlow, me, ncol, k, nn_procs, ^ pstebz11.c:226:34: warning: unused variable 'ival' [-Wunused-variable] nhigh, numeig, irem, isize, ival, linfo, ^~~~ pstebz11.c:225:20: warning: unused variable 'indx' [-Wunused-variable] Integer indx, il, iu, ifakeme, itype, ^~~~ pstebz11.c:221:19: warning: unused variable 'cptr' [-Wunused-variable] char msg[35], *cptr; ^~~~ pstebz11.c:657:33: warning: 'nlow' may be used uninitialized in this function [-Wmaybe-uninitialized] il = irem + ifakeme * ncol + nlow; ~~~~~~~~~~~~~~~~~~~~~~^~~~~~ pstebz11.c:496:21: warning: 'nhigh' may be used uninitialized in this function [-Wmaybe-uninitialized] numeig = nhigh - nlow + 1; ~~~~~~^~~~~~ Compiling inv_it4.c... inv_it4.c: In function 'inv_it4': inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] DoublePrecision xj, sep; ^~~ inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] Integer indrv1, indrv2, indrv3, indrv4, indrv5; ^~~~~~ Compiling inv_it5.c... inv_it5.c: In function 'inv_it5': inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] DoublePrecision xj, sep; ^~~ Compiling inv_it3.c... Compiling peigs_tldlfact.c... Compiling clustrf5.c... clustrf5.c: In function 'clustrf5_': clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] DoublePrecision ortol, xj, sepfine; ^~~~~ clustrf5.c:456:6: warning: 'xjm' may be used uninitialized in this function [-Wmaybe-uninitialized] xj = xjm + pertol; ~~~^~~~~~~~~~~~~~ Compiling r_ritz.c... r_ritz.c: In function 'r_ritz_': r_ritz.c:32:27: warning: variable 'dscrat' set but not used [-Wunused-but-set-variable] DoublePrecision *dptr, *dscrat; ^~~~~~ r_ritz.c:32:20: warning: variable 'dptr' set but not used [-Wunused-but-set-variable] DoublePrecision *dptr, *dscrat; ^~~~ Compiling gdot.F... ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpeigs.a clustrfix.o mgscs.o pscale.o clustrxx5.o clustrxx4.o pstein4.o pstein5.o peigs_dlasq1.o b_ortho.o chol_bcst.o choleski9.o ci_entry.o conjug22.o de_sym.o exit.o exit2.o forLL.o forLU.o gmax.o inverse.o lu_mxm2.o mapdif.o mapdif1.o matmax.o mdif2b.o mdiff1.o mdiff2.o memreq.o memreq_f.o mgs5.o mxm25.o mxm5x.o mxm88.o mxm_ll1.o onenorm.o ortho.o pdspev_c.o pdspevx.o pdspgv_c.o pdspgvx.o pdsptri.o peigs_cmod.o pipe_fut.o pmmLSL.o pmmLUL.o pmmlsl2.o pxerbla.o qsort.o resid.o residual.o sfnorm.o shellsort.o soluf.o sonenorm.o soort.o sort.o sorteig.o tred22.o treesort3.o tresid.o util.o xerbla.o mapchk.o pdiff.o pgexit.o reducemap.o pstebz10.o pstebz11.o inv_it4.o inv_it5.o inv_it3.o peigs_tldlfact.o clustrf5.o r_ritz.o gdot.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpeigs.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/src/c' (cd ./src/f77; gmake) gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/src/f77' Compiling inverm.F... inverm.F:497:0: IC = ICD Warning: 'icd' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling damax.f... Compiling dlaebz2.F... Compiling dstebz3.F... dstebz3.F:461:0: IF( IRANGE.EQ.1 .OR. ( WL.LT.D( IBEGIN )-PIVMIN .AND. WU.GE. Warning: 'wu' may be used uninitialized in this function [-Wmaybe-uninitialized] dstebz3.F:461:0: Warning: 'wl' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling heapsort.f... Compiling neblw2.F... Compiling dspevx2.F... Compiling dgetavec.F... Compiling dgetavec2.f... Compiling dgetavec3.f... Compiling types1.f... Compiling xerbl2.f... Compiling menode.f... Compiling pairup.f... Compiling xstop.f... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/src/f77' (cd ./comm; gmake) gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/comm' Compiling mxbrod.F... mxbrod.F:141:0: dstsrc = mylpos - srcpos Warning: 'srcpos' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling mxcombv1.F... mxcombv1.F:135:0: integer prtnr, prtlpos Warning: 'prtlpos' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling mxsubs.F... mxsubs.F:571:0: ireslt = mxwrit (data,isize,ito,itype) Warning: 'ireslt' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling sum.F... Compiling maxx.F... Compiling peigs_dgop.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/comm' (cd ./ctof; gmake) gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/ctof' Compiling bortho_f.c... bortho_f.c: In function 'bortho_': bortho_f.c:120:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ bortho_f.c:120:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ bortho_f.c:120:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ Compiling mxm25_f.c... Compiling mxm5x_f.c... Compiling mxm88_f.c... Compiling onenorm_f.c... Compiling ortho_f.c... ortho_f.c: In function 'ortho_': ortho_f.c:115:46: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ ortho_f.c:115:56: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ ortho_f.c:115:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", ~^ %ld *m, *n, me); ~~ Compiling pdspev_f.c... pdspev_f.c: In function 'pdspev_': pdspev_f.c:147:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspev_f.c:147:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspev_f.c:159:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); ~^ ~~ %ld Compiling pdspevx_f.c... pdspevx_f.c: In function 'pdspevx_': pdspevx_f.c:170:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspevx_f.c:170:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspevx_f.c:182:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); ~^ ~~ %ld Compiling pdspgv_f.c... pdspgv_f.c: In function 'pdspgv_': pdspgv_f.c:159:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspgv_f.c:159:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspgv_f.c:172:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); ~^ ~~ %ld Compiling pdspgvx_f.c... pdspgvx_f.c: In function 'pdspgvx_': pdspgvx_f.c:179:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~ pdspgvx_f.c:179:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", ~^ %ld msg, me, -linfo ); ~~~~~~ pdspgvx_f.c:192:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); ~^ ~~ %ld Compiling resid_f.c... Compiling residual_f.c... Compiling sonenorm_f.c... Compiling tresid_f.c... Compiling choleski_f.c... Compiling inverse_f.c... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs/ctof' rm -f libpeigs.a ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpeigs.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpeigs.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs' touch peigs_stamp.LINUX64 gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/peigs' Making libraries in perfm gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' Compiling perfm_start.F... Compiling perfm_end.F... Compiling perfm_flop.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' Compiling dist.c... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libperfm.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libperfm.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libperfm.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libperfm.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' Making libraries in bq gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' Compiling bq_input.F... Compiling bq_data.F... Compiling bq_rtdb.F... Compiling bq_main.F... Compiling bq_force.F... Compiling bq_checksum.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libbq.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libbq.a bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libbq.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libbq.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libbq.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' Making libraries in cons gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' Compiling cons_input.F... Compiling cons.F... Compiling cons_utils.F... Compiling cons_springs.F... Compiling cons_rtdb.F... Compiling cons_data.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcons.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcons.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcons.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcons.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' Making libraries in blas gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/blas' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/blas' Compiling double/dasum.f... Compiling double/daxpy.f... Compiling double/dcopy.f... Compiling double/ddot.f... Compiling double/dgemm.F... Compiling double/dgemv.f... Compiling double/dger.f... Compiling double/dnrm2.f... Compiling double/drot.f... Compiling double/dscal.f... Compiling double/dspmv.f... Compiling double/dspr.f... double/dspr.f:152:0: INTEGER I,INFO,IX,J,JX,K,KK,KX Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dswap.f... Compiling double/dsymm.f... Compiling double/dsymv.f... Compiling double/dsyr2.f... double/dsyr2.f:172:0: INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY Warning: 'ky' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dsyr2.f:172:0: Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dsyr2.f:172:0: Warning: 'jy' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dsyr2.f:172:0: Warning: 'jx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dsyr2k.f... Compiling double/dsyrk.f... Compiling double/dtrmm.f... Compiling double/dtrmv.f... double/dtrmv.f:171:0: INTEGER I,INFO,IX,J,JX,KX Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dtrsm.f... Compiling double/dtrsv.f... Compiling double/dznrm2.f... double/dtrsv.f:167:0: INTEGER I,INFO,IX,J,JX,KX Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/idamax.f... Compiling double/izamax.f... Compiling double/drotg.f... Compiling double/lsame.f... Compiling double/zaxpy.f... Compiling double/dcabs1.f... Compiling double/zcopy.f... Compiling double/zdrot.f... Compiling double/zrotg.f... Compiling double/zdotc.f... Compiling double/zdscal.f... Compiling double/zgemm.f... Compiling double/zgemv.f... Compiling double/zgerc.f... Compiling double/zhemm.f... Compiling double/zhemv.f... Compiling double/zher2.f... double/zher2.f:175:0: INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY Warning: 'ky' may be used uninitialized in this function [-Wmaybe-uninitialized] double/zher2.f:175:0: Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] double/zher2.f:269:0: JY = JY + INCY Warning: 'jy' may be used uninitialized in this function [-Wmaybe-uninitialized] double/zher2.f:268:0: JX = JX + INCX Warning: 'jx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/zher2k.f... Compiling double/zherk.f... Compiling double/zscal.f... Compiling double/zswap.f... Compiling double/ztrmm.f... Compiling double/ztrmv.f... Compiling double/ztrsm.f... double/ztrmv.f:253:0: JX = JX + INCX Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/ztrsv.f... double/ztrsv.f:325:0: JX = JX + INCX Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/zsyrk.f... Compiling double/zsyr2k.f... Compiling double/zsymm.f... Compiling double/zher.f... double/zher.f:236:0: JX = JX + INCX Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/xerbla.F... Compiling double/zgeru.f... Compiling double/dzasum.f... Compiling double/dsyr.f... double/dsyr.f:157:0: INTEGER I,INFO,IX,J,JX,KX Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/zdotu.f... Compiling single/sasum.f... Compiling single/saxpy.f... Compiling single/scopy.f... Compiling single/sdot.f... Compiling single/sgemm.f... Compiling single/sgemv.f... Compiling single/sger.f... Compiling single/snrm2.f... Compiling single/srot.f... Compiling single/sscal.f... Compiling single/sspmv.f... Compiling single/sspr.f... single/sspr.f:152:0: INTEGER I,INFO,IX,J,JX,K,KK,KX Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling single/sswap.f... Compiling single/ssymm.f... Compiling single/ssymv.f... Compiling single/ssyr2.f... single/ssyr2.f:172:0: INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY Warning: 'ky' may be used uninitialized in this function [-Wmaybe-uninitialized] single/ssyr2.f:172:0: Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] single/ssyr2.f:172:0: Warning: 'jy' may be used uninitialized in this function [-Wmaybe-uninitialized] single/ssyr2.f:172:0: Warning: 'jx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling single/ssyr2k.f... Compiling single/ssyrk.f... Compiling single/strmm.f... Compiling single/strmv.f... single/strmv.f:171:0: INTEGER I,INFO,IX,J,JX,KX Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling single/strsm.f... Compiling single/strsv.f... single/strsv.f:173:0: INTEGER I,INFO,IX,J,JX,KX Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling single/scnrm2.f... Compiling single/isamax.f... Compiling single/scabs1.f... Compiling single/caxpy.f... Compiling single/ccopy.f... Compiling single/csrot.f... Compiling single/icamax.f... Compiling single/cdotc.f... Compiling single/csscal.f... Compiling single/cgemm.f... Compiling single/cgemv.f... Compiling single/cgerc.f... Compiling single/chemm.f... Compiling single/chemv.f... Compiling single/cher2.f... single/cher2.f:175:0: INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY Warning: 'ky' may be used uninitialized in this function [-Wmaybe-uninitialized] single/cher2.f:175:0: Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] single/cher2.f:269:0: JY = JY + INCY Warning: 'jy' may be used uninitialized in this function [-Wmaybe-uninitialized] single/cher2.f:175:0: INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY Warning: 'jx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling single/cher2k.f... Compiling single/cherk.f... Compiling single/cscal.f... Compiling single/cswap.f... Compiling single/ctrmm.f... Compiling single/ctrmv.f... single/ctrmv.f:253:0: JX = JX + INCX Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling single/ctrsm.f... Compiling single/ctrsv.f... Compiling single/cgeru.f... Compiling single/scasum.f... single/ctrsv.f:173:0: INTEGER I,INFO,IX,J,JX,KX Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling single/cdotu.f... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/blas' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/blas' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcblas.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcblas.a dasum.o daxpy.o dcopy.o ddot.o dgemm.o dgemv.o dger.o dnrm2.o drot.o dscal.o dspmv.o dspr.o dswap.o dsymm.o dsymv.o dsyr2.o dsyr2k.o dsyrk.o dtrmm.o dtrmv.o dtrsm.o dtrsv.o dznrm2.o idamax.o izamax.o drotg.o lsame.o zaxpy.o dcabs1.o zcopy.o zdrot.o zrotg.o zdotc.o zdscal.o zgemm.o zgemv.o zgerc.o zhemm.o zhemv.o zher2.o zher2k.o zherk.o zscal.o zswap.o ztrmm.o ztrmv.o ztrsm.o ztrsv.o zsyrk.o zsyr2k.o zsymm.o zher.o xerbla.o zgeru.o dzasum.o dsyr.o zdotu.o sasum.o saxpy.o scopy.o sdot.o sgemm.o sgemv.o sger.o snrm2.o srot.o sscal.o sspmv.o sspr.o sswap.o ssymm.o ssymv.o ssyr2.o ssyr2k.o ssyrk.o strmm.o strmv.o strsm.o strsv.o scnrm2.o isamax.o scabs1.o caxpy.o ccopy.o csrot.o icamax.o cdotc.o csscal.o cgemm.o cgemv.o cgerc.o chemm.o chemv.o cher2.o cher2k.o cherk.o cscal.o cswap.o ctrmm.o ctrmv.o ctrsm.o ctrsv.o cgeru.o scasum.o cdotu.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcblas.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcblas.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwcblas.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/blas' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/blas' Making libraries in lapack gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/lapack' Compiling double/dlamch.f... Compiling double/dlaisnan.f... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/lapack' Compiling double/dbdsqr.f... Compiling double/dgebd2.f... Compiling double/dgebrd.f... Compiling double/dgelq2.f... Compiling double/dgelqf.f... Compiling double/dgeqr2.f... Compiling double/dgeqrf.f... Compiling double/dgesv.f... Compiling double/dgesvd.f... Compiling double/dgetf2.f... Compiling double/dgetrf.f... Compiling double/dgetrs.f... Compiling double/disnan.f... Compiling double/dlahr2.f... double/dlahr2.f:305:0: A( K+NB, NB ) = EI Warning: 'ei' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dgesvd.f:3458:0: WORK( I+1 ) = WORK( I+IE-1 ) Warning: 'ie' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dgesvd.f:3201:0: IF( LWORK.GE.WRKBL+LDA*M ) THEN Warning: 'wrkbl' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dgesvd.f:2063:0: IF( N.GE.MNTHR ) THEN Warning: 'mnthr' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dgesvd.f:237:0: INTEGER BDSPAC, BLK, CHUNK, I, IE, IERR, IR, ISCL, Warning: 'bdspac' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlaqr0.f... Compiling double/dlabrd.f... Compiling double/dlacon.f... Compiling double/dlacpy.f... Compiling double/dladiv.f... Compiling double/dlae2.f... Compiling double/dlaev2.f... Compiling double/dlaexc.f... Compiling double/dlagtf.f... Compiling double/dlagts.f... Compiling double/dgels.F... Compiling double/dlange.f... double/dlange.f:138:0: DOUBLE PRECISION SCALE, SUM, VALUE, TEMP Warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlansp.f... double/dlansp.f:138:0: DOUBLE PRECISION ABSA, SCALE, SUM, VALUE Warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dtrti2.f... Compiling double/dlanst.f... double/dlanst.f:124:0: DOUBLE PRECISION ANORM, SCALE, SUM Warning: 'anorm' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlansy.f... double/dlansy.f:146:0: DOUBLE PRECISION ABSA, SCALE, SUM, VALUE Warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlapy2.f... Compiling double/dlapy3.f... Compiling double/dlarf.f... Compiling double/dlarfb.f... Compiling double/dlarfg.f... Compiling double/dlarft.f... Compiling double/dlarnv.f... Compiling double/dlartg.f... Compiling double/dlaruv.f... double/dlaruv.f:121:0: INTEGER I, I1, I2, I3, I4, IT1, IT2, IT3, IT4, J Warning: 'it4' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaruv.f:121:0: Warning: 'it3' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaruv.f:121:0: Warning: 'it2' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaruv.f:121:0: Warning: 'it1' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlas2.f... Compiling double/dlasy2.f... Compiling double/dlacn2.f... Compiling double/dlaqr1.f... Compiling double/dlaqr2.f... Compiling double/dlaqr3.f... Compiling double/dlaqr4.f... Compiling double/dlaqr5.f... Compiling double/dlascl.f... Compiling double/dlaset.f... Compiling double/dlasr.f... Compiling double/dlasrt.f... Compiling double/dlassq.f... Compiling double/dlasv2.f... double/dlasv2.f:320:0: SSMIN = SIGN( SSMIN, TSIGN*SIGN( ONE, F )*SIGN( ONE, H ) ) Warning: 'tsign' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlaswp.f... Compiling double/dlatrd.f... Compiling double/dlauu2.f... Compiling double/dlauum.f... Compiling double/dorg2l.f... Compiling double/dorg2r.f... Compiling double/dormhr.f... Compiling double/dgtsv.f... Compiling double/dorgbr.f... Compiling double/dorgl2.f... Compiling double/dorglq.f... Compiling double/dorgql.f... double/dorgql.f:220:0: IWS = LDWORK*NB Warning: 'nb' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dorgqr.f... Compiling double/dorgtr.f... Compiling double/dorm2r.f... Compiling double/dormbr.f... Compiling double/dorml2.f... Compiling double/dormlq.f... Compiling double/dormqr.f... Compiling double/dpotf2.f... Compiling double/dpotrf.f... Compiling double/dpotri.f... Compiling double/dspcon.f... Compiling double/dsprfs.f... Compiling double/dspsvx.f... Compiling double/dsptrf.f... Compiling double/dsptrs.f... Compiling double/dsteqr.f... Compiling double/dsterf.f... Compiling double/dsyev.f... Compiling double/dsygs2.f... Compiling double/dsygst.f... Compiling double/dsygv.f... Compiling double/dsytd2.f... Compiling double/dsytrd.f... Compiling double/dtrexc.f... Compiling double/dtrtri.f... Compiling double/dlasq1.f... Compiling double/dlasq2.f... Compiling double/dlasq3.f... Compiling double/dlasq5.f... Compiling double/dlasq4.f... double/dlasq4.f:420:0: TAU = S Warning: 's' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlasq6.f... Compiling double/dposv.f... Compiling double/dtrtrs.f... Compiling double/dpotrs.f... Compiling double/dlaebz.f... Compiling double/dstedc.f... double/dstedc.f:215:0: $ LWMIN, M, SMLSIZ, START, STOREZ, STRTRW Warning: 'lwmin' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dstedc.f:483:0: IWORK( 1 ) = LIWMIN Warning: 'liwmin' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlaed0.f... double/dlaed0.f:197:0: $ IGIVPT, INDXQ, IPERM, IPRMPT, IQ, IQPTR, IWREM, Warning: 'iwrem' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaed0.f:197:0: Warning: 'iqptr' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaed0.f:197:0: Warning: 'iq' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaed0.f:197:0: Warning: 'iprmpt' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaed0.f:197:0: Warning: 'iperm' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaed0.f:197:0: Warning: 'igivpt' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaed0.f:196:0: INTEGER CURLVL, CURPRB, CURR, I, IGIVCL, IGIVNM, Warning: 'igivcl' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlaed1.f... Compiling double/dlaed2.f... double/dlaed2.f:243:0: $ N2, NJ, PJ Warning: 'pj' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlaed3.f... Compiling double/dlaed4.f... Compiling double/dlaed5.f... Compiling double/dlaed6.f... Compiling double/dlaed7.f... Compiling double/dlaed8.f... double/dlaed8.f:272:0: INTEGER I, IMAX, J, JLAM, JMAX, JP, K2, N1, N1P1, N2 Warning: 'jlam' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlaed9.f... Compiling double/dlamrg.f... Compiling double/dlaeda.f... Compiling double/ilaenv.f... Compiling double/ieeeck.f... Compiling double/lsamen.f... Compiling double/iladlr.f... Compiling double/iladlc.f... Compiling double/ilazlc.f... Compiling double/ilazlr.f... Compiling double/iparmq.f... double/iparmq.f:309:0: IF( NS.GE.KACMIN ) Warning: 'ns' may be used uninitialized in this function [-Wmaybe-uninitialized] double/iparmq.f:293:0: IF( NH.LE.KNWSWP ) THEN Warning: 'nh' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/zbdsqr.f... Compiling double/zgebd2.f... Compiling double/zgebrd.f... Compiling double/zgelq2.f... Compiling double/zgelqf.f... Compiling double/zgeqr2.f... Compiling double/zgeqrf.f... Compiling double/zgesvd.f... Compiling double/zheev.f... Compiling double/zhegs2.f... Compiling double/zhegst.f... double/zgesvd.f:3394:0: IF( LWORK.GE.WRKBL+LDA*M ) THEN Warning: 'wrkbl' may be used uninitialized in this function [-Wmaybe-uninitialized] double/zgesvd.f:2165:0: IF( N.GE.MNTHR ) THEN Warning: 'mnthr' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/zhegv.f... Compiling double/zhetd2.f... Compiling double/zhetrd.f... Compiling double/zlacgv.f... Compiling double/zladiv.f... Compiling double/zlanhe.f... double/zlanhe.f:149:0: DOUBLE PRECISION ABSA, SCALE, SUM, VALUE Warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/zlarf.f... Compiling double/zlarfb.f... Compiling double/zlarfg.f... Compiling double/zlabrd.f... Compiling double/zlarft.f... Compiling double/zlascl.f... Compiling double/zlaset.f... Compiling double/zlasr.f... Compiling double/zlassq.f... Compiling double/zlatrd.f... Compiling double/zpotf2.f... Compiling double/zpotrf.f... Compiling double/zsteqr.f... Compiling double/zung2l.f... Compiling double/zung2r.f... Compiling double/zungql.f... double/zungql.f:220:0: IWS = LDWORK*NB Warning: 'nb' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/zspcon.f... Compiling double/zspmv.f... Compiling double/zspr.f... double/zspr.f:156:0: INTEGER I, INFO, IX, J, JX, K, KK, KX Warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/zsprfs.f... Compiling double/zspsvx.f... Compiling double/zsptrf.f... Compiling double/zsptrs.f... Compiling double/zlacon.f... Compiling double/zlacpy.f... Compiling double/zlansp.f... double/zlansp.f:140:0: DOUBLE PRECISION ABSA, SCALE, SUM, VALUE Warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/zungbr.f... Compiling double/zungl2.f... Compiling double/zunglq.f... Compiling double/zungqr.f... Compiling double/zungtr.f... Compiling double/zunm2r.f... Compiling double/zunmbr.f... Compiling double/zunml2.f... Compiling double/zunmlq.f... Compiling double/zunmqr.f... Compiling double/zlarfx.f... Compiling double/zunghr.f... Compiling double/zlatrs.f... Compiling double/zgebak.f... Compiling double/zgebal.f... Compiling double/zgeev.f... Compiling double/zgehd2.f... Compiling double/zgehrd.f... double/zgehrd.f:300:0: DO 40 I = ILO, IHI - 1 - NX, NB Warning: 'nx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/zgesv.f... Compiling double/zgetf2.f... Compiling double/zgetrf.f... Compiling double/zgetrs.f... Compiling double/zhseqr.f... Compiling double/zlahqr.f... Compiling double/zlahrd.f... Compiling double/zlange.f... double/zlahqr.f:229:0: INTEGER I, I1, I2, ITS, J, JHI, JLO, K, L, M, NH, NZ Warning: 'i2' may be used uninitialized in this function [-Wmaybe-uninitialized] double/zlange.f:140:0: DOUBLE PRECISION SCALE, SUM, VALUE, TEMP Warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/zlanhs.f... double/zlanhs.f:134:0: DOUBLE PRECISION SCALE, SUM, VALUE Warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlabad.f... Compiling double/ztrevc.f... Compiling double/zlaswp.f... Compiling double/zrot.f... Compiling double/zlaqr3.f... Compiling double/ztrexc.f... Compiling double/zunmhr.f... Compiling double/zlahr2.f... double/zlahr2.f:206:0: COMPLEX*16 EI Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] double/zlahr2.f:206:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/zlaqr0.f... Compiling double/zlaqr4.f... Compiling double/zlartg.f... Compiling double/zlaqr1.f... Compiling double/xerbla.f... Compiling double/zlaqr5.f... Compiling double/zlaqr2.f... Compiling double/lsame.f... Compiling double/dgeev.f... Compiling double/dgeevx.f... Compiling double/dgebak.f... Compiling double/dgebal.f... Compiling double/dgehrd.f... double/dgehrd.f:300:0: DO 40 I = ILO, IHI - 1 - NX, NB Warning: 'nx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dtrsna.f... Compiling double/dlaqtr.f... Compiling double/dhseqr.f... Compiling double/dorghr.f... Compiling double/dtrevc.f... Compiling double/dlaln2.f... Compiling double/dlahqr.f... Compiling double/dgehd2.f... Compiling double/dlanhs.f... double/dlahqr.f:590:0: $ CS, SN ) Warning: 'i2' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlanhs.f:132:0: DOUBLE PRECISION SCALE, SUM, VALUE Warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlarfx.f... Compiling double/dlahrd.f... double/dlahrd.f:282:0: A( K+NB, NB ) = EI Warning: 'ei' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlanv2.f... Compiling double/dlarra.f... Compiling double/dlarrb.f... Compiling double/dlarrc.f... Compiling double/dlarrd.f... double/dlarrd.f:737:0: IF( W( JE ).GE.WUL .AND. IDISCU.GT.0 ) THEN Warning: 'wul' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlarrd.f:720:0: IF( W( JE ).LE.WLU .AND. IDISCL.GT.0 ) THEN Warning: 'wlu' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling double/dlarrf.f... Compiling double/dlarrk.f... Compiling double/dlarrv.f... Compiling double/dlar1v.f... Compiling double/dlaneg.f... Compiling double/dgelss.f... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/lapack' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/lapack' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwclapack.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwclapack.a dlamch.o dlaisnan.o dbdsqr.o dgebd2.o dgebrd.o dgelq2.o dgelqf.o dgeqr2.o dgeqrf.o dgesv.o dgesvd.o dgetf2.o dgetrf.o dgetrs.o disnan.o dlahr2.o dlaqr0.o dlabrd.o dlacon.o dlacpy.o dladiv.o dlae2.o dlaev2.o dlaexc.o dlagtf.o dlagts.o dgels.o dlange.o dlansp.o dtrti2.o dlanst.o dlansy.o dlapy2.o dlapy3.o dlarf.o dlarfb.o dlarfg.o dlarft.o dlarnv.o dlartg.o dlaruv.o dlas2.o dlasy2.o dlacn2.o dlaqr1.o dlaqr2.o dlaqr3.o dlaqr4.o dlaqr5.o dlascl.o dlaset.o dlasr.o dlasrt.o dlassq.o dlasv2.o dlaswp.o dlatrd.o dlauu2.o dlauum.o dorg2l.o dorg2r.o dormhr.o dgtsv.o dorgbr.o dorgl2.o dorglq.o dorgql.o dorgqr.o dorgtr.o dorm2r.o dormbr.o dorml2.o dormlq.o dormqr.o dpotf2.o dpotrf.o dpotri.o dspcon.o dsprfs.o dspsvx.o dsptrf.o dsptrs.o dsteqr.o dsterf.o dsyev.o dsygs2.o dsygst.o dsygv.o dsytd2.o dsytrd.o dtrexc.o dtrtri.o dlasq1.o dlasq2.o dlasq3.o dlasq5.o dlasq4.o dlasq6.o dposv.o dtrtrs.o dpotrs.o dlaebz.o dstedc.o dlaed0.o dlaed1.o dlaed2.o dlaed3.o dlaed4.o dlaed5.o dlaed6.o dlaed7.o dlaed8.o dlaed9.o dlamrg.o dlaeda.o ilaenv.o ieeeck.o lsamen.o iladlr.o iladlc.o ilazlc.o ilazlr.o iparmq.o zbdsqr.o zgebd2.o zgebrd.o zgelq2.o zgelqf.o zgeqr2.o zgeqrf.o zgesvd.o zheev.o zhegs2.o zhegst.o zhegv.o zhetd2.o zhetrd.o zlacgv.o zladiv.o zlanhe.o zlarf.o zlarfb.o zlarfg.o zlabrd.o zlarft.o zlascl.o zlaset.o zlasr.o zlassq.o zlatrd.o zpotf2.o zpotrf.o zsteqr.o zung2l.o zung2r.o zungql.o zspcon.o zspmv.o zspr.o zsprfs.o zspsvx.o zsptrf.o zsptrs.o zlacon.o zlacpy.o zlansp.o zungbr.o zungl2.o zunglq.o zungqr.o zungtr.o zunm2r.o zunmbr.o zunml2.o zunmlq.o zunmqr.o zlarfx.o zunghr.o zlatrs.o zgebak.o zgebal.o zgeev.o zgehd2.o zgehrd.o zgesv.o zgetf2.o zgetrf.o zgetrs.o zhseqr.o zlahqr.o zlahrd.o zlange.o zlanhs.o dlabad.o ztrevc.o zlaswp.o zrot.o zlaqr3.o ztrexc.o zunmhr.o zlahr2.o zlaqr0.o zlaqr4.o zlartg.o zlaqr1.o xerbla.o zlaqr5.o zlaqr2.o lsame.o dgeev.o dgeevx.o dgebak.o dgebal.o dgehrd.o dtrsna.o dlaqtr.o dhseqr.o dorghr.o dtrevc.o dlaln2.o dlahqr.o dgehd2.o dlanhs.o dlarfx.o dlahrd.o dlanv2.o dlarra.o dlarrb.o dlarrc.o dlarrd.o dlarrf.o dlarrk.o dlarrv.o dlar1v.o dlaneg.o dgelss.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwclapack.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwclapack.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwclapack.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/lapack' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/lapack' Making libraries in NWints gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints' Compiling intgrl_input.F... Making all in api gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/api' Compiling cando_sp.F... cando_sp.F:294:0: #define USE_TEXAS Warning: "USE_TEXAS" redefined :9:0: note: this is the location of the previous definition Compiling exact_mem.F... Compiling exactd_mem.F... Compiling int_1cg.F... Compiling int_1e3ov.F... Compiling int_1estv.F... Compiling int_2e2c.F... int_2e2c.F:58:0: #define USE_TEXAS Warning: "USE_TEXAS" redefined :9:0: note: this is the location of the previous definition Compiling int_2e3c.F... Compiling int_acc.F... Compiling int_canon.F... Compiling int_chk_init.F... Compiling int_chk_sh.F... Compiling int_func_c.F... Compiling int_init.F... Compiling int_l1e3ov.F... Compiling int_l1eall.F... Compiling int_l1eh1.F... Compiling int_l1eke.F... Compiling int_l1eov.F... Compiling int_l1epe.F... Compiling int_l2e2c.F... Compiling int_l2e3c.F... Compiling int_lgen1e.F... Compiling int_mem.F... Compiling int_mpolel.F... Compiling int_mpole.F... Compiling int_nint.F... Compiling int_pgen1e.F... Compiling int_projpole.F... Compiling int_term.F... Compiling intd_1eh1.F... Compiling intd_1eov.F... Compiling intd_1eke.F... Compiling int_1er.F... Compiling intd_2e2c.F... Compiling intd_2e3c.F... Compiling intd_2e4c.F... Compiling intd_init.F... Compiling intd_1e3ov.F... Compiling intbd_init4c.F... Compiling intbd_2e4c.F... Compiling intbdd_init4c.F... Compiling intbdd_2e4c.F... Compiling intd_mpolel.F... Compiling intdd_1eh1.F... Compiling intdd_1eov.F... Compiling intdd_2e2c.F... Compiling intdd_2e4c.F... Compiling intdd_2e3c.F... Compiling intdd_init.F... Compiling intp_1eke.F... Compiling intp_1eov.F... Compiling intp_1epe.F... Compiling intp_2e2c.F... Compiling intp_2e3c.F... Compiling intp_mpole.F... Compiling intp_1e1cpe.F... Compiling intp_2e3ct.F... Compiling intp_mpolel.F... Compiling intp_txyz.F... Compiling intpd_1e1cpe.F... Compiling intpd_1eke.F... Compiling intpd_1eov.F... Compiling intpd_1epe.F... Compiling intpd_2e2c.F... Compiling intpd_2e3c.F... Compiling intpd_2e3ct.F... Compiling intpd_mpolel.F... Compiling intso_1e.F... Compiling intd_1eso.F... Compiling int_1epvpe.F... Compiling int_1epxvpe.F... Compiling int_vstat1e.F... Compiling intdd_1eecp1.F... Compiling int_1eelec.F... Compiling int_giaoh01.F... Compiling int_giaoh11.F... Compiling int_giaol10.F... Compiling int_giaos10.F... Compiling int_giaotv10.F... Compiling int_giaobq10.F... Compiling int_giao_2e.F... Compiling int_pso.F... Compiling int_dso.F... Compiling intd_1epot.F... Compiling intd_1epot_cosmo.F... intd_1epot_cosmo.F:140:48: & scrsize,scr(offset),nint,H1a,efc_c,efc_q,nefc) 1 Warning: Rank mismatch in argument 'efc_q' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling int_veloc.F... Compiling int_angmom.F... Compiling int_giaos100.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/api' Compiling int_hf1sp.F... int_hf1sp.F:597:56: c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ Warning: backslash and newline separated by space Compiling int_l2e4c.F... Compiling intb_init4c.F... Compiling intb_2e4c.F... Compiling int_2e4c.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/api' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/api' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/api' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/api' Making all in int gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/int' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/int' Compiling hf3PEabc.F... Compiling hf3mkr.f... Compiling hf3pot.F... Compiling defNxyz.F... Compiling getNxyz.F... Compiling matchNxyz.F... Compiling hf1.F... Compiling hf1mke3.f... Compiling hf1mkr.f... Compiling hf1set3.F... Compiling hf2.F... Compiling hf2mkr.F... Compiling hf2oi.f... Compiling hf3OIs.f... Compiling hfabc.f... Compiling hfctr3.f... Compiling hferi.F... Compiling hferi_gen.F... Compiling hfkei.f... Compiling hfmke.F... Compiling hfmkr.F... Compiling hfnai.f... Compiling hfset.F... Compiling igamma.F... Compiling hf_print.f... Compiling hfreord_pq.f... Compiling hf1_tran.F... Compiling hf1_er.F... Compiling hfnai_er.F... Compiling case_impl.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/int' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/int' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/int' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/int' Making all in auxil gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/auxil' Compiling do_chk_sum.F... Compiling intb_chk_sum.F... Compiling xlmcoeff.F... Compiling xlm_norm.F... Compiling int_spcart2.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/auxil' Compiling int_norm.F... Compiling nmcoef.F... Compiling int_norm_2c.F... Compiling int_chk_sum.F... Compiling int_spcart.F... Compiling nmcoef2c.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/auxil' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/auxil' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/auxil' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/auxil' Making all in ints_sp gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ints_sp' Compiling sp1111.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ints_sp' Compiling genr70.F... Compiling init70.F... Compiling qout70.F... Compiling sinfo.F... Compiling sp0000.F... Compiling sp0001.F... Compiling sp0011.F... Compiling sp0101.F... Compiling sp0111.F... Compiling tabgen.f... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ints_sp' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ints_sp' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ints_sp' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ints_sp' Making all in deriv gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/deriv' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/deriv' Compiling hf1d.F... Compiling hf2d.F... Compiling hfd2oi.f... Compiling hfderi.F... Compiling hfdkei.F... hfderi.F:246:0: if( kl.gt.ij ) go to 480 Warning: 'ij' may be used uninitialized in this function [-Wmaybe-uninitialized] hfderi.F:120:0: ij = (ma*(ma-1))/2 + mb note: 'ij' was declared here Compiling hfdnai.f... Compiling hfefi.f... Compiling hf2d_2a.F... Compiling hf2d_2b.F... Compiling hf2d_2a2b.F... Compiling hf2d_3a.F... Compiling hf2d_3a2b.F... Compiling hf2d_all.F... Compiling hf1PRtoAB.f... Compiling hf2PRtoAB.f... Compiling hf2QStoCD.f... Compiling hfd3oi.F... Compiling hf1d_cosmo.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/deriv' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/deriv' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/deriv' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/deriv' Making all in texas gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/texas' Compiling abcd.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/texas' Compiling texas_face.F... texas_face.F:1064:72: * iprint,ncs,inx(inxx),ntxs_scr_size) 1 Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_face.F:1556:19: common /ganz/ ll9(9) ,na,nn4(4) 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (112 vs 672 bytes) texas_face.F:1159:19: common /ganz/ lcore,iov,last,nganz(67) 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (560 vs 672 bytes) texas_face.F:523:25: common /ctxs_index/ maxsh,ifp,inx(mxsh) 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (1520016 vs 24 bytes) texas_face.F:1761:25: common /ctxs_index/ maxsh,ifp,inx(1) 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) texas_face.F:1921:25: common /ctxs_index/ maxsh,ifp,inx(1) 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) Compiling texas_hf.F... texas_hf.F:936:72: call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:937:72: call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:938:72: call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:939:72: call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:941:72: * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:436:72: * icspnl,jcspnl,kcspnl,lcspnl) 1 Warning: Type mismatch in argument 'ncshell' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:470:72: * bl(iqorder),bl(isblpoin) ) 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:485:72: * bl(iqorder),ngcont) 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:493:72: call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) 1 Warning: Type mismatch in argument 'isbl_size' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:504:72: * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) 1 Warning: Type mismatch in argument 'maxsize' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:512:72: * bl(isbl_split),isplit ) 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] texas_hf.F:521:72: call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling big_service.F... big_service.F:773:0: s=zero Warning: 'zero' is used uninitialized in this function [-Wuninitialized] Compiling getmem.F... Compiling amshift.F... amshift.F:82:72: call make_indxx(bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:141:72: * bl(indxx),lni*lnj,lnk*lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:168:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:180:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:195:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:219:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:251:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:299:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] amshift.F:341:72: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling assemblx.F... assemblx.F:55:72: * bl(ibuf2),bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:64:72: * bl(iaax),bl(ibbx),bl(iccx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:69:72: * bl(iaax),bl(ibbx),bl(iccx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:76:72: * bl(iaax),bl(ibbx),bl(iccx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:81:72: * bl(iaax),bl(ibbx),bl(iccx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:91:72: * bl(iaax),bl(ibbx),bl(iccx),bl(iexpo)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:96:72: * bl(iaax),bl(ibbx),bl(iccx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:680:72: * bl(idx1),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:698:72: * bl(idx1),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:715:72: * bl(idx2),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:733:72: * bl(idx2),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:748:72: * bl(idx1),bl(indx),ij3b,kl3b) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:761:72: * bl(idx2),bl(indx), ij3b,kl3b) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:773:72: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:785:72: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:797:72: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:809:72: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:824:72: * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:835:72: * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:846:72: * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:857:72: * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:868:72: * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1438:72: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1456:72: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1473:72: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1491:72: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1506:72: * bl(indx),ij3b,kl3b) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1519:72: * bl(indx), ij3b,kl3b) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1531:72: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1543:72: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1555:72: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1567:72: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1582:72: * lck,lcij,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1593:72: * lcl,lcij,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1604:72: * lci,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1615:72: * lcj,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] assemblx.F:1626:72: * lcij,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling spec_block.F... spec_block.F:84:72: * bl(nblock1),nbl1,nbl2,nbl4) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_block.F:94:72: call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_block.F:114:72: call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_block.F:122:72: * bl(mxsize),bl(mxpair)) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_block.F:41:72: call block_info(inx,bl(nblock1),bl(npard),nbl2) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_block.F:1632:72: * bl(nklbd),bl(nkled)) 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_block.F:2305:0: functf=dble(nfunct)/dble(nfijkl) Warning: 'nfunct' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_block.F:2282:0: nfunct= limitfp(mmax) note: 'nfunct' was declared here spec_block.F:2301:0: xqrt_limit=cachef*dble(nqrt_limit) Warning: 'nqrt_limit' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_block.F:326:0: * itype1,jtype1,ktype1,ltype1, nqrt_limit) note: 'nqrt_limit' was declared here Compiling cshneg.f... spec_block.F:2305:0: functf=dble(nfunct)/dble(nfijkl) Warning: 'nfunct' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling d_datlog.F... Compiling spec_calcint.F... spec_calcint.F:102:72: call doblock2(ibl,bl(ijblock),idoit) 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:106:72: call doblock2(kbl,bl(klblock),jdoit) 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:111:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:114:72: * isbdo,bl(isbl_split) ) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:126:72: call get_nparts(isupb,bl(isbl_part),nparts) 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:134:72: * bl(isbl_copy) ) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:136:72: * bl(isbl_copy),maxsize) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:2234:72: * bl(map_ij),bl(map_kl) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:158:72: * bl(ijpres2),bl(klpres2) ) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:379:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:386:72: * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:406:72: * bl(isymm),nblspec) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:551:72: * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1237:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1241:72: * bl(map_n0), nbls_n0) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1793:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1815:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1819:72: * bl(map_n0), nbls_n0) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:893:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:897:72: * bl(map_n0), nbls_n0) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1404:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1455:72: * isbl_size,isbl_point) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:1459:72: * bl(map_n0), nbls_n0) 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:255:72: * lab1,lab2,lab3,lab4,fockmat,ncfunct) 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:180:72: * ibl,bl(ijblock),igo_back ) 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_calcint.F:41:72: * lab1,lab2,lab3,lab4,fockmat,ncfunct) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling spec_destiny.F... Compiling memoha.F... Compiling precalc2.F... precalc2.F:34:72: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:42:72: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:75:72: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:83:72: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:312:72: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:317:72: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:336:72: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:341:72: * nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:351:72: * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:357:72: * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:1346:72: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:1370:72: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] precalc2.F:1390:72: * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] spec_destiny.F:344:0: lcfx(integ_n0)=iix(4) Warning: 'MEM[(integer(kind=8)[4] *)&iix][3]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:343:0: kcfx(integ_n0)=iix(3) Warning: 'MEM[(integer(kind=8)[4] *)&iix][2]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:342:0: jcfx(integ_n0)=iix(2) Warning: 'MEM[(integer(kind=8)[4] *)&iix][1]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:341:0: icfx(integ_n0)=iix(1) Warning: 'MEM[(integer(kind=8)[4] *)&iix][0]' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:1628:0: factab=factab*contrij Warning: 'factab' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:1623:0: fctpp= abs( est_ip*est_jp ) Warning: 'est_jp' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:1621:0: fctsp= abs( est_is*est_jp ) Warning: 'est_is' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:1623:0: fctpp= abs( est_ip*est_jp ) Warning: 'est_ip' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling prepint.F... Compiling lab_reorder.F... Compiling rt123.F... spec_destiny.F:1118:0: lcfx(integ_n0)=iix(4) Warning: 'MEM[(integer(kind=8)[4] *)&iix][3]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:1117:0: kcfx(integ_n0)=iix(3) Warning: 'MEM[(integer(kind=8)[4] *)&iix][2]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:1116:0: jcfx(integ_n0)=iix(2) Warning: 'MEM[(integer(kind=8)[4] *)&iix][1]' may be used uninitialized in this function [-Wmaybe-uninitialized] spec_destiny.F:1115:0: icfx(integ_n0)=iix(1) Warning: 'MEM[(integer(kind=8)[4] *)&iix][0]' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:584:0: factab=factab*contrij Warning: 'factab' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:579:0: fctpp= abs( est_ip*est_jp ) Warning: 'est_jp' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:579:0: Warning: 'est_ip' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling shells.F... Compiling time.f... Compiling zeroint.F... zeroint.F:41:72: call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:45:72: call zerosp(lnijkl,nbls,bl(ibuf),bl(idxnot),nbls2,ngcd) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:57:72: * bl(ibut2),l01,l02,nfu(nqij)+1,nfu(nqkl)+1 ) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:70:72: * bl(ibut2 ),lqij,l02,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:86:72: * bl(ibut2 ),lqij,l02,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:101:72: * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:116:72: * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:132:72: * bl(ibut2 ),lij3,l02,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:146:72: * bl(ibut2 ),l01,lkl3,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:160:72: * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:174:72: * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:188:72: * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:202:72: * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:218:72: * bl(ibut2 ),lqmx,l3l,1 ,1) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:230:72: * bl(ibut2 ),lqmx,l3l,1 ,1) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:242:72: * bl(ibut2 ),l3l,lqmx,1 ,1) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:254:72: * bl(ibut2 ),l3l,lqmx,1 ,1) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] zeroint.F:269:72: * bl(ibut2 ),lsss,lsss,1 ,1) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling missing.f... Compiling texas_stubs.F... texas_stubs.F:7:0: #define USE_TEXAS Warning: "USE_TEXAS" redefined :9:0: note: this is the location of the previous definition Compiling uniq_pairs.F... uniq_pairs.F:73:72: call do_tmp1(isbl_size,isbl_q,ijpres2,bl(ij_temp),iqu ) 1 Warning: Type mismatch in argument 'ij_temp' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] uniq_pairs.F:74:72: call do_uniq(iqu,bl(ij_temp), ibl_uniqe ,ij_u) 1 Warning: Type mismatch in argument 'itmp' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] uniq_pairs.F:40:72: * bl(ij_uniqe) , nij_uniqe ) 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] uniq_pairs.F:42:72: * bl(kl_uniqe) , nkl_uniqe ) 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling transfor.F... Compiling gencon.f... gencon.f:352:72: * bl(indx),nbls1, ngcd,bl(igcoet) ) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] gencon.f:366:72: * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] gencon.f:370:72: * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling derivat.F... Compiling convert.f... Compiling test_calc2.f... Compiling screened_op.F... Compiling trobsa.F... trobsa.F:292:72: call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] trobsa.F:329:72: call copy_unstable_1(nbls1,bl(iq_u),nbls1_u,bl(irys),bl(iconst)) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] trobsa.F:348:72: * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] trobsa.F:364:72: * bl(irhocpd_u),bl(icdnix_u),bl(ixqnx_u),bl(ixwq_u)) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] trobsa.F:372:72: * bl(ip1234),bl(iabcd),bl(ihabcdx) ) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] trobsa.F:382:72: * bl(iwt0),bl(iwt0_u),lnij,lnkl) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/texas' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/texas' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/texas' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/texas' Making all in ecp gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ecp' Compiling ecp_sph_tens.f... Compiling int_ecp.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ecp' Compiling ecp_3j_prod.f... Compiling ecp_angint.f... Compiling ecp_angrad.f... Compiling ecp_bess_asy.F... Compiling ecp_bess_pow.f... Compiling ecp_bessel.f... Compiling ecp_c2slower.f... Compiling ecp_c2snorm.F... ecp_c2snorm.F:42:0: wa = wa/sqrt(wb*wc) Warning: 'wa' may be used uninitialized in this function [-Wmaybe-uninitialized] ecp_c2snorm.F:20:0: double precision wa,wb,wc,zero,half note: 'wa' was declared here Compiling ecp_c2srecur.f... Compiling ecp_cart_xpd.F... Compiling ecp_contract.f... Compiling ecp_cstrans.F... Compiling ecp_down_m.f... Compiling ecp_gaussq.f... Compiling ecp_init_c2s.F... Compiling ecp_init_con.F... Compiling ecp_int0.F... Compiling ecp_int1.F... Compiling ecp_int2.F... Compiling ecp_integral.F... Compiling ecp_matpi.F... Compiling ecp_matpr.F... Compiling ecp_radint0.F... Compiling ecp_radint1.F... Compiling ecp_radint2.F... Compiling ecp_s2ccoef.f... Compiling ecp_s2cnorm.F... Compiling ecp_so_ang.F... Compiling ecp_t1_Q0asy.F... Compiling ecp_t1_Q0int.F... Compiling ecp_t1_Q0pow.F... Compiling ecp_t1_Q1asy.F... Compiling ecp_t1_Q1int.F... Compiling ecp_t1_Q1pow.F... Compiling ecp_t1_Q2int.F... Compiling ecp_t2_ghq.F... Compiling ecp_t2_init0.f... Compiling ecp_t2_init1.f... Compiling ecp_t2_init2.F... Compiling ecp_t2_p0pow.F... Compiling ecp_t2_p1pow.F... Compiling ecp_up_k.f... Compiling ecp_local0.F... Compiling ecp_local1.F... Compiling ecp_local2.F... Compiling ecp_locint1.F... Compiling ecp_skipint.F... ecp_locint1.F:56:0: & coeff_c(n_c),tol,wa,wb,wc,prefac Warning: 'prefac' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling ecp_t1_Q3asy.F... Compiling ecp_t1_Q3int.F... Compiling ecp_t1_Q3pow.F... Compiling ecp_t1_Q4int.F... Compiling ecp_t2_init3.f... Compiling ecp_t2_init4.f... Compiling ecp_t2_p3pow.F... Compiling ecp_t2_p4pow.F... Compiling ecp_ind_var.f... Compiling ecp_gradient.F... Compiling ecp_grad_a.F... Compiling ecp_grad_b.F... Compiling ecp_hessian.F... Compiling ecp_int2_k.F... Compiling ecp_local2_k.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ecp' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ecp' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ecp' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/ecp' Making all in hondo gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/hondo' Compiling hnd_vstat.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/hondo' Compiling hnd_whermt.F... Compiling hnd_rt123.F... Compiling hnd_root4.F... Compiling hnd_root5.F... Compiling hnd_droot.F... Compiling hnd_1emem.F... Compiling hnd_init.F... Compiling hnd_set_acc.F... Compiling hnd_stvint.F... Compiling hnd_sxyz.F... hnd_sxyz.F:18:0: double precision ptx, pty, ptz, ax, ay, az, bx, by, bz Warning: 'bz' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_sxyz.F:18:0: Warning: 'by' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_sxyz.F:18:0: Warning: 'bx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling hnd_txyz.F... Compiling hnd_initd.F... Compiling hnd_d1emem.F... Compiling hnd_stvintd.F... Compiling hnd_dderij.F... Compiling hnd_sd_ij.F... Compiling hnd_tvd_ij.F... Compiling hnd_ddtxyz.F... Compiling hnd_hlf_ij.F... Compiling hnd_dervxyz.F... Compiling hnd_initdd.F... Compiling hnd_dd1emem.F... Compiling hnd_stvintdd.F... Compiling hnd_hlfd_ij.F... Compiling hnd_deriaj.F... Compiling hnd_terminate.F... Compiling hnd_denxyz.F... Compiling hnd_elfder.F... Compiling hnd_giaoh01.F... Compiling hnd_giaoh11.F... Compiling hnd_giaol10.F... Compiling hnd_giaos10.F... Compiling hnd_giaotv10.F... Compiling hnd_giaobq10.F... Compiling hnd_giao_init.F... Compiling hnd_giao_1emem.F... Compiling hnd_giao_2emem.F... Compiling hnd_giagnm.F... hnd_giagnm.F:56:13: hnd_giagnm.F:54:72: do 70 m=2,max 2 hnd_giagnm.F:56:13: 70 b00(ig,m)=b00(ig,m-1)+b00(ig,1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:64:13: hnd_giagnm.F:62:72: do 80 n=2,nmax-1 2 hnd_giagnm.F:64:13: b10(ig,n)=b10(ig,n-1)+b10(ig,1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:81:29: hnd_giagnm.F:79:72: do 100 n=2,nmax-1 2 hnd_giagnm.F:81:29: gnm(ig,1,n+1,2)=b00(ig,n)*gnm(ig,1,n,1)+d00(ig,1)*gnm(ig,1,n+1,1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:82:29: hnd_giagnm.F:79:72: do 100 n=2,nmax-1 2 hnd_giagnm.F:82:29: gnm(ig,2,n+1,2)=b00(ig,n)*gnm(ig,2,n,1)+d00(ig,2)*gnm(ig,2,n+1,1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:83:29: hnd_giagnm.F:79:72: do 100 n=2,nmax-1 2 hnd_giagnm.F:83:29: gnm(ig,3,n+1,2)=b00(ig,n)*gnm(ig,3,n,1)+d00(ig,3)*gnm(ig,3,n+1,1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:95:13: hnd_giagnm.F:93:72: do 130 m=2,mmax-1 2 hnd_giagnm.F:95:13: b01(ig,m)=b01(ig,m-1)+b01(ig,1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:112:29: hnd_giagnm.F:110:72: do 150 m=2,mmax-1 2 hnd_giagnm.F:112:29: gnm(ig,1,2,m+1)=b00(ig,m)*gnm(ig,1,1,m)+c00(ig,1)*gnm(ig,1,1,m+1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:113:29: hnd_giagnm.F:110:72: do 150 m=2,mmax-1 2 hnd_giagnm.F:113:29: gnm(ig,2,2,m+1)=b00(ig,m)*gnm(ig,2,1,m)+c00(ig,2)*gnm(ig,2,1,m+1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:114:29: hnd_giagnm.F:110:72: do 150 m=2,mmax-1 2 hnd_giagnm.F:114:29: gnm(ig,3,2,m+1)=b00(ig,m)*gnm(ig,3,1,m)+c00(ig,3)*gnm(ig,3,1,m+1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:129:31: hnd_giagnm.F:124:72: do 180 m=2,mmax-1 2 hnd_giagnm.F:129:31: 2 b00(ig,m )*gnm(ig,1,n ,m ) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:132:31: hnd_giagnm.F:124:72: do 180 m=2,mmax-1 2 hnd_giagnm.F:132:31: 2 b00(ig,m )*gnm(ig,2,n ,m ) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:135:31: hnd_giagnm.F:124:72: do 180 m=2,mmax-1 2 hnd_giagnm.F:135:31: 2 b00(ig,m )*gnm(ig,3,n ,m ) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling hnd_giaspd.F... Compiling hnd_jkbcdf.F... Compiling hnd_oechrg.F... Compiling hnd_xyzgia.F... Compiling hnd_giahnd.F... Compiling hnd_giaxyz.F... Compiling hnd_jkwrys.F... Compiling hnd_spdgia.F... Compiling hnd_pso.F... Compiling hnd_dso.F... Compiling hnd_wleg.F... Compiling hnd_herxyz.F... Compiling hnd_init_1eelec.F... Compiling hnd_init_dso.F... Compiling hnd_init_1emtpl.F... Compiling hnd_init_pso.F... Compiling hnd_veloc.F... Compiling hnd_angmom.F... Compiling hnd_dipxyz.F... Compiling hnd_init_dip.F... Compiling hnd_giaos100.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/hondo' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/hondo' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/hondo' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/hondo' Making all in rel gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/rel' Compiling int_rel_init.F... Compiling rel_input.F... Compiling modelpotential_input.F... Compiling set_modelpotential_params.F... Compiling get_modelpotential_params.F... Compiling calc_modelpotential.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/rel' Compiling rel_onel.F... rel_onel.F:9:19: c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_onel.F:14:19: c:tex- \nonumber \\ Warning: backslash and newline separated by space Compiling rel_mpole.F... Compiling rel_pvp.F... Compiling rel_pot.F... Compiling rel_pot2.F... Compiling rel_2e4c_sf.F... Compiling rel_LLSS.F... Compiling rel_SSLL.F... Compiling rel_SSSS.F... Compiling rel_init_con.F... Compiling dmd_input.F... Compiling zora_input.F... Compiling rel_oneld.F... rel_oneld.F:9:19: c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_oneld.F:14:19: c:tex- \nonumber \\ Warning: backslash and newline separated by space Compiling rel_oneld_cosmo.F... rel_oneld_cosmo.F:9:19: c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_oneld_cosmo.F:14:19: c:tex- \nonumber \\ Warning: backslash and newline separated by space rel_oneld_cosmo.F:113:0: logical doV ! compute potential (True/False) Warning: 'dov' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling rel_2e4cd_sf.F... Compiling rel_LLSSd.F... Compiling rel_SSLLd.F... Compiling rel_SSSSd.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/rel' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/rel' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/rel' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/rel' Making all in dk gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/dk' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/dk' Compiling int_1edk_ga.F... Compiling dk_input.F... Compiling dkdiv_energy.F... Compiling int_pxvp_ga.F... Compiling int_1edkso_ga.F... Compiling bas_create_uncont.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/dk' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/dk' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/dk' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/dk' Making all in simint gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint' Making all in module gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/module' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/module' Compiling nwcsim_module.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/module' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/module' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a nwcsim_module.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/module' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/module' Making all in source gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/source' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/source' Compiling nwcsim_facef90.F... Compiling nwcsim_hf2.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/source' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/source' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a nwcsim_facef90.o nwcsim_hf2.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/source' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint/source' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints/simint' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a intgrl_input.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwints.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/NWints' Making libraries in atomscf gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/atomscf' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/atomscf' Compiling orderd.F... Compiling atcond.F... Compiling denat.F... Compiling hamild.F... Compiling outpud.F... Compiling teigd.F... Compiling atomd.F... Compiling denmad.F... Compiling jacod.F... jacod.F:141:0: f(iebr) = tt*sx - f(iebr)*cx Warning: 'tt' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling pdfded.F... Compiling tracd.F... Compiling cmergd.F... Compiling densid.F... Compiling densid_z.F... Compiling oeigd.F... Compiling shalfd.F... Compiling trafsd.F... Compiling creded.F... Compiling square.F... Compiling tramad.F... Compiling datoms.F... Compiling guess_mem.F... Compiling starcd.F... Compiling writel.F... Compiling printbasis.F... Compiling atscf_ecp.F... Compiling atscf_atscf.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/atomscf' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/atomscf' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libguess.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libguess.a orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libguess.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libguess.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libguess.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/atomscf' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/atomscf' Making libraries in ddscf gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf' Compiling comp4_bins.F... Compiling rhf_dens_mo.F... Compiling comp4_insert.F... Compiling scf_sym_adap.F... Compiling rhf_fock_2e.F... Compiling scf_lindep.F... Compiling ga_atom_blk.F... Compiling scf.F... Compiling scf_input.F... Compiling schwarz_init.F... Compiling vectors_inp.F... Compiling int_1e_ga.F... Compiling schwarz_pr.F... Compiling ga_orth_mos.F... Compiling schwarz_tidy.F... Compiling int2e_balance.F... Compiling vectors.F... Compiling scf_sym_scr.F... Compiling ga_cont_blk.F... Compiling mull_pop.F... Compiling matrix_exp.F... Compiling scf_pstat.F... Compiling schwarz_max.F... Compiling movecs_proj.F... Compiling movecs_rotate.F... Compiling ao_fock_2e.F... Compiling movecs_lock.F... Compiling fock_2e.F... Compiling fock_2e_et.F... Compiling fock_2e_a.F... Compiling print_aoints.F... Compiling fock_2e_b.F... Compiling fock_upd_blk.F... Compiling fock_2e_cdf.F... Compiling fock_get_blk.F... Compiling scf_vec_guess.F... Compiling rohf.F... Compiling rohf_nr_sol.F... Compiling rohf_wrap.F... Compiling rohf_canon.F... Compiling rohf_k2cf.F... Compiling rohf_precon.F... Compiling rohf_shift.F... Compiling rohf_step.F... Compiling rohf_rotate.F... Compiling scf_get_info.F... Compiling rohf_hscale.F... Compiling fock_2e_file.F... Compiling rohf_hxx.F... Compiling rohf_fock.F... Compiling rohf_fock2g.F... Compiling scf_movecs.F... Compiling rohf_h1e.F... Compiling rohf_h2e.F... Compiling rohf_hessv2.F... Compiling rohf_dens.F... Compiling movecs_phase.F... Compiling riscf_fock.F... Compiling riscf_init.F... Compiling riscf_list.F... Compiling riscf_tidy.F... Compiling riscf_trans.F... Compiling do_riscf.F... Compiling riscf_dovecs.F... Compiling rohf_scat.F... Compiling uhf.F... Compiling uhf_hessv.F... Compiling fock_2e_rep.F... Compiling uhf_hessv2.F... Compiling print_integ_list.F... Compiling print_1eints.F... Compiling riscf_square.F... Compiling riscf_io.F... Compiling movecs_pr_anal.F... Compiling rohf_lagr.F... Compiling rohf_diis.F... rohf_diis.F:174:34: call rohf_errvec( g_fock, g_movecs, g_over, g_xorth, 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling rhf_fock.F... Compiling multipole.F... Compiling ga_mat_to_vec.F... Compiling movecs_frag.F... Compiling localize.F... localize.F:123:39: $ nloc, iloc, nbf, nmo, g_movecs, g_sc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) [-Wargument-mismatch] localize.F:133:36: $ nloc, iloc, nbf, nmo, g_movecs, g_sc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) [-Wargument-mismatch] localize.F:142:36: $ nloc, iloc, nbf, nmo, g_movecs, g_sc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) [-Wargument-mismatch] localize.F:192:39: $ nloc, iloc, nbf, nmo, g_movecs, g_uc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) [-Wargument-mismatch] localize.F:202:36: $ nloc, iloc, nbf, nmo, g_movecs, g_uc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) [-Wargument-mismatch] localize.F:211:36: $ nloc, iloc, nbf, nmo, g_movecs, g_uc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling int_dip_ga.F... Compiling fock_xc.F... fock_xc.F:193:28: = dft_npatch(g_dens,i,nbf_ao,geom,ao_bas_han) 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) [-Wargument-mismatch] fock_xc.F:204:44: int_mb(igxcd+i-1)=dft_npatch(g_dens,i+nfock_xc-1, 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling fock_j_fit.F... fock_j_fit.F:17:45: call fock_j_fit_gen(nmat, g_dens, g_j, 0d0, .false., .true.) 1 Warning: Rank mismatch in argument 'tvec' at (1) (rank-1 and scalar) [-Wargument-mismatch] Compiling rohf_jkfac.F... Compiling uhf_jkfac.F... Compiling rohf_hessv3.F... rohf_hessv3.F:69:17: $ pflg, g_movecs, oskel, noskew, 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling fock_2e_cam.F... Compiling ga_get2eri.F... Compiling scf_frozemb.F... Compiling print_integrals.F... Compiling rohf_hessv2_ext.F... Compiling rohf_hessv3_ext.F... rohf_hessv3_ext.F:88:11: & g_movecs, 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) [-Wargument-mismatch] rohf_hessv3_ext.F:429:11: & g_movecs, ! in : MO coefficients 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling uhf_hessv2_ext.F... Compiling uhf_precond_ext.F... Compiling scf_dump_evp_input.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf' Making all in fast gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf/fast' Compiling fock_2e_task.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf/fast' Compiling fock_2e_slab.F... Compiling fock_2e_lab.F... fock_2e_lab.F:1609:46: call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) [-Wargument-mismatch] fock_2e_lab.F:2039:50: call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling fock_labscal.F... Compiling fock_2e_c.F... Compiling xlm_poles.F... Compiling cheby.F... Compiling fastj.F... Compiling fock_scale.F... fastj.F:1639:0: dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid Warning: 'potgrid' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling fock_densc.F... Compiling anlfit.F... anlfit.F:371:12: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: Loop variable at (1) must be integer anlfit.F:371:15: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: Start expression in DO loop at (1) must be integer anlfit.F:371:22: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer anlfit.F:371:31: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: Step expression in DO loop at (1) must be integer Compiling schwarz_atom.F... anlfit.F:615:0: D(1)=PTWO Warning: 'ptwo' may be used uninitialized in this function [-Wmaybe-uninitialized] anlfit.F:615:0: D(1)=PTWO Warning: 'ptwo' may be used uninitialized in this function [-Wmaybe-uninitialized] anlfit.F:598:0: DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) note: 'ptwo' was declared here Compiling comp4_ext.F... Compiling schwarz_sh.F... Compiling cart_trans.F... Compiling int2e_file.F... fastj.F:736:0: $ x-a, y-b, z-c, q, lmax) Warning: 'z' may be used uninitialized in this function [-Wmaybe-uninitialized] fastj.F:736:0: Warning: 'y' may be used uninitialized in this function [-Wmaybe-uninitialized] fastj.F:736:0: Warning: 'x' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling gauleg.f... Compiling ao_replicated.F... Compiling solver.F... solver.F:1030:15: do j = 0,lmax 2 yp(j,i) = yy 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1031:15: solver.F:1029:72: do j = 0,lmax 2 solver.F:1031:15: zp(j,i) = zz 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1055:34: do j = 0, lmax 2 yf(j) = yf(j) + yp(j,l)*f(l,m) 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1060:46: solver.F:1058:72: do k = 0,lmax 2 solver.F:1060:46: q2d(j,k) = q2d(j,k) + yf(j)*zp(k,m) 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) Compiling vsint.f... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf' Compiling pot_shell.F... Compiling fastj_direct.F... Compiling fastj_range.f... Compiling newfmm.F... pot_shell.F:88:0: double precision qm2, qm1, q0, qp1, qp2, start Warning: 'start' may be used uninitialized in this function [-Wmaybe-uninitialized] solver.F:99:0: $ write(6,15) etime(tt) - start Warning: 'start' may be used uninitialized in this function [-Wmaybe-uninitialized] solver.F:34:0: real*4 etime, tt(2), start note: 'start' was declared here Compiling potential.F... Compiling sint.f... sint.f:25:72: CALL SINT1(N,X,WSAVE,WSAVE(IW1),WSAVE(IW2),WSAVE(IW3)) 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] sint.f:140:72: CALL RFFTI1(N,WSAVE(N+1),WSAVE(2*N+1)) 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] newfmm.F:580:0: call xlm(lmax, x-xo, y-yo, z-zo, w, lq) Warning: 'zo' may be used uninitialized in this function [-Wmaybe-uninitialized] newfmm.F:580:0: Warning: 'yo' may be used uninitialized in this function [-Wmaybe-uninitialized] newfmm.F:580:0: Warning: 'xo' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf/fast' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf/fast' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libddscf.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libddscf.a xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libddscf.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libddscf.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libddscf.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf/fast' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf/fast' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libddscf.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libddscf.a comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libddscf.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libddscf.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ddscf' Making libraries in gradients gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/gradients' Compiling gradients.F... Compiling grad_force.F... Compiling grad1.F... Compiling scf_gradient.F... Compiling grad_dens.F... Compiling grad_inp.F... Compiling ga_reorder.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/gradients' Compiling grad2.F... Compiling grad_getdens.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/gradients' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/gradients' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libgradients.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libgradients.a gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libgradients.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libgradients.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libgradients.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/gradients' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/gradients' Making libraries in moints gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/moints' Compiling atwtest.F... Compiling direct_mp2.F... Compiling mointdriver.F... Compiling moints_1e.F... Compiling moints_dbg.F... Compiling moints_gsh1.F... Compiling moints_mem.F... Compiling moints_mp2.F... Compiling moints_stats.F... Compiling moints_full.F... moints_full.F:353:72: $ nsym, sym_lo, sym_hi) 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling sifs0.F... sifs0.F:1471:72: assign 6021 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs0.F:1473:72: assign 6022 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs0.F:1483:21: write(nlist,ifmtv) values(i), (labels(j,i), j=1,nipv) 1 Warning: Deleted feature: ASSIGNED variable in FORMAT tag at (1) Compiling sifs1.F... sifs1.F:107:72: assign 6021 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs1.F:109:72: assign 6022 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs1.F:111:72: assign 6024 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs1.F:119:21: write(nlist,ifmtv) values(i), (labels(j,i), j=1,nipv) 1 Warning: Deleted feature: ASSIGNED variable in FORMAT tag at (1) gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/moints' Compiling moints_cutil.c... Compiling moints_aodisk.F... moints_aodisk.F:1623:72: call moints_aodisk_ijprint( ilen, jlen, r(ijp) ) 1 Warning: Type mismatch in argument 'ijmap' at (1); passed REAL(8) to INTEGER(2) [-Wargument-mismatch] moints_aodisk.F:1288:72: $ ssbb(lblo,kblo,j,i) ) 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) [-Wargument-mismatch] moints_aodisk.F:999:72: $ iorec(irrp), iorec(drp), nnz1 ) 1 Warning: Type mismatch in argument 'colp' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] moints_aodisk.F:1728:22: if (.not.(sprs_verify(llen,klen,itmp(1), 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) [-Wargument-mismatch] moints_aodisk.F:1669:18: if (.not.(ao_ijverify( ilen, jlen, klen, llen, 1 Warning: Type mismatch in argument 'ijmap' at (1); passed INTEGER(8) to INTEGER(2) [-Wargument-mismatch] Compiling moints_2x.F... Compiling moints_6x.F... Compiling moints_semi.F... Compiling moints_aux2.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/moints' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/moints' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmoints.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmoints.a atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmoints.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmoints.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmoints.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/moints' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/moints' Making libraries in nwdft gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft' Compiling nwdft.F... Making all in include gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/include' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/include' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/include' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/include' Making all in input_dft gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/input_dft' Compiling dft_inpana.F... Compiling dft_rdinput.F... Compiling dft_input.F... Compiling tol_inp.F... Compiling grid_inp.F... Compiling xc_inp.F... Compiling conv_inp.F... Compiling cdft_inp.F... Compiling occup_input.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/input_dft' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/input_dft' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/input_dft' Making all in scf_dft gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft' Compiling dft_swapab.F... Compiling dft_main0d.F... Compiling dft_scf.F... Compiling print_irrep_occp.F... Compiling dft_fockbld.F... Compiling dft_scfutil.F... Compiling dft_symbr.F... Compiling dft_pstat.F... Compiling fukui.F... Compiling dft_canorg.F... Compiling dft_diagn.F... Compiling dft_dump_info.F... Compiling dft_fant.F... Compiling dft_printinfo.F... Compiling dft_fock_efield.F... Compiling dft_frac_mo.F... Compiling dft_nwmolden.F... Compiling dft_spinflip.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft' Compiling dft_dencvg.F... Compiling dft_densm.F... Compiling dft_invdiag.F... Compiling dft_mxovl.F... Compiling dft_mxspin_ovlp.F... Compiling dft_s2_value.F... Compiling dft_scfcvg.F... Compiling diis_bld12.F... Compiling diis_bsolve.F... Compiling diis_core.F... Compiling diis_driver.F... Compiling diis_hamwgt.F... Compiling dft_fdist_init.F... Compiling cdft_util.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft' Making all in scf_dft_cg gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft_cg' Compiling dft_cscf.F... Compiling dft_cg_answer.F... Compiling dft_cg_info.F... Compiling dft_cg_guess.F... Compiling dft_cg_solve.F... Compiling dft_get_conv_info.F... Compiling dft_roks_energy.F... Compiling dft_roks_fock.F... Compiling dft_roks_hessv_2e.F... Compiling dft_roks_hessv.F... Compiling dft_roks_hessv_xx.F... Compiling dft_roks_nr_solve.F... Compiling dft_roks_search_precond.F... Compiling dft_roks_step_energy.F... Compiling dft_uks_energy.F... Compiling dft_uks_hessv_2e.F... Compiling dft_uks_hessv.F... Compiling dft_uks_nr_solve.F... Compiling dft_uks_search_precond.F... Compiling dft_uks_step_energy.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft_cg' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft_cg' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/scf_dft_cg' Making all in so_dft gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/so_dft' Compiling dft_scf_so.F... Compiling dft_densmso.F... Compiling dft_mxovlso.F... Compiling grad_force_so.F... Compiling dft_gradients_so.F... Compiling vectors_so.F... Compiling grad_dens_so.F... Compiling grad1_so.F... Compiling diis_driver_so.F... Compiling diis_bsolve_so.F... Compiling diis_bld12_so.F... Compiling diis_core_so.F... Compiling diis_hamwgt_so.F... Compiling diis_refvec_so.F... Compiling movecs_anal_so.F... Compiling getv_coul.F... Compiling getv_exch0.F... Compiling getv_exchX.F... Compiling getv_exchY.F... Compiling getv_exchZ.F... Compiling getv_dftxc.F... Compiling sym_mo_adapt_so.F... Compiling sym_char_tab_so.F... Compiling scf_sym_adap_so.F... Compiling sym_mo_ap_op_so.F... Compiling sym_op_clsfy_so.F... Compiling ga_orth_mos_so.F... Compiling ga_orthog_so.F... Compiling sym_op_cname_so.F... Compiling grad_dens_so2.F... Compiling dft_scf_utils_so.F... Compiling dft_frac_mo_so.F... Compiling xc_exso.F... Compiling getv_coul_cd.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/so_dft' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/so_dft' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/so_dft' Making all in coulomb gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/coulomb' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/coulomb' Compiling dft_3cincor.F... Compiling dft_mem3c.F... Compiling dft_fitcd.F... Compiling dft_fitvc.F... Compiling dft_genspm.F... Compiling dft_get2eri.F... Compiling dft_getspm.F... Compiling dft_getvc.F... Compiling dft_n3c.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/coulomb' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/coulomb' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/coulomb' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/coulomb' Making all in xc gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/xc' cat: /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/tools/build/global/src/ga-wapi.h: No such file or directory Compiling xc_getv.F... Compiling xc_getvxc.F... Compiling xc_exact_pot.F... Compiling xc_sicutil.F... Compiling chk_dens.F... Compiling xc_util.F... Compiling xc_chkdispauto.F... Compiling xc_vdw_init.F... Compiling 2ndDerivB97.c... 2ndDerivB97.c: In function 'dft_xckernel_cb97_': 2ndDerivB97.c:499:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] double Gec_a0=0.0,Gec_b0=0.0; ^~~~~~ 2ndDerivB97.c:499:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] double Gec_a0=0.0,Gec_b0=0.0; ^~~~~~ 2ndDerivB97.c:688:61: warning: 'Gec_a0_ra' may be used uninitialized in this function [-Wmaybe-uninitialized] FC[ _FXC_RAGAA ] = ScalGGAC*(0.0 + Gec_a0_ra*Ggc_aa_gaa + 0.0 + ec_a0*Ggc_aa_ragaa + 0.0 + Gec_ab_ra*Ggc_ab_gaa + 0.0 + ec_ab*Ggc_ab_ragaa); ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ 2ndDerivB97.c:675:38: warning: 'Gec_b0_rb' may be used uninitialized in this function [-Wmaybe-uninitialized] FC[ _FXC_RB ] = ScalGGAC*(0.0 + Gec_b0_rb*gcbb + ec_b0*Ggc_bb_rb + Gec_ab_rb*gcab + ec_ab*Ggc_ab_rb); ~~~~^~~~~~~~~~~~~~~~ gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/xc' cat: /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/tools/build/global/src/ga-wapi.h: No such file or directory Compiling xc_eval_basis.F... Compiling a_dist.F... Compiling eumac.F... Compiling qdist.F... Compiling scat_mat.F... Compiling setACmat.F... Compiling xc_becke88.F... Compiling xc_dirac.F... Compiling xc_bnl.F... Compiling xc_dirac_screened.F... Compiling xc_fitv.F... Compiling xc_hfexch.F... Compiling xc_lebedev.F... Compiling xc_lyp88.F... Compiling xc_perdew86.F... Compiling xc_perdew91.F... Compiling xc_pw91lda.F... Compiling xc_pw91ldag.F... Compiling xc_rhogen.F... Compiling xc_tabcd.F... Compiling xc_vwn_1.F... Compiling xc_vwn_1_rpa.F... Compiling xc_vwn_2.F... Compiling xc_vwn_3.F... Compiling xc_vwn_4.F... Compiling xc_vwn_5.F... Compiling xc_eval_fnl.F... xc_eval_fnl.F:1798:29: & 0d0, .false., 0d0, 1 Warning: Rank mismatch in argument 'laprho' at (1) (rank-1 and scalar) [-Wargument-mismatch] Compiling xc_fd.F... xc_fd.F:65:72: & dbl_mb(i_prho), dbl_mb(i_pdelrho)) 1 Warning: Type mismatch in argument 'npert' at (1); passed LOGICAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling xc_pbe96.F... xc_pbe96.F:1423:0: if (nlfac) then Warning: 'nlfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:28:0: logical lfac, nlfac, lfacl, nlfacl note: 'nlfac' was declared here xc_pbe96.F:374:0: if (abs(cfac(6)).gt.EPS.or.lfac) then Warning: 'lfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:28:0: logical lfac, nlfac, lfacl, nlfacl note: 'lfac' was declared here xc_pbe96.F:1062:0: if (id_cpbe.eq.1.or.id_cpbe.eq.3) then Warning: 'id_cpbe' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:24:0: integer ipol, nq, id_cpbe note: 'id_cpbe' was declared here xc_pbe96.F:1454:0: & rhoval*dH0dna)*fac Warning: 'fac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:30:0: double precision fac, facl note: 'fac' was declared here xc_pbe96.F:1423:0: if (nlfac) then Warning: 'nlfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:374:0: if (abs(cfac(6)).gt.EPS.or.lfac) then Warning: 'lfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1062:0: if (id_cpbe.eq.1.or.id_cpbe.eq.3) then Warning: 'id_cpbe' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:30:0: double precision fac, facl Warning: 'fac' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_hcth.F... Compiling xc_xpbe96.F... Compiling xc_xpw91.F... Compiling xc_tarad.F... Compiling xc_murakn.F... Compiling xc_signf.F... xc_pbe96.F:1085:0: fAtden3 = fAtden2*fAtden Warning: 'fatden2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1155:0: 8 (fAtden4) Warning: 'dfatnumdt' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1181:0: B (fAtden4) Warning: 'dfatnumda' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1181:0: Warning: 'd2fatnumdtda' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1155:0: 8 (fAtden4) Warning: 'd2fatnumdt2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1452:0: if (nlfac)then Warning: 'nlfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:374:0: if (abs(cfac(6)).gt.EPS.or.lfac) then Warning: 'lfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1062:0: if (id_cpbe.eq.1.or.id_cpbe.eq.3) then Warning: 'id_cpbe' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:30:0: double precision fac, facl Warning: 'fac' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_gill96.F... Compiling xc_xmpw91.F... Compiling xc_xpkzb99.F... Compiling xc_cpkzb99.F... Compiling xc_cMpbe96.F... Compiling xc_xtpss03.F... Compiling xc_ctpss03.F... Compiling xc_oep.F... Compiling xc_sic_pert.F... Compiling xc_sic.F... Compiling localize_sic.F... Compiling xc_optx.F... Compiling xc_optc.F... Compiling xc_atomblock.F... Compiling xc_replicated.F... Compiling xc_ft97.F... Compiling xc_lb94.F... Compiling xc_cs00.F... Compiling xc_op.F... xc_ft97.F:77:0: Amat(n,2) = Amat(n,2)+dfdrbx*xfac+dfdrbc*cfac Warning: 'dfdrbx' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_ft97.F:38:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx note: 'dfdrbx' was declared here xc_ft97.F:79:0: dfdzb=dfdgbbx*xfac+dfdgbbc*cfac Warning: 'dfdgbbx' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_ft97.F:38:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx note: 'dfdgbbx' was declared here Compiling xc_kop.F... Compiling xc_bc95.F... Compiling xc_xm05.F... xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at9' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at9' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at8' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at8' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at7' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at7' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at6' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at6' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at5' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at4' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at3' was declared here xc_xm05.F:258:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 note: 'at2' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at11' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:54:0: double precision at, at10, at11, C1, C2, fL, fNL note: 'at11' was declared here xc_xm05.F:179:0: & + at8*W8 + at9*W9 + at10*W10 + at11*W11) Warning: 'at10' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:54:0: double precision at, at10, at11, C1, C2, fL, fNL note: 'at10' was declared here xc_xm05.F:53:0: double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 Warning: 'at1' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_cm05.F... xc_cm05.F:339:0: W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) Warning: 'sss4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:350:0: dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) Warning: 'sss3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:350:0: Warning: 'sss2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:350:0: Warning: 'sss1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:229:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) Warning: 'sopp4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:82:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 note: 'sopp4' was declared here xc_cm05.F:229:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) Warning: 'sopp3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:82:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 note: 'sopp3' was declared here xc_cm05.F:229:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) Warning: 'sopp2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:82:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 note: 'sopp2' was declared here xc_cm05.F:229:0: dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) Warning: 'sopp1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:82:0: double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 note: 'sopp1' was declared here Compiling xc_xpw6.F... Compiling xc_xvs98.F... Compiling xc_cvs98.F... Compiling xc_xm06.F... Compiling xc_cm06.F... Compiling xc_spbe96.F... Compiling xc_kt1.F... Compiling xc_ssbD_1.F... Compiling xc_s12x.F... Compiling xc_cams12x.F... Compiling xc_camb88.F... Compiling xc_att_xc.F... Compiling xc_camxpbe96.F... Compiling xc_camxlsd.F... Compiling xc_xwpbe.F... Compiling hse08fx.F... Compiling xc_vdw_main.F... Compiling xc_vdw_util.F... xc_vdw_util.F:1010:0: xc_neff=1.17d0+0.33d0*nv Warning: 'nv' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_xsogga.F... xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 Warning: 'cxa0' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 Warning: 'cxb0' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:362:0: fb5 = CxB5 *Fexp**F5 Warning: 'cxb5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 note: 'cxb5' was declared here xc_xsogga.F:361:0: fb4 = CxB4 *Fexp**F4 Warning: 'cxb4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 note: 'cxb4' was declared here xc_xsogga.F:360:0: fb3 = CxB3 *Fexp**F3 Warning: 'cxb3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 note: 'cxb3' was declared here xc_xsogga.F:359:0: fb2 = CxB2 *Fexp**F2 Warning: 'cxb2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 note: 'cxb2' was declared here xc_xsogga.F:57:0: Warning: 'cxb1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:356:0: fa5 = CxA5 *Ffrac**F5 Warning: 'cxa5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 note: 'cxa5' was declared here xc_xsogga.F:355:0: fa4 = CxA4 *Ffrac**F4 Warning: 'cxa4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 note: 'cxa4' was declared here xc_xsogga.F:354:0: fa3 = CxA3 *Ffrac**F3 Warning: 'cxa3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 note: 'cxa3' was declared here xc_xsogga.F:168:0: fa2 = CxA2 *Ffrac**F2 Warning: 'cxa2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 note: 'cxa2' was declared here xc_xsogga.F:56:0: Warning: 'cxa1' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_xmvs15.F... Compiling xc_xm11.F... Compiling xc_csogga.F... xc_csogga.F:199:0: fb5 = CcB(5) *Fexp**F5 Warning: 'ccb[5]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'ccb[5]' was declared here xc_csogga.F:198:0: fb4 = CcB(4) *Fexp**F4 Warning: 'ccb[4]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'ccb[4]' was declared here xc_csogga.F:197:0: fb3 = CcB(3) *Fexp**F3 Warning: 'ccb[3]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'ccb[3]' was declared here xc_csogga.F:196:0: fb2 = CcB(2) *Fexp**F2 Warning: 'ccb[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'ccb[2]' was declared here xc_csogga.F:65:0: Warning: 'ccb[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:193:0: fa5 = CcA(5) *Ffrac**F5 Warning: 'cca[5]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'cca[5]' was declared here xc_csogga.F:192:0: fa4 = CcA(4) *Ffrac**F4 Warning: 'cca[4]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'cca[4]' was declared here xc_csogga.F:191:0: fa3 = CcA(3) *Ffrac**F3 Warning: 'cca[3]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'cca[3]' was declared here xc_csogga.F:190:0: fa2 = CcA(2) *Ffrac**F2 Warning: 'cca[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: double precision CcA(0:5),CcB(0:5) note: 'cca[2]' was declared here xc_csogga.F:65:0: Warning: 'cca[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_cm11.F... Compiling steric_energy.F... Compiling xc_3rd_deriv.F... Compiling xc_xpw86.F... Compiling xc_xb86b.F... Compiling xc_xdm.F... Compiling ts_eval_fnl.F... Compiling ts_tf.F... Compiling ts_vw.F... Compiling xc_xn12.F... xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc33' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:82:0: CC33 = -2.41834D+00 note: 'cc33' was declared here xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc32' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:81:0: CC32 = 7.61661D+01 note: 'cc32' was declared here xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc31' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:80:0: CC31 = -3.44631D+01 note: 'cc31' was declared here xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc30' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:79:0: CC30 = 4.03611D-01 note: 'cc30' was declared here xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc23' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:78:0: CC23 = 1.42738D+02 note: 'cc23' was declared here xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc22' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:77:0: CC22 = -1.66220D+02 note: 'cc22' was declared here xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc21' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:76:0: CC21 = 5.13392D+01 note: 'cc21' was declared here xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc20' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:75:0: CC20 = -3.90755D-01 note: 'cc20' was declared here xc_xn12.F:217:0: $ 3.0d0*CC32*FV**2*U**2+3.0d0*CC33*FV**2*U**3 Warning: 'cc13' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:74:0: CC13 = -7.01726D+01 note: 'cc13' was declared here xc_xn12.F:217:0: $ 3.0d0*CC32*FV**2*U**2+3.0d0*CC33*FV**2*U**3 Warning: 'cc12' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:73:0: CC12 = 6.50814D+01 note: 'cc12' was declared here xc_xn12.F:217:0: $ 3.0d0*CC32*FV**2*U**2+3.0d0*CC33*FV**2*U**3 Warning: 'cc11' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:72:0: CC11 = -1.71008D+01 note: 'cc11' was declared here xc_xn12.F:190:0: $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 Warning: 'cc10' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:71:0: CC10 = 8.60211D-02 note: 'cc10' was declared here xc_xn12.F:70:0: CC03 = 1.28887D-01 Warning: 'cc03' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:69:0: CC02 = 1.68233D-01 Warning: 'cc02' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:68:0: CC01 = 5.07880D-01 Warning: 'cc01' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xn12.F:67:0: CC00 = 1.00000D+00 Warning: 'cc00' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_xscan.F... xc_xscan.F:315:0: dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha Warning: 'rtemp[6]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xscan.F:315:0: Warning: 'rtemp[5]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xscan.F:315:0: Warning: 'rtemp[4]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xscan.F:315:0: Warning: 'rtemp[3]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xscan.F:315:0: Warning: 'rtemp[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xscan.F:315:0: Warning: 'rtemp[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xscan.F:141:0: double precision regalpha, dregalpha Warning: 'regalpha' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xscan.F:275:0: Fx = G*(H + Fa*(rH0 - H)) Warning: 'fa' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xscan.F:317:0: dFada = -rD*exp5*rC2/oma2*dregalpha Warning: 'exp5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xscan.F:311:0: dFada = -(rC1*exp4 + rD*exp5*rC2)/oma2 Warning: 'exp4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xscan.F:315:0: dFada = dot_product(rRegu1,rtemp(0:6))*dregalpha Warning: 'dregalpha' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xscan.F:150:0: double precision dFada Warning: 'dfada' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_cscan.F... xc_cscan.F:329:0: & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) Warning: 'fca' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cscan.F:111:0: double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn note: 'fca' was declared here xc_cscan.F:111:0: Warning: 'dfcada' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling xc_xscanl.F... Compiling xc_cscanl.F... xc_cscanl.F:355:0: Amat(n,2) = Amat(n,2) + vcn + ntot*dfcadt*(Ec0-Ec1)*dtdnb Warning: 'dtdnb' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cscanl.F:112:0: double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn note: 'dtdnb' was declared here xc_cscanl.F:112:0: Warning: 'dtdlb' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cscanl.F:359:0: & dfcadt*(Ec0-Ec1)*dtdgb) Warning: 'dtdgb' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cscanl.F:112:0: double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn note: 'dtdgb' was declared here Compiling ts_pc.F... Compiling xc_xncap.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/xc' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/xc' cat: /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/tools/build/global/src/ga-wapi.h: No such file or directory Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_vdw_main.o xc_vdw_util.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/xc' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/xc' Making all in util gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/util' Compiling ga_chol.F... Compiling ga_inverse.F... Compiling ga_chol_seq.F... Compiling ga_inv_seq.F... Compiling dft_invio.F... Compiling dft_print_mats.F... Compiling dft_save_mats.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/util' Compiling dft_gather.F... Compiling dft_header.F... Compiling dft_mpole.F... Compiling dft_scatter.F... Compiling dft_tstamp.F... Compiling dft_pstrace.F... Compiling get_col.F... Compiling movecs_log.F... Compiling nbf_to_mbf.F... Compiling dft_frozemb.F... Compiling dft_frozemb_fde.F... Compiling int_1e_fde.F... dft_frozemb_fde.F:357:41: call grid_quadv0_fde(rtdb, g_dens, g_electronic_fde, 1 Warning: Rank mismatch in argument 'g_vxc' at (1) (rank-1 and scalar) [-Wargument-mismatch] Compiling sca_lab_mat.F... dft_frozemb_fde.F:180:0: write(luout,*) '' Warning: array subscript 1 is above array bounds of 'character(kind=1)[1:0]' [-Warray-bounds] dft_frozemb_fde.F:397:0: write(luout,*) '' Warning: array subscript 1 is above array bounds of 'character(kind=1)[1:0]' [-Warray-bounds] Compiling dft_utilmap.F... Compiling dft_genutils.F... dft_utilmap.F:68:0: integer lo(3),hi(3),ld(2),ld12,offs Warning: 'offs' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/util' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/util' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/util' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/util' Making all in grid gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/grid' Compiling grid_sic.F... Compiling grid_checks.F... Compiling grid_balance.F... Compiling grid_rtrunc.F... Compiling grid_atom_type_info.F... Compiling grid_setquad.F... Compiling grid_setrad.F... Compiling grid_setang.F... Compiling grid_invariant.F... Compiling grid_list.F... Compiling grid_setspac_params.F... Compiling grid_acc_def.F... Compiling grid_memory.F... Compiling grid_update_rtdb.F... Compiling grid_tasks.F... Compiling grid_gen_pts.F... Compiling grid_setspac.F... Compiling grid_neighb.F... Compiling grid_cleanup.F... Compiling grid_gaussq.F... Compiling grid_finpts.F... Compiling grid_init.F... Compiling grid_loop.F... Compiling grid_xcfit.F... Compiling dftg_loop.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/grid' Compiling grid_pscreen.F... Compiling grid_sphere.F... Compiling grid_ssw.F... Compiling grid_sswold.F... grid_sswold.F:36:0: double precision ass,distnc,distnn,wsum Warning: 'ass' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling grid_beckew.F... Compiling grid_signf.F... Compiling grid_quadvw.F... Compiling grid_quadvw1.F... Compiling grid_bucket.F... Compiling grid_utils.F... Compiling grid_sympts.F... Compiling grid_qpts.F... Compiling grid_quadv0.F... Compiling grid_quadv0a.F... grid_quadv0a.F:240:0: if(oprint_qbecke) then Warning: 'oprint_qbecke' may be used uninitialized in this function [-Wmaybe-uninitialized] grid_quadv0a.F:62:0: logical oprint_qbecke note: 'oprint_qbecke' was declared here Compiling grid_quadv0b.F... Compiling grid_quadvc.F... Compiling grid_file.F... Compiling grid_eaf.F... grid_quadv0b.F:431:0: & ttau_fde, kske, do_xdm) Warning: 'ilap_fde' may be used uninitialized in this function [-Wmaybe-uninitialized] grid_quadv0b.F:92:0: integer llap_fde, ilap_fde note: 'ilap_fde' was declared here gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/grid' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/grid' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/grid' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/grid' Making all in dftgrad gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/dftgrad' Compiling dft_grad_top.F... Compiling dftg_getxc.F... Compiling dft_gradients.F... Compiling grad_dft.F... Compiling dftg_getcden.F... Compiling dftg_getxden.F... Compiling dftg_gridpart.F... Compiling dftg_gridv0a.F... Compiling dftg_gridv0.F... dftg_gridv0.F:30:28: . iga_dens, force, 0d0, 0, 1, natoms, 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-2 and scalar) [-Wargument-mismatch] Compiling dftg_gridv0b.F... Compiling dftg_griddo.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/dftgrad' Compiling dftg_cdfit.F... dftg_cdfit.F:30:43: & iga_dens, force, 0d0, 0, 0d0, 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) [-Wargument-mismatch] Compiling dftg_quadv0b.F... Compiling dftg_grad2.F... dftg_grad2.F:35:45: call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) [-Wargument-mismatch] dftg_grad2.F:333:0: & q4*scale, idatom, if1, il1, if2, il2, if3, il3, if4, il4) Warning: 'scale' may be used uninitialized in this function [-Wmaybe-uninitialized] dftg_grad2.F:76:0: double precision tol2e, s34(nat), s12, q2, q4, scale note: 'scale' was declared here Compiling dint_block_j.F... Compiling j_nucder_gen.F... j_nucder_gen.F:21:55: call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-2 and scalar) [-Wargument-mismatch] j_nucder_gen.F:38:49: call j_deriv_gen(g_dens, oactive, nactive, 0d0, g_rhs, 3) 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) [-Wargument-mismatch] Compiling dftg_beckew.F... Compiling dftg_wderiv.F... Compiling dftg_gridssw.F... Compiling dftg_gridsswold.F... dftg_gridsswold.F:240:0: dmu1dmu=dmu1dmu*alpha_erf Warning: 'alpha_erf' may be used uninitialized in this function [-Wmaybe-uninitialized] dftg_gridsswold.F:46:0: double precision xa,ya,za,alpha_erf note: 'alpha_erf' was declared here Compiling dftg_signf.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/dftgrad' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/dftgrad' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/dftgrad' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/dftgrad' Making all in lr_tddft gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft' Compiling tddft_energy.F... Compiling tddft_input.F... Compiling tddft_init.F... Compiling tddft_memory.F... Compiling tddft_iguess.F... Compiling tddft_dump.F... Compiling tddft_davidson.F... Compiling tddft_transfm.F... Compiling tddft_contract.F... Compiling tddft_epsilon.F... Compiling tddft_subspace.F... Compiling tddft_diagon.F... Compiling tddft_residual.F... Compiling tddft_analysis.F... Compiling tddft_dftinit.F... Compiling tddft_finalize.F... Compiling tddft_schmidt.F... Compiling tddft_fold.F... Compiling tddft_bdtensor.F... Compiling tddft_patch.F... Compiling tddft_civecs_phase.F... Compiling tddft_oscstr.F... Compiling tddft_checkpoint.F... Compiling tddft_restart.F... Compiling tddft_s2.F... Compiling tddft_simpleso.F... Compiling tddft_lanczos.F... Compiling tddft_lanczos_tda.F... Compiling tddft_dipole.F... Compiling tddft_prod_v.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft' Making all in lr_tddft_grad gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft_grad' Compiling tddft_gradient.F... Compiling tddft_grad_init.F... Compiling tddft_grad_input.F... Compiling tddft_grad_finalize.F... Compiling tddft_grad_print_info.F... Compiling tddft_grad_ints.F... Compiling tddft_grad_print_header.F... Compiling tddft_grad_e.F... Compiling tddft_grad_root_e.F... Compiling tddft_grad_mo.F... Compiling tddft_grad_xy.F... Compiling tddft_grad_load_mo.F... Compiling tddft_grad_load_xy.F... Compiling tddft_grad_tp.F... Compiling tddft_grad_compute_t.F... Compiling tddft_grad_r.F... Compiling tddft_grad_compute_r.F... Compiling tddft_grad_trans_mo2ao.F... Compiling tddft_grad_trans_ao2mo.F... Compiling tddft_grad_mat_to_vec.F... Compiling tddft_grad_solve.F... Compiling tddft_grad_epsilon.F... Compiling tddft_grad_solve_product.F... Compiling tddft_grad_solve_precond.F... Compiling tddft_grad_compute_p.F... Compiling tddft_grad_compute_w.F... Compiling tddft_grad_g.F... Compiling tddft_grad_compute_dao.F... Compiling tddft_grad_get_dens.F... Compiling tddft_grad_compute_g.F... Compiling tddft_grad_grad_1e.F... Compiling tddft_grad_grad_2e.F... Compiling tddft_grad_make_2pdm.F... Compiling tddft_grad_print_result.F... Compiling tddft_grad_print_array.F... Compiling tddft_grad_compute_energy.F... Compiling tddft_grad_anti_symmetrize.F... Compiling tddft_grad_gxc.F... Compiling tddft_grad_irreg_acc.F... Compiling tddft_grad_fxc_l.F... Compiling tddft_grad_fix_exc.F... Compiling tddft_grad_store_gradient.F... Compiling tddft_grad_util_print.F... Compiling tddft_grad_solve_load_x.F... Compiling tddft_grad_solve_save_x.F... Compiling tddft_grad_dxcdmat.F... Compiling tddft_grad_dfxc.F... Compiling tddft_grad_quadv0b.F... Compiling tddft_grad_dvxc.F... Compiling tddft_grad_mpole.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft_grad' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft_grad' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/lr_tddft_grad' Making all in zora gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/zora' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/zora' Compiling dft_zora_utils.F... dft_zora_utils.F:216:0: scale_MO=scf_dbl*focc(ind_occ) Warning: 'scf_dbl' may be used uninitialized in this function [-Wmaybe-uninitialized] dft_zora_utils.F:44:0: double precision eval_scal,ener_scal,scf_dbl note: 'scf_dbl' was declared here Compiling dft_zora_utils_so.F... Compiling dft_zora_rhos.F... Compiling dft_zora_rhos_so.F... dft_zora_rhos_so.F:407:0: #include "zora.fh" ! Added by FA Warning: extra tokens at end of #include directive Compiling gridNuclearPotential.F... gridNuclearPotential.F:14:0: #include "global.fh" ! Added for using ga_nodeid() Warning: extra tokens at end of #include directive gridNuclearPotential.F:75:0: #include "global.fh" ! Added for using ga_nodeid() Warning: extra tokens at end of #include directive Compiling gridHartreePotential.F... Compiling gridQpqPotential.F... Compiling zora_getv_EFGZ4_SR.F... Compiling calc_zora_EFGZ4_SR.F... Compiling zora_getv_EFGZ4_SO.F... Compiling calc_zora_EFGZ4_SO.F... Compiling dft_zora_NMR.F... Compiling zora_getv_NMRCS_SR.F... Compiling calc_zora_NMRCS_SR.F... Compiling dft_zora_EPR.F... Compiling dft_zora_EPR-NMR_tools.F... dft_zora_EPR.F:376:0: factor=(-0.25d0)*coeffpol*ppt Warning: 'coeffpol' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling zora_getv_EPR.F... Compiling calc_zora_EPR.F... Compiling dft_zora_Hyperfine.F... Compiling zora_getv_HFine.F... Compiling calc_zora_HFine.F... zora_getv_HFine.F:81:0: call dfill(3*nbf_ao*nbf_ao,0d0,dbl_mb(izpso(j)),1) Warning: array subscript 3 is above array bounds of 'integer(kind=8)[3]' [-Warray-bounds] Compiling zora_getv_sf.F... zora_getv_sf.F:294:0: if(ipol.eq.2) g_dens(2)=g_dens0(2) Warning: 'g_dens0[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] zora_getv_sf.F:62:0: integer g_densrep(2),g_dens0(2),dorep_glob note: 'g_dens0[1]' was declared here zora_getv_sf.F:293:0: g_dens(1)=g_dens0(1) Warning: 'g_dens0[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] zora_getv_sf.F:62:0: integer g_densrep(2),g_dens0(2),dorep_glob note: 'g_dens0[0]' was declared here Compiling zora_getv_so.F... zora_getv_so.F:283:0: if(ipol.eq.2) g_dens(2)=g_dens0(2) Warning: 'g_dens0[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] zora_getv_so.F:62:0: integer g_densrep(2),g_dens0(2),dorep_glob note: 'g_dens0[1]' was declared here zora_getv_so.F:282:0: g_dens(1)=g_dens0(1) Warning: 'g_dens0[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] zora_getv_so.F:62:0: integer g_densrep(2),g_dens0(2),dorep_glob note: 'g_dens0[0]' was declared here Compiling calc_EFG.F... Compiling calc_zora_sf.F... Compiling calc_zora_so.F... Compiling calc_zora_facs.F... Compiling get_ints_zora.F... Compiling zora_recalc.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/zora' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/zora' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/zora' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/zora' Making all in spec gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/spec' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/spec' Compiling dft_vspec.F... Compiling dft_vspec_so.F... Compiling dft_xps.F... Compiling dft_polfromsos.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/spec' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/spec' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/spec' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/spec' Making all in rt_tddft gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft' Compiling rt_tddft.F... Making all in matutils gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/matutils' Compiling convert_d2z.F... Compiling convert_z2d.F... Compiling pack_buffer2ga.F... Compiling pack_ga2buffer.F... Compiling matutils.F... Compiling dmat_io.F... Compiling zmat_diag.F... Compiling zmat_inv.F... Compiling zmat_checksum.F... Compiling zmat_spectral_range.F... Compiling zmat_max_abs_elem.F... Compiling zmat_compare.F... Compiling elem_compare.F... Compiling calc_array_partitioning.F... gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/matutils' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/matutils' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/matutils' Making all in rtutils gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/rtutils' Compiling rt_tddft_debug.F... Compiling rt_tddft_header.F... Compiling rt_tddft_output.F... Compiling rt_tddft_calc.F... Compiling rt_tddft_movecs_gs.F... rt_tddft_output.F:427:72: call rt_tddft_print_val (params, tt, params%Enuc, "Enuc") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:428:72: call rt_tddft_print_val (params, tt, energies%core, "Ecore") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:429:72: call rt_tddft_print_val (params, tt, energies%coul, "Ecoul") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:430:72: call rt_tddft_print_val (params, tt, energies%xc(1), "Exc(1)") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:431:72: call rt_tddft_print_val (params, tt, energies%xc(2), "Exc(2)") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:432:72: call rt_tddft_print_val (params, tt, energies%tot, "Etot") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:434:72: $ energies%tot - energies%gs, "Eadded") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:467:72: call rt_tddft_print_msg (params, tt, "No applied E-field") 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:477:72: $ eval, trim(outstr)) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:483:72: $ eval, trim(outstr)) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_output.F:650:72: $ charge_tot, trim(outstr)) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] Compiling rt_tddft_movecs_import.F... Compiling rt_tddft_moocc.F... rt_tddft_movecs_import.F:330:72: call rt_tddft_movecs_fname (params, rt_movecs_fname) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_movecs_import.F:363:72: $ mo_nsets, mo_ns_mo) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_movecs_import.F:386:72: $ dbl_mb(iocc), dbl_mb(ievals)) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_movecs_import.F:576:72: call rt_tddft_movecs_fname (params, rt_movecs_fname) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_movecs_import.F:642:72: $ dbl_mb(iocc), dbl_mb(ievals)) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_movecs_import.F:661:72: $ dbl_mb(iocc), dbl_mb(ievals)) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] Compiling rt_tddft_atpoint.F... Compiling rt_tddft_snapshot.F... rt_tddft_snapshot.F:205:72: call rt_tddft_snapshot_fname (params, it, tt, fname_tail) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_snapshot.F:276:20: itreference = rt_tddft_find_itreference (params) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_snapshot.F:287:72: $ params%viz_treference, fname_tail) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_snapshot.F:314:13: if (rt_tddft_at_snap (params, tt)) then 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_snapshot.F:328:72: call rt_tddft_snapshot_fname (params, it, tt, fname_tail) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_snapshot.F:332:72: $ fname_tail_cube) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] Compiling rt_tddft_geom_mask.F... Compiling rt_tddft_estimate_rem.F... Compiling rt_tddft_vec_quad.F... Compiling rt_tddft_excite.F... rt_tddft_excite.F:376:47: val = val * rt_tddft_hann_window (field, tt) 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) [-Wargument-mismatch] rt_tddft_excite.F:378:51: val = val * rt_tddft_gaussian_window (field, tt) 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) [-Wargument-mismatch] rt_tddft_excite.F:380:51: val = val * rt_tddft_sin2ramp_window (field, tt) 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) [-Wargument-mismatch] rt_tddft_excite.F:80:72: call rt_tddft_update_fields (params, tt) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] Compiling rt_tddft_checkpoint.F... Compiling rt_tddft_zora_scale.F... Compiling rt_tddft_project.F... Compiling rt_tddft_zdens_tot_movecs.F... rt_tddft_project.F:221:72: call rt_tddft_project (params, "F", g_za, g_zb, g_zaproj, lherm) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_project.F:223:72: $ g_zaproj, g_zb, g_zaback, lherm) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_project.F:368:72: $ g_za, g_movecs_gs, g_zaproj) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] rt_tddft_project.F:370:72: $ g_zaproj, g_movecs_gs, g_zaback) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] Compiling rt_tddft_restart.F... Compiling rt_tddft_mocap.F... Compiling rt_tddft_calc_dip_contribs.F... Compiling rt_tddft_spatialcap.F... Compiling rt_tddft_spatial_potential.F... Compiling rt_tddft_complex_evals.F... gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/rtutils' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/rtutils' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/rtutils' Making all in input gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/input' Compiling rt_tddft_input_put_defaults.F... Compiling rt_tddft_input_field.F... rt_tddft_input_field.F:216:72: call rt_tddft_field_rtdb_get (rtdb, i, prev_field) 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) [-Wargument-mismatch] rt_tddft_input_field.F:465:72: call rt_tddft_field_rtdb_put (rtdb, nfields, this_field) 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) [-Wargument-mismatch] Compiling rt_tddft_input_print.F... Compiling rt_tddft_input_excite.F... rt_tddft_input_excite.F:223:72: call rt_tddft_excite_rtdb_put (rtdb, nexcites, excite) 1 Warning: Type mismatch in argument 'excite' at (1); passed TYPE(rt_excite_t) to TYPE(rt_excite_t) [-Wargument-mismatch] Compiling rt_tddft_input_tolerances.F... Compiling rt_tddft_input_visualization.F... Compiling rt_tddft_input_mocap.F... Compiling rt_tddft_input_spatialcap.F... Compiling rt_tddft_input.F... gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/input' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/input' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/input' Making all in init gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/init' Compiling rt_tddft_init_coulcdfit.F... Compiling rt_tddft_init_zora.F... Compiling rt_tddft_init_dip_quad_ints.F... Compiling rt_tddft_init_fock2e.F... Compiling rt_tddft_init_geoms.F... Compiling rt_tddft_init_rtdb.F... Compiling rt_tddft_init_check_params.F... rt_tddft_init_check_params.F:41:72: call rt_tddft_init_check_fields (params) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] Compiling rt_tddft_init_overlap_canorg.F... Compiling rt_tddft_init_common.F... Compiling rt_tddft_clean.F... Compiling task_rt_tddft.F... gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/init' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/init' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/init' Making all in canorg gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/canorg' Compiling canorg_check.F... Compiling canorg_init.F... Compiling canorg_clean.F... Compiling canorg_trans.F... canorg_trans.F:108:72: call canorg_trans_zfock_ao2mo (params, g_zs_nm, g_a, g_b) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] canorg_trans.F:110:72: call canorg_trans_zdens_ao2mo (params, g_zs_nm, g_a, g_b) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] canorg_trans.F:127:72: call canorg_trans_zfock_mo2ao (params, g_zs_mn, g_a, g_b) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] canorg_trans.F:129:72: call canorg_trans_zdens_mo2ao (params, g_zs_mn, g_a, g_b) 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) [-Wargument-mismatch] gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/canorg' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/canorg' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/canorg' Making all in propagators gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/propagators' Compiling exp_diag.F... Compiling exp_pseries.F... Compiling prop_euler.F... Compiling prop_magnus_exp_bch.F... Compiling prop_magnus_exp_bch_scaled.F... Compiling prop_magnus_ord2_interpol.F... Compiling prop_magnus_ord2_step.F... Compiling prop_rk4.F... gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/propagators' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/propagators' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/propagators' Making all in closedshell gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/closedshell' Compiling zfock_cs_build.F... Compiling zfock_cs_core.F... Compiling zfock_cs_core_scalarzora.F... Compiling zfock_cs_coulcdfit.F... Compiling zfock_cs_coul_exchre.F... Compiling zfock_cs_coul.F... Compiling zfock_cs_dftxc.F... Compiling zfock_cs_exch.F... Compiling zfock_cs_exchim.F... Compiling rt_tddft_cs_init.F... Compiling rt_tddft_cs_confirm.F... Compiling rt_tddft_cs_checkpoint.F... Compiling rt_tddft_cs_restart.F... Compiling rt_tddft_cs_prop.F... Compiling rt_tddft_cs_tdfock.F... gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/closedshell' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/closedshell' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/closedshell' Making all in openshell gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/openshell' Compiling zfock_os_build.F... Compiling zfock_os_core.F... Compiling zfock_os_core_scalarzora.F... Compiling zfock_os_coul.F... Compiling zfock_os_coulcdfit.F... Compiling zfock_os_exch.F... Compiling zfock_os_dftxc.F... Compiling rt_tddft_os_init.F... Compiling rt_tddft_os_confirm.F... Compiling rt_tddft_os_prop.F... Compiling rt_tddft_os_tdfock.F... Compiling rt_tddft_os_checkpoint.F... Compiling rt_tddft_os_print.F... Compiling rt_tddft_os_restart.F... gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/openshell' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/openshell' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft/openshell' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a rt_tddft.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft/rt_tddft' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a nwdft.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwdft.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwdft' Making libraries in rimp2 gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rimp2' Compiling rimp2_v_e2.F... Compiling mk_1d_shdist.F... Compiling ga_by_shells.F... Compiling xf3ci_step12.F... Compiling xf3ci_step3.F... Compiling xform_3cints.F... Compiling occ_ranges.F... Compiling rimp2_xf.F... Compiling close_3ci.F... Compiling open_3ci.F... Compiling put_3cints.F... Compiling get_3cints.F... Compiling rimp2.F... Compiling dgecop.F... Compiling lnblnk.f... Compiling max_v_diag.F... Compiling rimp2_parm.F... Compiling rimp2_timers.F... Compiling pr_corr_map.F... Compiling prog_report.F... Compiling xf3ci_mem12.F... Compiling iamax.f... Compiling rimp2_e_mem.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rimp2' Compiling rimp2_denom.F... Compiling sum_pairs.F... Compiling xf3ci_s12a.F... Compiling xf3ci_s12b.F... Compiling eval_3ci.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rimp2' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rimp2' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/librimp2.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/librimp2.a rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/librimp2.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/librimp2.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/librimp2.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rimp2' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/rimp2' Making libraries in stepper gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/stepper' Compiling stpr_cheker.F... Compiling stpr_chkhess.F... Compiling stpr_clnstp.F... Compiling stpr_cneed.f... Compiling stpr_cross.f... Compiling stpr_driver.F... Compiling stpr_fndmde.F... Compiling stpr_formup.F... Compiling stpr_gmass.f... Compiling stpr_hesupd.F... Compiling stpr_hmass.f... Compiling stpr_inihes.F... Compiling stpr_face.F... Compiling stpr_locate.f... Compiling stpr_matout.f... Compiling stpr_mgeom.f... Compiling stpr_mkstep.F... Compiling stpr_mktri.f... Compiling stpr_output.F... Compiling stpr_place.F... Compiling stpr_pmat.f... Compiling stpr_prntpd.f... Compiling stpr_projec.f... Compiling stpr_putbck.f... Compiling stpr_readsq.F... Compiling stpr_save.F... Compiling stpr_setmass.f... Compiling stpr_stepcor.F... Compiling stpr_stepper.f... Compiling stpr_sumstc.F... Compiling stpr_tprntd.f... Compiling stpr_uprcase.f... Compiling stpr_wlkchk.F... Compiling stpr_wrtsq.F... Compiling stpr_walk.F... Compiling stpr_datestp.f... Compiling distang.F... Compiling stpr_gh_at.F... Compiling stpr_gen_aux.F... Compiling stpr_filenames.F... Compiling stepper_inp.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/stepper' Compiling stpr_partit.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/stepper' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/stepper' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libstepper.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libstepper.a stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libstepper.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libstepper.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libstepper.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/stepper' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/stepper' Making libraries in driver gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/driver' Compiling opt_drv.F... Compiling oniom.F... Compiling lbfgs.F... Compiling lbfgs-b.F... lbfgs-b.F:4401:50: lbfgs-b.F:4399:72: do 30 j = 2, n 2 lbfgs-b.F:4401:50: call yaxpy(n-j+1,temp,t(j,j-1),1,b(j),1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4402:17: lbfgs-b.F:4399:72: do 30 j = 2, n 2 lbfgs-b.F:4402:17: b(j) = b(j)/t(j,j) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4402:24: lbfgs-b.F:4399:72: do 30 j = 2, n 2 lbfgs-b.F:4402:24: b(j) = b(j)/t(j,j) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4402:31: lbfgs-b.F:4399:72: do 30 j = 2, n 2 lbfgs-b.F:4402:31: b(j) = b(j)/t(j,j) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4440:17: do 120 j = 2, n 2 b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4440:24: do 120 j = 2, n 2 b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4440:42: do 120 j = 2, n 2 b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4441:17: lbfgs-b.F:4439:72: do 120 j = 2, n 2 lbfgs-b.F:4441:17: b(j) = b(j)/t(j,j) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4441:24: lbfgs-b.F:4439:72: do 120 j = 2, n 2 lbfgs-b.F:4441:24: b(j) = b(j)/t(j,j) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4441:31: lbfgs-b.F:4439:72: do 120 j = 2, n 2 lbfgs-b.F:4441:31: b(j) = b(j)/t(j,j) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling lbfgs-b_driver.F... Compiling lbfgs_driver.F... Compiling lbfgs_utils.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/driver' Compiling driver_input.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/driver' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/driver' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdriver.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdriver.a opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o driver_input.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdriver.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdriver.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdriver.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/driver' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/driver' Making libraries in optim gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim' Making all in deloc gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/deloc' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/deloc' Compiling deloc_driver.F... Compiling deloc.F... Compiling deloc_utils.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/deloc' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/deloc' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a deloc_driver.o deloc.o deloc_utils.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/deloc' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/deloc' Making all in mepgs gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/mepgs' Compiling mepgs_drv.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/mepgs' Compiling mepgs_input.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/mepgs' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/mepgs' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a mepgs_drv.o mepgs_input.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/mepgs' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/mepgs' Making all in tropt gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/tropt' Compiling tropt_drv.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/tropt' Compiling tropt_input.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/tropt' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/tropt' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a tropt_drv.o tropt_input.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/tropt' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/tropt' Making all in neb gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/neb' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/neb' Compiling neb_input.F... Compiling neb_drv.F... Compiling neb_utils.F... Compiling bead_list.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/neb' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/neb' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/neb' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/neb' Making all in string gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/string' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/string' Compiling string.F... Compiling string_input.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/string' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/string' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a string.o string_input.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/liboptim.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/string' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim/string' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/optim' Making libraries in cphf gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cphf' Compiling cphf.F... Compiling cphf_poliz.F... Compiling cphf_solve.F... Compiling cphf_solve2.F... Compiling cphf_solve3.F... Compiling cphf_solve4.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cphf' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcphf.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcphf.a cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcphf.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcphf.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcphf.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cphf' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cphf' Making libraries in ccsd gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccsd' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccsd' Compiling ccden_driver.F... Compiling ccden_interm2.F... Compiling ccden_1pdm.F... Compiling ccsd_driver.F... Compiling ccsd_sortmo.F... Compiling geaxpy.F... Compiling ccden_2pdma.F... Compiling ccden_2pdmb.F... Compiling ccsd_mktau_ga.F... Compiling ccden_interm4.F... Compiling aoccsd2.F... Compiling ccsd_itm.F... Compiling ccsd_itm_omp.F... Compiling ccsd_t2pm.F... Compiling ccsd_pampt2.F... Compiling ccsd_pampt3.F... Compiling ccsd_idx1.F... Compiling ccsd_idx2.F... Compiling ccsd_idx34.F... Compiling ccsd_tengy.F... Compiling ccsd_trpdrv.F... Compiling ccsd_trpdrv_nb.F... Compiling ccsd_trpdrv_omp.F... Compiling ccsd_trpdrv_omp_mixprec.F... Compiling moints_trp.F... Compiling ccsd.F... Compiling ccsd_aux.F... Compiling ccsd_get_param.F... Compiling ccsd_iterdrv2.F... Compiling ccsd_mktask.F... Compiling ccsd_mkt2.F... Compiling ccsd_pdiis.F... Compiling ccsd_trpmo.F... Compiling ccsd_rdtrpo.F... Compiling qstat.F... Compiling cputime.F... Compiling rddcom.F... Compiling ccsd_input.F... Compiling ccsd_graddrv.F... Compiling ccsd_zvecs.F... Compiling ccsd_pzamp.F... Compiling ccsd_zsig1.F... Compiling ccsd_zsig2.F... Compiling ccsd_z2pm.F... Compiling ccsd_tzinta.F... Compiling ccsd_tzintb.F... Compiling ccsd_mem.F... Compiling ccsd_pstat.F... Compiling convert_single_double.F... Compiling ccsd_aosig.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccsd' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccsd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libccsd.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libccsd.a ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libccsd.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libccsd.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libccsd.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccsd' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccsd' Making libraries in vib gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vib' Compiling vib_bcalc.F... Compiling vib_bend.F... Compiling vib_bstr.F... Compiling vib_cebdab.F... Compiling vib_chkhess.F... Compiling vib_clean.F... Compiling vib_cross.F... Compiling vib_dsquar.F... Compiling vib_dtrngl.F... Compiling vib_eckart.F... Compiling vib_gtors.F... Compiling vib_hmass.F... Compiling vib_libe.F... Compiling vib_nmass.F... Compiling vib_prdata.F... Compiling vib_prntpd.F... Compiling vib_rdinp.F... Compiling vib_setup.F... Compiling vib_tors.F... Compiling vib_transp.F... Compiling vib_vib.F... Compiling vib_wmatrix.F... Compiling vib_wrtfreq.F... Compiling vib_zmatin.F... Compiling vib_intense.F... Compiling vib_istep.F... Compiling vib_thermo.F... Compiling vib_phonon.F... vib_phonon.F:156:72: > hess,dbl_mb(hessadjust(1))) 1 Warning: Type mismatch in argument 'w1' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] Compiling vib_zone_input.F... Compiling vib_input.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vib' Compiling vib_callg.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vib' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vib' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libvib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libvib.a vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libvib.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libvib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libvib.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vib' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vib' Making libraries in mcscf gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf' Compiling mcscf.F... Compiling mcscf_b.F... Compiling mcscf_aux.F... Compiling mcscf_ci.F... Compiling mcscf_etr.F... Compiling mcscf_fcore.F... Compiling mcscf_fock.F... Compiling mcscf_hdiag.F... Compiling mcscf_ohv.F... Compiling mcscf_ohv1e.F... Compiling mcscf_ohv2e.F... Compiling mcscf_ohvao.F... Compiling mcscf_ohvmo.F... Compiling mcscf_orb.F... Compiling mcscf_prcnd.F... Compiling mcscf_debug.F... Compiling mcscf_input.F... Making all in detci gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf/detci' Compiling detci_aux.F... Compiling detci_intf.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf/detci' Compiling detci_dens.F... Compiling detci_diag.F... Compiling detci_sigma.F... Compiling detci_spin.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf/detci' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf/detci' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmcscf.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmcscf.a detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmcscf.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmcscf.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmcscf.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf/detci' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf/detci' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmcscf.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmcscf.a mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmcscf.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmcscf.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mcscf' Making libraries in prepar gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/prepar' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/prepar' Compiling prepar.F... Compiling pre_admin.F... pre_admin.F:178:0: return Warning: '__result_pre_admin' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_admin.F:1:0: logical function pre_admin(lfncmd,filcmd,lfnout,lfnfrg) note: '__result_pre_admin' was declared here Compiling pre_align.F... Compiling pre_ang.F... Compiling pre_atmscn.F... Compiling pre_atnam.F... Compiling pre_atnum.F... Compiling pre_atom_index.F... Compiling pre_atrad.F... Compiling pre_atype.F... Compiling pre_base.F... Compiling pre_bnd.F... Compiling pre_bonds.F... Compiling pre_boxsiz.F... Compiling pre_center.F... Compiling pre_charge.F... Compiling pre_check.F... Compiling pre_collaps.F... pre_collaps.F:278:0: xs(k,i)=xs(k,i)+root*tran(k) Warning: 'tran[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_collaps.F:45:0: real*8 tr(3),tran(3),xmax(3),xmin(3) note: 'tran[2]' was declared here pre_collaps.F:278:0: xs(k,i)=xs(k,i)+root*tran(k) Warning: 'tran[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_collaps.F:45:0: real*8 tr(3),tran(3),xmax(3),xmin(3) note: 'tran[1]' was declared here pre_collaps.F:278:0: xs(k,i)=xs(k,i)+root*tran(k) Warning: 'tran[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_collaps.F:45:0: real*8 tr(3),tran(3),xmax(3),xmin(3) note: 'tran[0]' was declared here Compiling pre_crop.F... Compiling pre_dih.F... Compiling pre_dihimp.F... Compiling pre_dihsel.F... Compiling pre_dimens.F... Compiling pre_disres.F... Compiling pre_dummy.F... Compiling pre_equiv.F... Compiling pre_excl.F... Compiling pre_ffield.F... Compiling pre_fix.F... Compiling pre_frgsiz.F... Compiling pre_frgrd.F... Compiling pre_gensgm.F... pre_ffield.F:157:0: elseif(jcomb.eq.3) then Warning: 'jcomb' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_ffield.F:39:0: integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb note: 'jcomb' was declared here Compiling pre_his.F... Compiling pre_hnames.F... Compiling pre_hybrid.F... Compiling pre_imp.F... Compiling pre_input.F... Compiling pre_links.F... Compiling pre_master.F... Compiling pre_merge.F... pre_merge.F:88:0: + (card(17:17).ne.altloc).and.(altloc.ne.'*')) goto 1 Warning: 'altloc[1]{lb: 1 sz: 1}' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_merge.F:14:0: character*1 altloc,chain note: 'altloc[1]{lb: 1 sz: 1}' was declared here pre_merge.F:95:0: + (card(22:22).ne.chain).and.(chain.ne.'*')) goto 1 Warning: 'chain[1]{lb: 1 sz: 1}' may be used uninitialized in this function [-Wmaybe-uninitialized] pre_merge.F:14:0: character*1 altloc,chain note: 'chain[1]{lb: 1 sz: 1}' was declared here Compiling pre_misfit.F... Compiling pre_mkfrg.F... Compiling pre_mklist.F... Compiling pre_mknoe.F... Compiling pre_mkrst.F... Compiling pre_mkseq.F... Compiling pre_mksgm.F... Compiling pre_mktop.F... Compiling pre_modify.F... Compiling pre_multip.F... Compiling pre_namiup.F... Compiling pre_natyps.F... Compiling pre_nonbon.F... Compiling pre_nucleic.F... Compiling pre_orient.F... Compiling pre_params.F... Compiling pre_parcnv.F... Compiling pre_paths.F... Compiling pre_paths2.F... Compiling pre_pdbseq.F... Compiling pre_pdbsiz.F... Compiling pre_protein.F... Compiling pre_rdgeom.F... Compiling pre_rdpdb.F... Compiling pre_rstmod.F... Compiling pre_rdrst.F... Compiling pre_rdseq.F... Compiling pre_rdsgm.F... Compiling pre_removw.F... Compiling pre_rename.F... Compiling pre_repeat.F... Compiling pre_rot.F... Compiling pre_rotate.F... Compiling pre_rstsiz.F... Compiling pre_rtdbin.F... Compiling pre_rtdbsq.F... Compiling pre_select.F... pre_select.F:45:40: call atom_selection(csa,isegm,nsa,card,int_mb(i_list)) 1 Warning: Character length of actual argument shorter than of dummy argument 'target' (80/255) at (1) [-Wargument-mismatch] Compiling pre_seqsiz.F... Compiling pre_sgmfil.F... Compiling pre_sgmndx.F... Compiling pre_sgmnum.F... Compiling pre_sgmsiz.F... Compiling pre_short.F... Compiling pre_slvnum.F... Compiling pre_slvrd.F... Compiling pre_slvsiz.F... Compiling pre_solvat.F... Compiling pre_task.F... Compiling pre_term.F... Compiling pre_third.F... Compiling pre_toprd.F... Compiling pre_topsiz.F... Compiling pre_torang.F... Compiling pre_transl.F... Compiling pre_wrtnam.F... Compiling pre_wrtnoe.F... Compiling pre_wrtpdb.F... Compiling pre_wrtpmf.F... Compiling pre_wrtpov.F... Compiling pre_wrtrst.F... Compiling pre_wrtseq.F... Compiling pre_wrtsgm.F... Compiling pre_wrttop.F... Compiling pre_wrtxyz.F... Compiling pre_impctr.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/prepar' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/prepar' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libprepar.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libprepar.a prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libprepar.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libprepar.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libprepar.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/prepar' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/prepar' Making libraries in esp gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/esp' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/esp' Compiling esp.F... Compiling esp_dalloc.F... Compiling esp_denmat.F... Compiling esp_elemom.F... Compiling esp_esp.F... Compiling esp_fastesp.F... Compiling esp_getden.F... Compiling esp_fit.F... Compiling esp_getg.F... Compiling esp_getx.F... Compiling esp_grdcnt.F... Compiling esp_grid.F... Compiling esp_input.F... Compiling esp_malloc.F... Compiling esp_matinv.F... Compiling esp_out.F... Compiling esp_plt.F... Compiling esp_rms.F... Compiling esp_rtdbin.F... Compiling esp_wrtinp.F... Compiling esp_jacobi.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/esp' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/esp' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libesp.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libesp.a esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libesp.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libesp.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libesp.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/esp' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/esp' Making libraries in hessian gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian' Compiling hess_blas.F... Compiling hess_input.F... Making all in analytic gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic' Making all in dft gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic/dft' Compiling hess_anal.F... Compiling hess_init.F... Compiling hess_energyinit.F... Compiling xc_d2expl.F... Compiling hess_check.F... Compiling nucdd_cont.F... gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic/dft' Compiling nucdd_calc.F... Compiling oned_calc.F... Compiling onedd_cont.F... Compiling xc_cpks_coeff.F... Compiling get_wdens.F... Compiling xc_exit_index.F... Compiling onedd_calc.F... Compiling xc_init_index.F... Compiling hess_dipder.F... Compiling xc_nucder_gen.F... xc_nucder_gen.F:26:43: , g_dens, nactive, oactive, hess, 0, 2) 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-3 and scalar) [-Wargument-mismatch] xc_nucder_gen.F:53:38: , g_dens, nactive, oactive, 0d0, g_rhs, 3) 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) [-Wargument-mismatch] Compiling twodd_cont.F... Compiling dft_3dacc.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic/dft' Compiling twodd_coul_ex.F... Compiling shell_fock_build.F... gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic/dft' Compiling shell_fock_build_cam.F... Compiling hess_cphf.F... Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libhessian.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libhessian.a xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libhessian.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libhessian.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libhessian.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic/dft' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic/dft' Compiling hess_pxfy.F... Compiling hess_sxsy.F... Compiling sx_dra.F... Compiling hess_wrt.F... Compiling hess_restart.F... Compiling hess_hssout.F... Compiling hess_print.F... Compiling hess_tidy.F... Compiling uhf_fock_setup.F... Compiling uhf_fock_finish.F... Compiling print_dens_bit.F... Compiling shell_fock_build_ext.F... Compiling hess_utils.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libhessian.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libhessian.a hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libhessian.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libhessian.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian/analytic' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libhessian.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libhessian.a hess_blas.o hess_input.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libhessian.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libhessian.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/hessian' Making libraries in selci gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/selci' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/selci' Compiling prtri.F... Compiling iprtri.F... Compiling selci_icopy.f... Compiling selci_yacobi.f... Compiling selci_output.f... selci_output.f:35:33: 1 8h-------- /,blank/8h / 1 Warning: Legacy Extension: Hollerith constant at (1) selci_output.f:35:33: 1 8h-------- /,blank/8h / 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) selci_output.f:34:37: data column/8hcolumn /,asa/8h ,8h00000000 , 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) selci_output.f:34:50: data column/8hcolumn /,asa/8h ,8h00000000 , 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) selci_output.f:35:13: 1 8h-------- /,blank/8h / 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) selci_output.f:34:20: data column/8hcolumn /,asa/8h ,8h00000000 , 1 Warning: Extension: Conversion from HOLLERITH to REAL(8) at (1) Compiling tred1.f... Compiling tqlrat.f... Compiling loadw.F... Compiling rdhint.F... tqlrat.f:152:0: if (dabs(e2(l)) .le. dabs(c/h)) go to 210 Warning: 'c' may be used uninitialized in this function [-Wmaybe-uninitialized] tqlrat.f:145:0: h = g * p / r Warning: 'b' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling rdhcon.f... Compiling rdhwmt.f... Compiling rdconf.f... Compiling upkcon.F... Compiling prtcon.f... Compiling wrtcon.f... Compiling iodiff.F... Compiling bserch.F... Compiling popcnt32.F... Compiling readh.F... Compiling selci_renorm.f... Compiling selci_sread.f... Compiling selci_swrite.f... Compiling pkcon.F... Compiling wthcon.f... Compiling wtconf.f... Compiling vadd.f... Compiling idmin.f... Compiling isum.f... Compiling rd1.F... Compiling fcidim.F... rd1.F:43:72: call selci_ulab16(buf(lbuf),info,4) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) [-Wargument-mismatch] rd1.F:61:72: call selci_ulab16(buf(lbuf),info,4) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) [-Wargument-mismatch] rd1.F:64:72: call selci_ulab8(buf(nipbuf+1),ibuf,2*num) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) [-Wargument-mismatch] rd1.F:101:72: call selci_ulab16(buffer(lenbuf),info,4) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) [-Wargument-mismatch] rd1.F:105:72: call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) [-Wargument-mismatch] Compiling axb.f... Compiling axbt.f... Compiling gettim.f... Compiling cputm.c... Compiling minit.F... Compiling mxmb.f... Compiling davids.F... Compiling selci_check.f... Compiling sigma.F... davids.F:102:72: $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling conf.F... conf.F:58:72: call selci_start(rtdb, title, q(irefo)) 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] conf.F:467:72: call selci_excit(irefo, q(ioccrf), q(ixstak)) 1 Warning: Type mismatch in argument 'ioccrf' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] conf.F:62:72: call selci_refgen(q, q(irefo),q(jrefo)) 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] conf.F:67:72: call selci_chkci(q(irefo),q(indxci),wmatrx) 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling ci.F... Compiling initci.F... Compiling rdhead.F... Compiling load.F... Compiling loada.F... Compiling mkinta.F... Compiling pconls.F... Compiling makeh.F... Compiling mkindb.f... Compiling eij.F... Compiling eijeji.F... Compiling makehd.F... Compiling makef.F... Compiling loadg.F... Compiling getij.F... Compiling makehs.F... Compiling eirerj.F... Compiling loadab.F... Compiling couple.c... Compiling gtijkl.F... Compiling eijkj.F... Compiling makhdb.F... Compiling eijil.F... Compiling mknsneed.F... Compiling eijkl.F... Compiling putinb.F... Compiling inicij.F... Compiling ointer.F... Compiling oeq.f... Compiling selci_select.F... Compiling selci.F... Compiling ptidy.F... Compiling anal.F... Compiling mkindx.F... Compiling slect.F... Compiling tester.F... Compiling mkdele.F... Compiling mkvc.F... Compiling e0mp2.F... Compiling mpdele.F... Compiling stool.F... Compiling restk.F... Compiling restin.F... Compiling orbanal.F... Compiling selci_hpp.F... Compiling mxma.f... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/selci' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/selci' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libselci.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libselci.a iprtri.o prtri.o selci_icopy.o selci_output.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o popcnt32.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libselci.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libselci.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libselci.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/selci' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/selci' Making libraries in dplot gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dplot' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dplot' Compiling dplot.F... Compiling get_grid.F... dplot.F:441:0: Call ycopy(3*nAtom,Dbl_mb(k_xyz),1,Dbl_mb(k_Grid+3*Atom_Off),1) Warning: 'atom_off' may be used uninitialized in this function [-Wmaybe-uninitialized] dplot.F:44:0: Integer nGrid,k_Grid,l_Grid,nPoint,nAtom,iAtom,Atom_Off note: 'atom_off' was declared here Compiling create_contour.F... Compiling dmat.F... Compiling errmem.F... Compiling get_dens.F... Compiling dplot_input.F... Compiling get_charges.F... Compiling dplot_defgrid.F... Compiling dplot_dump.F... Compiling dplot_dos.F... dplot_dos.F:153:25: call dplot_dos(nbf,nmo,span,traslx,nstep,sigma, 1 Warning: Rank mismatch in argument 'nmo' at (1) (scalar and rank-1) [-Wargument-mismatch] dplot_dos.F:248:0: emax=efermi+span/au2ev Warning: 'efermi' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling ao_rdm_read.F... ao_rdm_read.F:123:0: return Warning: '__result_ao_rdm_read' may be used uninitialized in this function [-Wmaybe-uninitialized] ao_rdm_read.F:1:0: logical function ao_rdm_read(filename,basis, g_dens) note: '__result_ao_rdm_read' was declared here Compiling get_transden.F... Compiling get_diffden.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dplot' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dplot' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdplot.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdplot.a dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdplot.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdplot.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdplot.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dplot' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dplot' Making libraries in mp2_grad gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mp2_grad' Compiling mp2_grad.F... Compiling mp2_energy.F... Compiling mp2_grad_doit.F... Compiling mp2_make_cphf_rhs.F... Compiling mp2_make_tot_dens.F... Compiling mp2_make_tot_wdens.F... Compiling mp2_make_dip_mom.F... Compiling mp2_pstat.F... Compiling mp2_input.F... Compiling mp2_make_piy.F... Compiling mp2_make_nos.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mp2_grad' Compiling mp2_back_transform.F... mp2_back_transform.F:88:41: $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) 1 Warning: Rank mismatch in argument 'shdim' at (1) (rank-1 and scalar) [-Wargument-mismatch] Compiling mp2_read_tiajb.F... Compiling mp2_pijab_uhf.F... mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'ylo_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:808:0: $ ylo_cur, yhi_cur, udim_cur, vdim_cur, xdim_cur, ydim_cur note: 'ylo_cur' was declared here mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'yhi_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:808:0: $ ylo_cur, yhi_cur, udim_cur, vdim_cur, xdim_cur, ydim_cur note: 'yhi_cur' was declared here mp2_back_transform.F:1066:0: $ density(y,x,v,u)*eri(icart,1) Warning: 'ycent' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:795:0: integer xcent, ycent, ucent, vcent, ijkl, xsh_start, ysh_start note: 'ycent' was declared here mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'xlo_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:807:0: $ ulo_cur, uhi_cur, vlo_cur, vhi_cur, xlo_cur, xhi_cur, note: 'xlo_cur' was declared here mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'xhi_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:807:0: $ ulo_cur, uhi_cur, vlo_cur, vhi_cur, xlo_cur, xhi_cur, note: 'xhi_cur' was declared here mp2_back_transform.F:1064:0: $ density(y,x,v,u)*eri(icart,2) Warning: 'xcent' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:795:0: integer xcent, ycent, ucent, vcent, ijkl, xsh_start, ysh_start note: 'xcent' was declared here mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'vlo_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:807:0: $ ulo_cur, uhi_cur, vlo_cur, vhi_cur, xlo_cur, xhi_cur, note: 'vlo_cur' was declared here mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'vhi_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:807:0: $ ulo_cur, uhi_cur, vlo_cur, vhi_cur, xlo_cur, xhi_cur, note: 'vhi_cur' was declared here mp2_back_transform.F:1062:0: $ density(y,x,v,u)*eri(icart,3) Warning: 'vcent' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:795:0: integer xcent, ycent, ucent, vcent, ijkl, xsh_start, ysh_start note: 'vcent' was declared here mp2_back_transform.F:1045:0: $ density, eri, grad ) Warning: 'ulo_cur' may be used uninitialized in this function [-Wmaybe-uninitialized] mp2_back_transform.F:807:0: $ ulo_cur, uhi_cur, vlo_cur, vhi_cur, xlo_cur, xhi_cur, note: 'ulo_cur' was declared here Compiling mp2_wijab_uhf.F... Compiling mp2_lai_uhf.F... Compiling mp2_lai_fock_uhf.F... Compiling mp2_memory.F... Compiling mp2_make_tuhf.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mp2_grad' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mp2_grad' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmp2.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmp2.a mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmp2.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmp2.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmp2.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mp2_grad' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mp2_grad' Making libraries in qhop gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qhop' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qhop' Compiling qhop_setup.F... qhop_setup.F:357:39-48: read(lfnhdb,1005) (zpef(numpar+1,i),i=1,6) 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_setup.F:434:32-41: write(lfntop,1005)(zpef(i,m),m=1,6) 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) Compiling qhop_asite.F... Compiling qhop_dsite.F... Compiling qhop_prob.F... qhop_setup.F:98:0: integer prtin(2),flseq,flhv,nseql,eof,ptat(3) Warning: 'ptat[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling qhop_init.F... qhop_init.F:185:35-44: read(lfntop,1005) (zpef(ipar,i),i=1,6) 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:197:35-44: write(lfnout,1005)(zpef(ipar,i),i=1,6) 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) Compiling qhop_pindex.F... Compiling qhop_final.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qhop' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qhop' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqhop.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqhop.a qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqhop.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqhop.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqhop.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qhop' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qhop' Making libraries in property gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/property' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/property' Compiling hnd_efgmap.F... hnd_efgmap.F:40:0: integer i_qbq Warning: 'i_qbq' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_efgmap.F:39:0: integer i_cbq Warning: 'i_cbq' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling hnd_efgmap_z4.F... hnd_efgmap_z4.F:24:0: #include "msgids.fh" ! Added by FA - for NLMO analysis Warning: extra tokens at end of #include directive hnd_efgmap_z4.F:25:0: #include "zora.fh" ! Added by FA Warning: extra tokens at end of #include directive hnd_efgmap_z4.F:926:0: #include "msgids.fh" ! Added by FA - for tag msg_efgs_col Warning: extra tokens at end of #include directive Compiling hnd_elfmap.F... Compiling hnd_elpmap.F... Compiling hnd_eldmap.F... Compiling hnd_elpiso.F... Compiling hnd_spind.F... Compiling hnd_elfcon.F... Compiling hnd_elfcon_symm.F... hnd_elfcon_symm.F:35:0: #include "zora.fh" ! for lbl_nlmo Warning: extra tokens at end of #include directive Compiling hnd_mtpcon.F... Compiling hnd_mtpole.F... Compiling prop_input.F... hnd_mtpole.F:938:0: do i = 1, ndens Warning: 'ndens' is used uninitialized in this function [-Wuninitialized] Compiling prop.F... Compiling prp.F... Compiling hnd_mulken.F... Compiling wnbofile.F... Compiling wefgfile.F... wefgfile.F:49:0: #include "zora.fh" ! FA-04-24-10 Warning: extra tokens at end of #include directive wnbofile.F:61:0: integer atn, charge, maxL, nat, nbf, ncont, ngeno, nmo, Warning: 'maxl' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling whypfile.F... whypfile.F:58:0: #include "zora.fh" ! FA-04-24-10 Warning: extra tokens at end of #include directive Compiling wgshiftfile.F... wgshiftfile.F:58:0: #include "zora.fh" ! FA-04-24-10 Warning: extra tokens at end of #include directive whypfile.F:302:0: open (lfn, file=fname_hyp, status='unknown') Warning: 'lfn' may be used uninitialized in this function [-Wmaybe-uninitialized] whypfile.F:82:0: integer lfn note: 'lfn' was declared here Compiling wshldfile.F... wshldfile.F:51:0: #include "zora.fh" ! FA-04-24-10 Warning: extra tokens at end of #include directive wshldfile.F:296:0: open (lfn, file=fname_shield, status='unknown') Warning: 'lfn' may be used uninitialized in this function [-Wmaybe-uninitialized] wshldfile.F:73:0: integer lfn note: 'lfn' was declared here wgshiftfile.F:316:0: open (lfn, file=fname_gshift, status='unknown') Warning: 'lfn' may be used uninitialized in this function [-Wmaybe-uninitialized] wgshiftfile.F:85:0: integer lfn note: 'lfn' was declared here Compiling hnd_prp_get_dens.F... Compiling hnd_prp_vec_read.F... Compiling hnd_prop_dens_make.F... Compiling hnd_property.F... Compiling giaofock.F... Compiling hnd_giaox.F... Compiling hnd_hyperfine_zora.F... hnd_hyperfine_zora.F:764:0: #include "zora.fh" ! for num NMRCS-Z4 Warning: extra tokens at end of #include directive hnd_hyperfine_zora.F:849:0: #include "zora.fh" ! for hyperfine Warning: extra tokens at end of #include directive giaofock.F:930:0: g_dens=g_dens0 Warning: 'g_dens0' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling hnd_gshift_zora.F... Compiling hnd_giaox_zora.F... giaofock.F:23:0: integer npol,ntot Warning: 'ntot' may be used uninitialized in this function [-Wmaybe-uninitialized] giaofock.F:151:0: cam_beta1 =factor_cam*cam_beta Warning: 'factor_cam' may be used uninitialized in this function [-Wmaybe-uninitialized] giaofock.F:42:0: double precision factor_cam,cam_alpha1,cam_beta1 note: 'factor_cam' was declared here Compiling int_giao_1ega.F... int_giao_1ega.F:203:0: call ycopy(nextbq,dbl_mb(k_qextbq),1,dbl_mb(k_qbq),1) Warning: 'k_qextbq' may be used uninitialized in this function [-Wmaybe-uninitialized] int_giao_1ega.F:57:0: integer k_qextbq,k_cextbq note: 'k_qextbq' was declared here int_giao_1ega.F:204:0: call ycopy(3*nextbq,dbl_mb(k_cextbq),1,dbl_mb(k_cbq),1) Warning: 'k_cextbq' may be used uninitialized in this function [-Wmaybe-uninitialized] int_giao_1ega.F:57:0: integer k_qextbq,k_cextbq note: 'k_cextbq' was declared here int_giao_1ega.F:148:0: max1e = max1e*nblocks Warning: 'nblocks' may be used uninitialized in this function [-Wmaybe-uninitialized] int_giao_1ega.F:45:0: integer nblocks note: 'nblocks' was declared here giaofock.F:366:0: integer npol,ntot Warning: 'ntot' may be used uninitialized in this function [-Wmaybe-uninitialized] giaofock.F:503:0: cam_beta1 =factor_cam*cam_beta Warning: 'factor_cam' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling giao_aotomo.F... Compiling hnd_diag.F... Compiling hnd_spinspin.F... Compiling hnd_sdfc.F... hnd_hyperfine_zora.F:568:0: & span*conv2MHz, Warning: 'conv2mhz' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:37:0: double precision a(6),axs(3,3),eig(3),conv2MHz note: 'conv2mhz' was declared here Compiling hnd_psoten.F... Compiling hnd_dsoten.F... Compiling prop_atom.F... Compiling aoresponse_driver.F... Compiling aoresponse_driver_new.F... Compiling int_mpole_1ega.F... hnd_gshift_zora.F:5202:0: par_arr(7,iy,ix)=val_ov_noJK*coeffpol*ppt*(-0.25d0) Warning: 'val_ov_nojk' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:5201:0: par_arr(6,iy,ix)=val_ov_Exch*coeffpol*ppt*(-0.25d0) Warning: 'val_ov_exch' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:5204:0: par_arr(9,iy,ix)=val_ov_eSji*coeffpol*ppt*(-0.25d0) Warning: 'val_ov_esji' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:5200:0: par_arr(5,iy,ix)=val_ov_Coul*coeffpol*ppt*(-0.25d0) Warning: 'val_ov_coul' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:5203:0: par_arr(8,iy,ix)=val_ov_1e*coeffpol*ppt*(-0.25d0) Warning: 'val_ov_1e' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling aoresponse.F... hnd_gshift_zora.F:2125:0: & natoms,oskel) Warning: 'k_xyz' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_gshift_zora.F:4939:0: & natoms,oskel) Warning: 'k_xyz' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling aoresponse_beta.F... Compiling aor_write_roadata.F... Compiling aoresponse_beta2.F... Compiling fiao_f1_movecs.F... Compiling aor_r1_tensor.F... Compiling aor_r1_tensor_giao.F... aor_r1_tensor.F:127:0: double precision ga_trace_diag,coeffre,coeffim Warning: 'coeffim' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling aor_r1_beta.F... Compiling aor_r1_beta_anl.F... Compiling giao_b1_movecs.F... Compiling fiao_b1_movecs.F... Compiling get_vecB1.F... Compiling get_vecF1.F... Compiling aor_get_fiaoints.F... Compiling aor_get_giaoints.F... Compiling aoresponse_giao_rhs.F... Compiling get_alfaorbeta_reim.F... Compiling CalcPerturbedTDPmat1.F... get_alfaorbeta_reim.F:411:0: bhi(3) = ind2 Warning: 'ind2' may be used uninitialized in this function [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:405:0: ahi(3) = ind1 Warning: 'ind1' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling CalcPerturbedTDPmat1_opt.F... Compiling localization_driver.F... get_alfaorbeta_reim.F:247:0: bhi(3) = ind2 Warning: 'ind2' may be used uninitialized in this function [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:241:0: ahi(3) = ind1 Warning: 'ind1' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling hnd_vec_write.F... Compiling giao_b1_movecs_tools.F... Compiling aor_r1_beta_anl_tools.F... Compiling task_raman.F... Compiling raman_input.F... Compiling raman.F... Compiling waimfile.F... Compiling hnd_eldmap_grid.F... Compiling prop_moldenfile.F... Compiling prop_grid.F... Compiling prop_polfromsos.F... waimfile.F:1152:0: integer np,iorb,forb,nsf Warning: 'nsf' may be used uninitialized in this function [-Wmaybe-uninitialized] waimfile.F:1152:0: Warning: 'iorb' may be used uninitialized in this function [-Wmaybe-uninitialized] waimfile.F:1152:0: Warning: 'forb' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/property' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/property' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libproperty.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libproperty.a hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libproperty.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libproperty.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libproperty.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/property' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/property' Making libraries in solvation gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/solvation' Compiling mnsol_mem.F... Compiling mnsol_interface.F... Compiling mnsol.F... mnsol.F:1436:31: IF (LGRX) CALL SCOPYMN(3,0D0,0,DAREA(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) [-Wargument-mismatch] mnsol.F:1562:42: IF (LGRX) CALL SCOPYMN(3*(NCROSS+1),0D0,0,DCASLC(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) [-Wargument-mismatch] mnsol.F:1785:43: IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAPLY(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) [-Wargument-mismatch] mnsol.F:1788:43: IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAODD(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) [-Wargument-mismatch] mnsol.F:158:72: $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) 1 Warning: Type mismatch in argument 'nc' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] mnsol.F:56:19: CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, 1 Warning: Rank mismatch in argument 'c' at (1) (rank-2 and scalar) [-Wargument-mismatch] Compiling solv_data.F... Compiling cosmo_smd_output.F... Compiling cosmo_vem_output.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/solvation' Compiling cosmo_input.F... Compiling cosmo_initialize.F... Compiling cosmo_tidy.F... Compiling cosmo_def_radii.F... Compiling cosmo_charges.F... Compiling hnd_cosmo_lib.F... Compiling grad_hnd_cos.F... grad_hnd_cos.F:114:0: double precision zeta1, zeta2, zeta12 Warning: 'zeta1' may be used uninitialized in this function [-Wmaybe-uninitialized] grad_hnd_cos.F:125:0: double precision rin, rout, alphai, xyzff Warning: 'xyzff' may be used uninitialized in this function [-Wmaybe-uninitialized] grad_hnd_cos.F:112:0: double precision dE, qfac, fact, dx, dy, dz, rr Warning: 'fact' may be used uninitialized in this function [-Wmaybe-uninitialized] hnd_cosmo_lib.F:2411:72: 1 x(i40),x(i50),ierr,nodcmp) 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] hnd_cosmo_lib.F:2427:72: 1 x(i40),x(i50),ierr,nodcmp) 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/solvation' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/solvation' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libsolvation.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libsolvation.a mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o hnd_cosmo_lib.o grad_hnd_cos.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libsolvation.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libsolvation.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libsolvation.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/solvation' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/solvation' Making libraries in nwpw gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw' Compiling nwpw_input.F... Compiling nwpw_default.F... Compiling nwpw_vectors_input.F... Making all in nwpwlib gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib' Making all in Parallel gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Parallel' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Parallel' Compiling Parallel.F... Compiling Parallel-mpi.F... Parallel-mpi.F:203:72: call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:214:72: call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:380:72: call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:394:72: call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:407:72: call stupid_icopy8to4(np_k,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:966:72: call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:971:72: call stupid_icopy4to8(n,int_mb(sumall(1)),sum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1162:72: call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1165:72: call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1252:72: call stupid_icopy8to4(nreq,req,int_mb(request2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1327:72: call stupid_icopy8to4(nreq,req,int_mb(request2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1668:72: call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1673:72: call stupid_icopy4to8(n,int_mb(sumall(1)),sum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1874:72: call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:1877:72: call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:2249:72: call stupid_icopy8to4(nsize,ival,int_mb(ival4(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] Parallel-mpi.F:2388:72: call stupid_icopy4to8(nsize,int_mb(ival4(1)),ival) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) [-Wargument-mismatch] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Parallel' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Parallel' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a Parallel.o Parallel-mpi.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Parallel' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Parallel' Making all in D1dB gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D1dB' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D1dB' Compiling D1dB.F... Compiling Dne.F... Compiling Dnex.F... Compiling skew.F... Compiling Dne_omp.F... Compiling D1dB-mpi.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D1dB' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D1dB' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D1dB' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D1dB' Making all in D3dB gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D3dB' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D3dB' Compiling D3dB-new.F... Compiling generate_map_indexes.F... D3dB-new.F:1698:72: call cshift1_fftb(nx(nb),ny(nb),nq(nb),1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-new.F:1707:72: call zeroend_fftb(nx(nb),ny(nb),nq(nb),1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-new.F:1793:72: call cshift1_fftb(nx(nb),nq1(nb),1,1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-new.F:1799:72: call zeroend_fftb(nx(nb),nq1(nb),1,1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-new.F:2236:72: call cshift_fftf(nx(nb),ny(nb),nq(nb),1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-new.F:2396:72: call cshift_fftf(nx(nb),nq1(nb),1,1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] Compiling hilbert.c... hilbert.c: In function 'hilbert2d': hilbert.c:126:15: warning: variable 'direction' set but not used [-Wunused-but-set-variable] int start,direction; ^~~~~~~~~ hilbert.c: In function 'hilbert_dir': hilbert.c:269:11: warning: 'direction' may be used uninitialized in this function [-Wmaybe-uninitialized] return direction; ^~~~~~~~~ Compiling hcurve.c... Compiling olist.c... Compiling trans.F... Compiling D3dB_pfft.F... Compiling D3dB-mpi.F... D3dB-mpi.F:3907:72: > dcpl_mb(tmp2(1))) !*** map1to3 operation *** 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-mpi.F:4147:72: > dcpl_mb(tmp2(1))) !*** map1to3 operation *** 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-mpi.F:5168:72: > dcpl_mb(tmp2(1))) !*** map3to1 operation *** 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] D3dB-mpi.F:629:0: integer i,nnfft3d Warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] D3dB-mpi.F:426:0: integer i,nnfft3d Warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D3dB' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D3dB' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a D3dB-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dB-mpi.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D3dB' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/D3dB' Making all in Pneb gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Pneb' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Pneb' Compiling Pneb.F... Pneb.F:1988:72: > sum2) 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Pneb.F:1990:72: call Pneb_makeOrtho(ms,nbq,npack1,dbl_mb(a_shift)) 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Pneb.F:1994:72: > sum3) 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Pneb.F:2424:72: > tmp) 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Pneb.F:3478:72: > dbl_mb(svec_shift)) 1 Warning: Type mismatch in argument 'y' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Pneb' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Pneb' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a Pneb.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Pneb' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/Pneb' Making all in K1dB gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/K1dB' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/K1dB' Compiling K1dB.F... Compiling K1dB-mpi.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/K1dB' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/K1dB' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a K1dB.o K1dB-mpi.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/K1dB' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/K1dB' Making all in C3dB gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/C3dB' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/C3dB' Compiling C3dB-new.F... Compiling c_trans.F... Compiling C3dB_pfft.F... Compiling C3dB-mpi.F... C3dB-mpi.F:2893:72: > dcpl_mb(tmp2(1))) !*** map1to3 operation *** 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] C3dB-mpi.F:433:0: integer i,nnfft3d Warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] C3dB-mpi.F:617:0: integer i,nnfft3d Warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/C3dB' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/C3dB' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/C3dB' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/C3dB' Making all in DMatrix gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/DMatrix' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/DMatrix' Compiling DMatrix.F... Compiling DMatrix-mpi.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/DMatrix' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/DMatrix' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a DMatrix.o DMatrix-mpi.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/DMatrix' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/DMatrix' Making all in CMatrix gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/CMatrix' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/CMatrix' Compiling CMatrix.F... Compiling CMatrix-mpi.F... CMatrix-mpi.F:1857:0: integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 Warning: 'shft3' may be used uninitialized in this function [-Wmaybe-uninitialized] CMatrix-mpi.F:1857:0: Warning: 'shft2' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/CMatrix' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/CMatrix' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a CMatrix.o CMatrix-mpi.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/CMatrix' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/CMatrix' Making all in TMatrix gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TMatrix' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TMatrix' Compiling dgemm_omp.F... Compiling dgamm_omp.F... Compiling daxpy_omp.F... Compiling dscal_omp.F... Compiling ffm_multiply_omp_group.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TMatrix' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TMatrix' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a dgemm_omp.o dgamm_omp.o daxpy_omp.o dscal_omp.o ffm_multiply_omp_group.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TMatrix' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TMatrix' Making all in control gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/control' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/control' Compiling control.F... Compiling psi_get_ne.F... Compiling psi_get_version.F... Compiling psi_get_header.F... Compiling cpsi_get_header.F... Compiling rho_check_header.F... Compiling get_psp_type.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/control' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/control' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/control' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/control' Making all in lattice gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/lattice' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/lattice' Compiling lattice.f... Compiling mask_init.F... Compiling pack.F... Compiling cloak.F... Compiling cram.F... Compiling balance.F... Compiling c_balance.F... Compiling G_init.F... Compiling c_G_init.F... Compiling strfac.F... Compiling cstrfac.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/lattice' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/lattice' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/lattice' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/lattice' Making all in io gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/io' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/io' Compiling compressed_io.c... Compiling nwpw_message.F... Compiling second.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/io' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/io' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a compressed_io.o nwpw_message.o second.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/io' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/io' Making all in ion gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion' Making all in shake gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion/shake' Compiling center.f... gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion/shake' Compiling ion_FixIon.F... Compiling incell1.f... Compiling incell2.f... Compiling incell3.f... Compiling shake_chain.F... Compiling unfold.f... Compiling shake_chain2.F... Compiling xyz.F... Compiling shake_chain3.F... Compiling ion.F... Compiling shake_bonddiff.F... Compiling katm_list.F... Compiling shake_analysis.F... Compiling fcoord.f... Compiling molecular.F... Compiling seperate_molpsp.F... Compiling pspw_molecule.c... Compiling seperate_pointcharge.F... Compiling pspw_atom.c... Compiling ion_scaling_atoms.F... Compiling pspw_bond.c... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion/shake' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion/shake' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion/shake' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion/shake' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ion' Making all in pseudopotential gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential' Compiling psp_generator_input.F... Compiling pspsolve.c... In file included from pspsolve.c:19: rpspsolve.c: In function 'rpspsolve_': rpspsolve.c:84:9: warning: unused variable 'soutfile' [-Wunused-variable] char *soutfile = (char *) malloc (m0 + m2 + 9); ^~~~~~~~ rpspsolve.c:66:16: warning: unused variable 'l' [-Wunused-variable] int i, j, k, l, p, Nlinear, Nvalence; ^ rpspsolve.c:66:10: warning: unused variable 'j' [-Wunused-variable] int i, j, k, l, p, Nlinear, Nvalence; ^ rpspsolve.c:66:7: warning: unused variable 'i' [-Wunused-variable] int i, j, k, l, p, Nlinear, Nvalence; ^ Compiling hgh_parse.c... hgh_parse.c: In function 'hgh_parse_': hgh_parse.c:85:14: warning: unused variable 'words' [-Wunused-variable] char words[20][80]; ^~~~~ hgh_parse.c:84:19: warning: unused variable 'value' [-Wunused-variable] int argc,value; ^~~~~ hgh_parse.c:84:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] int argc,value; ^~~~ hgh_parse.c:83:14: warning: unused variable 'line' [-Wunused-variable] char line[255]; ^~~~ hgh_parse.c:66:14: warning: unused variable 'nmax_l' [-Wunused-variable] int nmax_l[4]; ^~~~~~ hgh_parse.c:63:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] double rlocal_out; ^~~~~~~~~~ hgh_parse.c:62:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] int lmax_out,locp_out; ^~~~~~~~ hgh_parse.c:62:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] int lmax_out,locp_out; ^~~~~~~~ Compiling cpi_parse.c... cpi_parse.c: In function 'cpi_parse_': cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] int argc,value; ^~~~ Compiling teter_parse.c... teter_parse.c: In function 'teter_parse_': teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] int argc; ^~~~ teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] double r0,xx; ^~ Compiling carter_parse.c... carter_parse.c: In function 'carter_parse_': carter_parse.c:97:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] int argc; ^~~~ carter_parse.c:89:35: warning: unused variable 'e999' [-Wunused-variable] double r2well,rcore[10],e99,e999; ^~~~ carter_parse.c:89:31: warning: unused variable 'e99' [-Wunused-variable] double r2well,rcore[10],e99,e999; ^~~ carter_parse.c:87:14: warning: unused variable 'n' [-Wunused-variable] int n[10]; ^ carter_parse.c:86:17: warning: unused variable 'xx' [-Wunused-variable] double r0,xx; ^~ carter_parse.c:86:14: warning: unused variable 'r0' [-Wunused-variable] double r0,xx; ^~ carter_parse.c:85:24: warning: variable 'lmaxp' set but not used [-Wunused-but-set-variable] int lmax,locp,lmaxp; ^~~~~ carter_parse.c:83:22: warning: unused variable 'rmax' [-Wunused-variable] double drl=0.0,rmax; ^~~~ carter_parse.c:82:7: warning: unused variable 'pspl' [-Wunused-variable] **pspl; ^~~~ carter_parse.c:81:7: warning: unused variable 'psil' [-Wunused-variable] **psil, ^~~~ carter_parse.c:80:66: warning: unused variable 'sc_drhol' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~~~ carter_parse.c:80:56: warning: unused variable 'sc_drho' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~~ carter_parse.c:80:46: warning: unused variable 'sc_rhol' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~~ carter_parse.c:80:37: warning: unused variable 'sc_rho' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~ carter_parse.c:80:30: warning: unused variable 'tmp2' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~ carter_parse.c:80:24: warning: unused variable 'tmp' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~ carter_parse.c:80:19: warning: unused variable 'rl' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~ carter_parse.c:77:18: warning: unused variable 'l' [-Wunused-variable] int i,k,l,p,p1; ^ carter_parse.c:76:15: warning: unused variable 'nl' [-Wunused-variable] int *nl; ^~ carter_parse.c:74:12: warning: variable 'over_fourpi' set but not used [-Wunused-but-set-variable] double over_fourpi; ^~~~~~~~~~~ Compiling qmmm_parse.c... qmmm_parse.c: In function 'qmmm_parse_': qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] int argc; ^~~~ qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; ^~~~~~~ Compiling get_word.c... Compiling name.c... Compiling loggrid.c... pspsolve.c: In function 'pspsolve_': pspsolve.c:77:42: warning: 'psil_extra' may be used uninitialized in this function [-Wmaybe-uninitialized] double *rl, *rhol, **psil_ae,**psil, **psil_extra, **pspl; ^~~~~~~~~~ Compiling pred_cor.c... Compiling spline.c... Compiling grids.c... grids.c: In function 'dealloc_Grid': grids.c:142:42: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] printf(" address: %lx\n", grid); ~~^ ~~~~ grids.c:147:23: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] printf("%lx ", cur->grid); ~~^ ~~~~~~~~~ Compiling atom.c... atom.c: In function 'solve_Atom': atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] int it, converged, sz; ^~ atom.c: In function 'solve_Scattering_State_Atom': atom.c:546:7: warning: unused variable 'st' [-Wunused-variable] int st; ^~ atom.c: In function 'print_Atom': atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] int i, st; ^~ Compiling schrodin.c... Compiling pauli.c... pauli.c: In function 'R_Pauli_Fixed_E': pauli.c:346:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] node, ^~~~ Compiling dirac.c... dirac.c: In function 'R_Dirac': dirac.c:43:9: warning: unused variable 'L0' [-Wunused-variable] L2, L0, ^~ dirac.c: In function 'R_Dirac_Fixed_E': dirac.c:319:33: warning: unused variable 'L0' [-Wunused-variable] log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; ^~ dirac.c: In function 'R_Dirac_FixedLogDeriv': dirac.c:459:13: warning: unused variable 'scale' [-Wunused-variable] sum, a, scale, m1scale, ^~~~~ dirac.c:459:10: warning: unused variable 'a' [-Wunused-variable] sum, a, scale, m1scale, ^ dirac.c:457:9: warning: unused variable 'L0' [-Wunused-variable] L2, L0, ^~ dirac.c:449:32: warning: unused variable 'Ninf' [-Wunused-variable] int i, j, iteration, node, Ninf, Ngrid; ^~~~ Compiling zora.c... zora.c: In function 'R_ZORA': zora.c:45:9: warning: unused variable 'L0' [-Wunused-variable] L2, L0, ^~ zora.c: In function 'R_ZORA_Fixed_E': zora.c:321:33: warning: unused variable 'L0' [-Wunused-variable] log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; ^~ Compiling dft.c... dft.c: In function 'R_Screening_Cut': dft.c:140:13: warning: variable 'n0' set but not used [-Wunused-but-set-variable] int k,NN,n0,n1=0; ^~ dft.c:162:14: warning: 'v0' may be used uninitialized in this function [-Wmaybe-uninitialized] m = (v1-v0)/(r1-r0); ~~~^~~~ dft.c:162:22: warning: 'r0' may be used uninitialized in this function [-Wmaybe-uninitialized] m = (v1-v0)/(r1-r0); ~~~^~~~ Compiling hartree.c... Compiling dirac_exchange.c... Compiling perdew_wang.c... perdew_wang.c: In function 'R_Perdew_Wang': perdew_wang.c:46:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] double sevensixth; ^~~~~~~~~~ perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] double onesixth; ^~~~~~~~ Compiling perdew_zunger.c... perdew_zunger.c: In function 'R_Perdew_Zunger': perdew_zunger.c:56:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] double two_to_onethird; ^~~~~~~~~~~~~~~ perdew_zunger.c:55:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] double onethird,fourthird,twothird; ^~~~~~~~ perdew_zunger.c:55:21: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] double onethird,fourthird,twothird; ^~~~~~~~~ Compiling vosko.c... vosko.c: In function 'R_Vosko': vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] double two_to_onethird; ^~~~~~~~~~~~~~~ vosko.c:85:40: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] double onesixth,onethird,fourthird,twothird; ^~~~~~~~ vosko.c:85:30: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] double onesixth,onethird,fourthird,twothird; ^~~~~~~~~ Compiling pbe_exchange.c... pbe_exchange.c: In function 'R_PBE96_Exchange': pbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] double onethird,fourthird,twothird; ^~~~~~~~ Compiling pbe_correlation.c... pbe_correlation.c: In function 'R_PBE96_Correlation': pbe_correlation.c:50:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] double sevensixth; ^~~~~~~~~~ pbe_correlation.c:49:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] double onesixth; ^~~~~~~~ Compiling revpbe_exchange.c... revpbe_exchange.c: In function 'R_revPBE_Exchange': revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] double onethird,fourthird,twothird; ^~~~~~~~ Compiling revpbe_correlation.c... revpbe_correlation.c: In function 'R_revPBE_Correlation': revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] double sevensixth; ^~~~~~~~~~ revpbe_correlation.c:51:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] double onesixth; ^~~~~~~~ Compiling becke_exchange.c... becke_exchange.c: In function 'R_Becke_Exchange': becke_exchange.c:59:13: warning: variable 'G2dr' set but not used [-Wunused-but-set-variable] double *G2dr; ^~~~ becke_exchange.c:57:13: warning: variable 'G2' set but not used [-Wunused-but-set-variable] double *G2; ^~ becke_exchange.c:37:41: warning: unused variable 'two_onethird' [-Wunused-variable] double rho_fourthirds,rho_onethird, two_onethird; ^~~~~~~~~~~~ becke_exchange.c:35:24: warning: unused variable 'z1' [-Wunused-variable] double z5,z4,z3,z2,z1; ^~ becke_exchange.c:35:21: warning: unused variable 'z2' [-Wunused-variable] double z5,z4,z3,z2,z1; ^~ becke_exchange.c:35:18: warning: unused variable 'z3' [-Wunused-variable] double z5,z4,z3,z2,z1; ^~ becke_exchange.c:35:15: warning: unused variable 'z4' [-Wunused-variable] double z5,z4,z3,z2,z1; ^~ becke_exchange.c:35:12: warning: unused variable 'z5' [-Wunused-variable] double z5,z4,z3,z2,z1; ^~ becke_exchange.c:34:21: warning: unused variable 'ddamp' [-Wunused-variable] double lap,damp,ddamp; ^~~~~ becke_exchange.c:34:16: warning: unused variable 'damp' [-Wunused-variable] double lap,damp,ddamp; ^~~~ becke_exchange.c:33:12: warning: unused variable 'norm' [-Wunused-variable] double norm; ^~~~ Compiling lyp_correlation.c... lyp_correlation.c: In function 'R_LYP_Correlation': lyp_correlation.c:37:12: warning: unused variable 'norm' [-Wunused-variable] double norm; ^~~~ lyp_correlation.c:27:12: warning: variable 'smallnumber' set but not used [-Wunused-but-set-variable] double smallnumber; ^~~~~~~~~~~ Compiling hamann.c... Compiling troullier.c... troullier.c: In function 'solve_Troullier': troullier.c:191:15: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] double al,amesh,rmax,Zion; ^~~~~ Compiling xpansion.c... Compiling gaussj.c... gaussj.c: In function 'gaussj': gaussj.c:78:18: warning: 'irow' may be used uninitialized in this function [-Wmaybe-uninitialized] indxr[i] = irow; ~~~~~~~~~^~~~~~ gaussj.c:62:12: warning: 'icol' may be used uninitialized in this function [-Wmaybe-uninitialized] if (irow != icol) ^ hamann.c: In function 'solve_Hamann': hamann.c:209:18: warning: 'w1l_prime' may be used uninitialized in this function [-Wmaybe-uninitialized] double *w1l,*w1l_prime, ^~~~~~~~~ Compiling vanderbilt.c... vanderbilt.c: In function 'solve_Vanderbilt': vanderbilt.c:209:15: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] double al,amesh,Zion; ^~~~~ Compiling xpansion2.c... xpansion2.c: In function 'dp_xpansion2': xpansion2.c:61:30: warning: variable 'r11' set but not used [-Wunused-but-set-variable] double r1,r2,r3,r5,r7,r9,r11; ^~~ xpansion2.c: In function 'ddp_xpansion2': xpansion2.c:89:27: warning: variable 'r10' set but not used [-Wunused-but-set-variable] double r1,r2,r4,r6,r8,r10; ^~~ xpansion2.c: In function 'dddp_xpansion2': xpansion2.c:115:27: warning: variable 'r9' set but not used [-Wunused-but-set-variable] double r1,r2,r3,r5,r7,r9; ^~ xpansion2.c: In function 'ddddp_xpansion2': xpansion2.c:139:24: warning: variable 'r8' set but not used [-Wunused-but-set-variable] double r1,r2,r4,r6,r8; ^~ xpansion.c: In function 'get_c0_c10': xpansion.c:341:28: warning: 'ddelta' may be used uninitialized in this function [-Wmaybe-uninitialized] ddelta = -fdnew*ddelta/(fdnew-fdold); ~~~~~~^~~~~~~ xpansion.c: In function 'get_c0_c12': xpansion.c:434:28: warning: 'ddelta' may be used uninitialized in this function [-Wmaybe-uninitialized] ddelta = -fdnew*ddelta/(fdnew-fdold); ~~~~~~^~~~~~~ Compiling psp1d.c... Compiling generate_rho_semicore.c... Compiling debug.c... Compiling rhamann.c... rhamann.c: In function 'Suggested_Param_RelHamann': rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] int p, npsps, itmp; ^~~~ Compiling rtroullier.c... rtroullier.c: In function 'solve_RelTroullier': rtroullier.c:173:14: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] double al, amesh, rmax, Zion; ^~~~~ rhamann.c: In function 'solve_RelHamann': rhamann.c:193:17: warning: 'w1l_prime' may be used uninitialized in this function [-Wmaybe-uninitialized] double *w1l, *w1l_prime, *w2l, *w2l_prime; ^~~~~~~~~ Compiling rpsp.c... rpsp.c: In function 'init_RelPsp': rpsp.c:76:13: warning: unused variable 'tc' [-Wunused-variable] char *w, *tc; ^~ rpsp.c:73:14: warning: unused variable 'p2' [-Wunused-variable] int p, p1, p2; ^~ rpsp.c:73:10: warning: unused variable 'p1' [-Wunused-variable] int p, p1, p2; ^~ At top level: rpsp.c:53:23: warning: 'clocal' defined but not used [-Wunused-variable] static double rlocal, clocal; ^~~~~~ rpsp.c:53:15: warning: 'rlocal' defined but not used [-Wunused-variable] static double rlocal, clocal; ^~~~~~ Making all in paw_atom gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential/paw_atom' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential/paw_atom' Compiling paw_atom_driver.c... paw_atom_driver.c: In function 'paw_atom_driver_': paw_atom_driver.c:116:11: warning: unused variable 'full_filename' [-Wunused-variable] char *full_filename = (char *) malloc(m9+25+5); ^~~~~~~~~~~~~ paw_atom_driver.c:103:14: warning: unused variable 'argc' [-Wunused-variable] int argc; ^~~~ paw_atom_driver.c:102:14: warning: unused variable 'comment' [-Wunused-variable] char comment[255]; ^~~~~~~ paw_atom_driver.c:100:13: warning: unused variable 'fp' [-Wunused-variable] FILE *fp; ^~ paw_atom_driver.c:99:16: warning: unused variable 'tc' [-Wunused-variable] char *w,*tc; ^~ paw_atom_driver.c:99:13: warning: unused variable 'w' [-Wunused-variable] char *w,*tc; ^ paw_atom_driver.c:96:32: warning: unused variable 'pi' [-Wunused-variable] double rchrg,fchrg,qchrg,pi; ^~ paw_atom_driver.c:96:26: warning: unused variable 'qchrg' [-Wunused-variable] double rchrg,fchrg,qchrg,pi; ^~~~~ paw_atom_driver.c:96:20: warning: unused variable 'fchrg' [-Wunused-variable] double rchrg,fchrg,qchrg,pi; ^~~~~ paw_atom_driver.c:96:14: warning: unused variable 'rchrg' [-Wunused-variable] double rchrg,fchrg,qchrg,pi; ^~~~~ paw_atom_driver.c:95:35: warning: unused variable 'e999' [-Wunused-variable] double r2well,rcore[10],e99,e999; ^~~~ paw_atom_driver.c:95:31: warning: unused variable 'e99' [-Wunused-variable] double r2well,rcore[10],e99,e999; ^~~ paw_atom_driver.c:95:21: warning: unused variable 'rcore' [-Wunused-variable] double r2well,rcore[10],e99,e999; ^~~~~ paw_atom_driver.c:95:14: warning: unused variable 'r2well' [-Wunused-variable] double r2well,rcore[10],e99,e999; ^~~~~~ paw_atom_driver.c:94:29: warning: unused variable 'pspxc' [-Wunused-variable] int pspdat,pspcode,pspxc; ^~~~~ paw_atom_driver.c:94:21: warning: unused variable 'pspcode' [-Wunused-variable] int pspdat,pspcode,pspxc; ^~~~~~~ paw_atom_driver.c:94:14: warning: unused variable 'pspdat' [-Wunused-variable] int pspdat,pspcode,pspxc; ^~~~~~ paw_atom_driver.c:93:14: warning: unused variable 'n' [-Wunused-variable] int n[10]; ^ paw_atom_driver.c:92:17: warning: unused variable 'xx' [-Wunused-variable] double r0,xx; ^~ paw_atom_driver.c:92:14: warning: unused variable 'r0' [-Wunused-variable] double r0,xx; ^~ paw_atom_driver.c:91:24: warning: unused variable 'lmaxp' [-Wunused-variable] int lmax,locp,lmaxp; ^~~~~ paw_atom_driver.c:91:19: warning: unused variable 'locp' [-Wunused-variable] int lmax,locp,lmaxp; ^~~~ paw_atom_driver.c:91:14: warning: unused variable 'lmax' [-Wunused-variable] int lmax,locp,lmaxp; ^~~~ paw_atom_driver.c:89:18: warning: unused variable 'rmax' [-Wunused-variable] double drl,rmax; ^~~~ paw_atom_driver.c:89:14: warning: unused variable 'drl' [-Wunused-variable] double drl,rmax; ^~~ paw_atom_driver.c:88:7: warning: unused variable 'pspl' [-Wunused-variable] **pspl; ^~~~ paw_atom_driver.c:87:7: warning: unused variable 'psil' [-Wunused-variable] **psil, ^~~~ paw_atom_driver.c:86:66: warning: unused variable 'sc_drhol' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~~~ paw_atom_driver.c:86:56: warning: unused variable 'sc_drho' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~~ paw_atom_driver.c:86:46: warning: unused variable 'sc_rhol' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~~ paw_atom_driver.c:86:37: warning: unused variable 'sc_rho' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~~~ paw_atom_driver.c:86:30: warning: unused variable 'tmp2' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~~ paw_atom_driver.c:86:24: warning: unused variable 'tmp' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~~ paw_atom_driver.c:86:19: warning: unused variable 'rl' [-Wunused-variable] double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, ^~ paw_atom_driver.c:85:27: warning: unused variable 'psp' [-Wunused-variable] double *rgrid,*psi,*psp; ^~~ paw_atom_driver.c:85:22: warning: unused variable 'psi' [-Wunused-variable] double *rgrid,*psi,*psp; ^~~ paw_atom_driver.c:85:15: warning: unused variable 'rgrid' [-Wunused-variable] double *rgrid,*psi,*psp; ^~~~~ paw_atom_driver.c:84:20: warning: unused variable 'nrl' [-Wunused-variable] int Ngrid,nrl; ^~~ paw_atom_driver.c:84:14: warning: unused variable 'Ngrid' [-Wunused-variable] int Ngrid,nrl; ^~~~~ paw_atom_driver.c:83:22: warning: unused variable 'p1' [-Wunused-variable] int i,k,l,p,p1; ^~ paw_atom_driver.c:83:20: warning: unused variable 'p' [-Wunused-variable] int i,k,l,p,p1; ^ paw_atom_driver.c:83:18: warning: unused variable 'l' [-Wunused-variable] int i,k,l,p,p1; ^ paw_atom_driver.c:83:16: warning: unused variable 'k' [-Wunused-variable] int i,k,l,p,p1; ^ paw_atom_driver.c:83:14: warning: unused variable 'i' [-Wunused-variable] int i,k,l,p,p1; ^ paw_atom_driver.c:82:15: warning: unused variable 'nl' [-Wunused-variable] int *nl; ^~ paw_atom_driver.c:80:12: warning: unused variable 'over_fourpi' [-Wunused-variable] double over_fourpi; ^~~~~~~~~~~ paw_atom_driver.c:79:20: warning: unused variable 'zion' [-Wunused-variable] double zatom,zion; /* local psp parameters */ ^~~~ paw_atom_driver.c:79:14: warning: unused variable 'zatom' [-Wunused-variable] double zatom,zion; /* local psp parameters */ ^~~~~ paw_atom_driver.c:76:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] double rlocal_out; ^~~~~~~~~~ paw_atom_driver.c:75:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] int lmax_out,locp_out; ^~~~~~~~ paw_atom_driver.c:75:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] int lmax_out,locp_out; ^~~~~~~~ Compiling paw_atom.c... paw_atom.c: In function 'paw_init_paw_atom': paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] double *rgrid; ^~~~~ Compiling paw_basis.c... paw_basis.c: In function 'paw_init_paw_basis': paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] double *rgrid; ^~~~~ paw_basis.c: In function 'paw_generate_projectors_vanderbilt': paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] double max_phi; ^~~~~~~ paw_basis.c: In function 'paw_generate_projectors_blochl': paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] double **test_matrix; ^~~~~~~~~~~ paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] double max_phi; ^~~~~~~ paw_basis.c: In function 'paw_scattering_test': paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] int Ngrid; ^~~~~ Compiling paw_scattering.c... paw_scattering.c: In function 'paw_solve_paw_scattering': paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] int Ngrid; ^~~~~ Compiling paw_schrodin.c... Compiling paw_pauli.c... paw_pauli.c: In function 'paw_R_Pauli_Fixed_E': paw_pauli.c:342:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] node, ^~~~ paw_basis.c: In function 'paw_print_basis_to_file': paw_basis.c:1217:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] sprintf(title,"%s (%f)",nl_name,e_ps[i]); ^~ paw_basis.c:1217:27: note: assuming directive output of 8 bytes sprintf(title,"%s (%f)",nl_name,e_ps[i]); ^~~~~~~~~ paw_basis.c:1217:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 sprintf(title,"%s (%f)",nl_name,e_ps[i]); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_basis.c: In function 'paw_print_basis_test_to_file': paw_basis.c:1299:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] sprintf(title,"%s (%f)",nl_name,e_ps[i]); ^~ paw_basis.c:1299:27: note: assuming directive output of 8 bytes sprintf(title,"%s (%f)",nl_name,e_ps[i]); ^~~~~~~~~ paw_basis.c:1299:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 sprintf(title,"%s (%f)",nl_name,e_ps[i]); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_orbitals.c... paw_orbitals.c: In function 'paw_solve_scattering_orbitals': paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] double *rgrid; ^~~~~ Compiling paw_kinetic_energy.c... paw_orbitals.c: In function 'paw_print_orbitals_to_file': paw_orbitals.c:683:26: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~ paw_orbitals.c:683:23: note: assuming directive output of 8 bytes sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~~~~~~~~ paw_orbitals.c:683:9: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:691:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~ paw_orbitals.c:691:27: note: assuming directive output of 8 bytes sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~~~~~~~~ paw_orbitals.c:691:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ paw_orbitals.c:729:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~ paw_orbitals.c:729:27: note: assuming directive output of 8 bytes sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~~~~~~~~ paw_orbitals.c:729:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Compiling paw_potential.c... Compiling paw_dirac_exchange.c... Compiling paw_vosko.c... Compiling paw_hartree.c... Compiling paw_core.c... Compiling paw_comp_charge.c... Compiling paw_ion.c... Compiling paw_matrix_elements.c... Compiling paw_pred_cor.c... Compiling paw_loggrid.c... Compiling paw_bisect.c... Compiling paw_error_function.c... Compiling paw_get_inverse.c... paw_get_inverse.c: In function 'paw_get_inverse': paw_get_inverse.c:113:25: warning: 'irow' may be used uninitialized in this function [-Wmaybe-uninitialized] temp = a[irow][j]; ^ Compiling paw_my_constants.c... Compiling paw_utilities.c... Compiling paw_output.c... paw_output.c: In function 'paw_generate_basis_file': paw_output.c:39:14: warning: variable 'psi_ps0' set but not used [-Wunused-but-set-variable] double** psi_ps0; ^~~~~~~ paw_output.c:26:12: warning: variable 'tmp' set but not used [-Wunused-but-set-variable] double tmp; ^~~ Compiling paw_sdir.c... Compiling paw_my_memory.c... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential/paw_atom' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential/paw_atom' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential/paw_atom' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential/paw_atom' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/pseudopotential' Making all in utilities gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities' Making all in paw_utilities gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_filefind.F... Compiling nwpw_scratch.F... Compiling nwpw_list.F... gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_scf_mixing.F... Compiling nwpw_spline.F... Compiling nwpw_interp.F... Compiling kerker_G.F... Compiling nwpw_gaunt.F... Compiling cpmd_properties.F... Compiling nwpw_compcharge.F... Compiling nwpw_rdf.F... Compiling pair_dist.F... Compiling nwpw_xc.F... Compiling pair_dist2.F... Compiling nwpw_vosko.F... nwpw_gaunt.F:1298:0: real*8 r,cos_theta,phi,coeff Warning: 'coeff' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_gaunt.F:1299:0: complex*16 ctmp Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_gaunt.F:1299:0: Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling pair_distab.F... Compiling nwpw_gga.F... Compiling auto_corr.F... Compiling nwpw_SpecialKummer.F... Compiling generate_unfolded_xyz.F... Compiling nwpw_GaussBessel.F... Compiling matrix.f... Compiling nwpw_WGaussian.F... Compiling simp.F... Compiling nwpw_gauss_weights.F... Compiling is_sORd.F... Compiling psi_filefind.F... nwpw_compcharge.F:1136:0: integer Gx,Gy,Gz Warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:0: Warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:0: Warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling v_psi_filefind.F... Compiling getfilling.F... Compiling CIF_write.F... Compiling densityofstates.F... Compiling MOTION_nframes.F... Compiling spdf_name.F... Compiling cell.F... Compiling cellgeometry.F... Compiling cpsi_data.F... Compiling psi_data.F... Compiling butter.F... Compiling print_elapsed_time.F... Compiling log_integrate.F... Compiling nwpw_parse.F... nwpw_compcharge.F:4191:0: integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz Warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4191:0: Warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4191:0: Warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling nwpw_matrix_invert.F... Compiling analysis_expansion_coef.F... nwpw_compcharge.F:4462:0: integer indx,indx1,indx2,Gx,Gy,Gz Warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4462:0: Warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:4462:0: Warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling nwpw_double_factorial.F... Compiling nwpw_kbpp_ray.F... Compiling nwpw_talker.c... nwpw_compcharge.F:5153:0: integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz Warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:5153:0: Warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpw_compcharge.F:5153:0: Warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling nwpw_expression.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_emachine.c... nwpw_emachine.c: In function 'nwpw_gencode': nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] char lexpr[500],rexpr[500],tmps[10],tmpss[10]; ^~~~~ nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] char lexpr[500],rexpr[500],tmps[10],tmpss[10]; ^~~~ nwpw_emachine.c: In function 'nwpw_emachine': nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] Integer op,arg1,arg2,arg3,arg4,ln1,ln2; ^~~~ nwpw_emachine.c: In function 'nwpw_fmachine': nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] Integer op,arg1,arg2,arg3,arg4,ln1,ln2; ^~~~ nwpw_emachine.c: In function 'nwpw_emachine_parse_': nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] int i; ^ gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling BA_memory.F... Compiling btdb.F... Compiling beom.F... Compiling task_paulsmatrix.F... Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a nwpw_gaunt.o nwpw_compcharge.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities/paw_utilities' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_cosmo.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/utilities' Making all in unitcell gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/unitcell' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/unitcell' Compiling simulation_cell_input.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/unitcell' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/unitcell' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a simulation_cell_input.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/unitcell' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/unitcell' Making all in brillouin_zone gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/brillouin_zone' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/brillouin_zone' Compiling brillouin_zone_input.F... Compiling brillioun.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/brillouin_zone' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/brillouin_zone' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a brillouin_zone_input.o brillioun.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/brillouin_zone' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/brillouin_zone' Making all in fractional gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/fractional' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/fractional' Compiling fractional.F... Compiling frac_occ_input.F... Compiling frac_occ.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/fractional' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/fractional' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/fractional' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/fractional' Making all in linesearch gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/linesearch' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/linesearch' Compiling linesearch.F... Compiling Order_Values.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/linesearch' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/linesearch' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a linesearch.o Order_Values.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/linesearch' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/linesearch' Making all in timing gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/timing' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/timing' Compiling nwpw_timing.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/timing' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/timing' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a nwpw_timing.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/timing' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/timing' Making all in ewald gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ewald' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ewald' Compiling ewald.F... Compiling ewald_strfac.F... ewald.F:1227:0: dbl_mb(tmp1(1)+i-1)=dbl_mb(F(1)+i-1)*dbl_mb(H(1)+i-1) Warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ewald.F:1794:0: dbl_mb(tmp1(1)+i-1)=dbl_mb(F(1)+i-1)*dbl_mb(H(1)+i-1) Warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ewald.F:2358:0: dbl_mb(tmp1(1)+i-1)=dbl_mb(F(1)+i-1)*dbl_mb(H(1)+i-1) Warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ewald' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ewald' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a ewald.o ewald_strfac.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ewald' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/ewald' Making all in thermostats gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/thermostats' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/thermostats' Compiling nose-hoover.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/thermostats' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/thermostats' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a nose-hoover.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/thermostats' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/thermostats' Making all in MetaDynamics gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/MetaDynamics' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/MetaDynamics' Compiling metadynamics_input.F... Compiling metadynamics_aux.F... metadynamics_aux.F:227:14: C1 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:229:14: C2 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:243:20: C2 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:255:17: C2 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:306:14: C1 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:308:14: C2 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:336:20: C2 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] metadynamics_aux.F:368:17: C2 = metadynamics_coordnumber(sprik,n,m,r0, 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling metadynamics.F... metadynamics.F:2222:0: real*8 wr,ar,br,wp,ap,bp,fr,fp,frp,gr,gp Warning: 'wr' may be used uninitialized in this function [-Wmaybe-uninitialized] metadynamics.F:2222:0: Warning: 'wp' may be used uninitialized in this function [-Wmaybe-uninitialized] metadynamics.F:2222:0: Warning: 'br' may be used uninitialized in this function [-Wmaybe-uninitialized] metadynamics.F:2222:0: Warning: 'ar' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/MetaDynamics' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/MetaDynamics' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/MetaDynamics' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/MetaDynamics' Making all in TAMD gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TAMD' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TAMD' Compiling tamd_input.F... Compiling tamd.F... tamd.F:2456:0: real*8 wr,ar,br,wp,ap,bp,fr,fp,frp,gr,gp Warning: 'wr' may be used uninitialized in this function [-Wmaybe-uninitialized] tamd.F:2456:0: Warning: 'wp' may be used uninitialized in this function [-Wmaybe-uninitialized] tamd.F:2456:0: Warning: 'br' may be used uninitialized in this function [-Wmaybe-uninitialized] tamd.F:2456:0: Warning: 'ar' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TAMD' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TAMD' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a tamd_input.o tamd.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TAMD' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/TAMD' Making all in FMM gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/FMM' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/FMM' Compiling fmm.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/FMM' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/FMM' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a fmm.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/FMM' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/FMM' Making all in md_xs gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs' Making all in FEFF6L gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs/FEFF6L' Compiling md_xs_input.F... Compiling feff6Lib.f... Compiling md_xs.F... md_xs.F:277:0: else if (mc_algorithm.eq.2) then Warning: 'mc_algorithm' may be used uninitialized in this function [-Wmaybe-uninitialized] md_xs.F:39:0: integer seed,mc_napply,mc_ngroups,mc_group_size,mc_algorithm note: 'mc_algorithm' was declared here gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs/FEFF6L' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a feff6Lib.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs/FEFF6L' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs/FEFF6L' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a md_xs_input.o md_xs.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/md_xs' Making all in nwpwxc gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_block.F... Compiling nwpwxc_add.F... Compiling nwpwxc_query.F... Compiling nwpwxc_nwchem.F... Compiling nwpwxc_vdw3d.F... gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_eval.F... Compiling nwpwxc_x_att.F... Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... Compiling nwpwxc_x_camb88.F... Compiling nwpwxc_x_camlsd.F... Compiling nwpwxc_x_campbe.F... Compiling nwpwxc_x_cams12.F... Compiling nwpwxc_x_dirac.F... Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... Compiling nwpwxc_x_ft97.F... nwpwxc_x_ft97.F:116:0: Amat(n,D1_RB) = Amat(n,D1_RB)+dfdrbx*wght Warning: 'dfdrbx' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_x_ft97.F:82:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx note: 'dfdrbx' was declared here nwpwxc_x_ft97.F:115:0: Amat(n,D1_RA) = Amat(n,D1_RA)+dfdrax*wght Warning: 'dfdrax' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_x_ft97.F:82:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx note: 'dfdrax' was declared here nwpwxc_x_ft97.F:118:0: dfdzb=dfdgbbx*wght Warning: 'dfdgbbx' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_x_ft97.F:82:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx note: 'dfdgbbx' was declared here nwpwxc_x_ft97.F:117:0: dfdza=dfdgaax*wght Warning: 'dfdgaax' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_x_ft97.F:82:0: double precision fx_ft97,dfdrax,dfdgaax,dfdrbx,dfdgbbx note: 'dfdgaax' was declared here Compiling nwpwxc_x_m05.F... Compiling nwpwxc_x_m06.F... Compiling nwpwxc_x_m11.F... Compiling nwpwxc_x_opt.F... Compiling nwpwxc_x_pbe.F... Compiling nwpwxc_x_rpbe.F... Compiling nwpwxc_x_pkzb99.F... Compiling nwpwxc_x_s12.F... Compiling nwpwxc_x_sogga.F... Compiling nwpwxc_x_tpss03.F... Compiling nwpwxc_x_wpbe.F... Compiling nwpwxc_x_vs98.F... Compiling nwpwxc_c_b95.F... Compiling nwpwxc_c_ft97.F... Compiling nwpwxc_c_lyp.F... Compiling nwpwxc_c_m05.F... Compiling nwpwxc_c_m06.F... Compiling nwpwxc_c_m11.F... Compiling nwpwxc_c_opt.F... Compiling nwpwxc_c_p91.F... Compiling nwpwxc_c_p91_vwn5.F... Compiling nwpwxc_c_pw91lda.F... Compiling nwpwxc_c_sogga.F... Compiling nwpwxc_c_pbe.F... Compiling nwpwxc_c_Mpbe.F... Compiling nwpwxc_c_pkzb99.F... Compiling nwpwxc_c_tpss03.F... Compiling nwpwxc_c_vs98.F... nwpwxc_c_tpss03.F:510:0: delca = -(1.d0 + ccc)*fabup*delc Warning: 'ccc' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_c_tpss03.F:104:0: double precision zeta, ccc note: 'ccc' was declared here Compiling nwpwxc_c_lsda.F... Compiling nwpwxc_c_vwn1.F... Compiling nwpwxc_c_vwn1_rpa.F... Compiling nwpwxc_c_vwn2.F... Compiling nwpwxc_c_vwn3.F... Compiling nwpwxc_c_vwn4.F... Compiling nwpwxc_c_vwn5.F... Compiling nwpwxc_c_op.F... Compiling nwpwxc_cs00.F... Compiling nwpwxc_vdw3a.F... nwpwxc_vdw3a.F:930:38: write(*,'("L"2i1,2E14.6)'),i,j,dum,g_lat(j,i) 1 Warning: Legacy Extension: Comma before i/o item list at (1) Compiling nwpwxc_vdw3b.F... Compiling nwpwxc_vdw3c.F... nwpwxc_vdw3c.F:3035:31: subroutine nwpwxc_split(str,delims,before,sep) 1 Warning: Interface mismatch in global procedure 'nwpwxc_split' at (1): INTENT mismatch in argument 'sep' [-Wargument-mismatch] Compiling nwpwxcP_xc_b97.c... nwpwxcP_xc_b97.c: In function 'nwpwxcp_c_b97_': nwpwxcP_xc_b97.c:551:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] double Gec_a0=0.0,Gec_b0=0.0; ^~~~~~ nwpwxcP_xc_b97.c:551:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] double Gec_a0=0.0,Gec_b0=0.0; ^~~~~~ nwpwxcP_xc_b97.c:741:61: warning: 'Gec_a0_ra' may be used uninitialized in this function [-Wmaybe-uninitialized] FC[ _FXC_RAGAA ] = ScalGGAC*(0.0 + Gec_a0_ra*Ggc_aa_gaa + 0.0 + ec_a0*Ggc_aa_ragaa + 0.0 + Gec_ab_ra*Ggc_ab_gaa + 0.0 + ec_ab*Ggc_ab_ragaa); ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ nwpwxcP_xc_b97.c:743:61: warning: 'Gec_b0_rb' may be used uninitialized in this function [-Wmaybe-uninitialized] FC[ _FXC_RBGBB ] = ScalGGAC*(0.0 + Gec_b0_rb*Ggc_bb_gbb + 0.0 + ec_b0*Ggc_bb_rbgbb + 0.0 + Gec_ab_rb*Ggc_ab_gbb + 0.0 + ec_ab*Ggc_ab_rbgbb); ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ Compiling nwpwxc_x_b97.F... nwpwxc_vdw3a.F:2031:0: write(*,*)'' Warning: array subscript 1 is above array bounds of 'character(kind=1)[1:0]' [-Warray-bounds] nwpwxc_vdw3a.F:1947:0: edisp=-(e6+e8) Warning: 'e6' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling nwpwxc_c_b97.F... nwpwxc_vdw3b.F:1109:0: integer i,j,nn,nl Warning: 'nl' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling nwpwxc_xc_kt1.F... nwpwxc_vdw3a.F:383:0: if(minc6.and.j.lt.1)then Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:386:0: if(maxc6.and.k.lt.1)then Warning: 'k' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling nwpwxc_c_spbe.F... Compiling nwpwxc_x_ssbD_1.F... Compiling nwpwxc_c_perdew81.F... Compiling nwpwxc_c_perdew86.F... Compiling nwpwxc_x_pw91.F... Compiling nwpwxc_x_pw6.F... Compiling nwpwxc_x_b86b.F... Compiling nwpwxc_x_scan.F... Compiling nwpwxc_c_scan.F... nwpwxc_vdw3c.F:1082:0: real*8, allocatable,dimension(:,:,:,:) :: drij !d(E)/d(r_ij) derivative wrt. dist. iat-jat Warning: 'drij.dim[3].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:0: Warning: 'drij.dim[2].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:0: Warning: 'drij.dim[1].stride' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:0: Warning: 'drij.offset' may be used uninitialized in this function [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2723:0: edisp=-(e6+e8) Warning: 'e6' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/nwpwxc' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/nwpwxc' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3a.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/nwpwxc' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib/nwpwxc' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/nwpwlib' Making all in libraryps gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/libraryps' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/libraryps' Compiling nwpw_library.F... nwpw_library.F:156:0: k_lgth=sqptr_r-sqptr_l-1 Warning: 'sqptr_r' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling nwpw_libfile.F... Compiling nwpw_set_library.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/libraryps' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/libraryps' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpwlib.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/libraryps' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/libraryps' Making all in pspw gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw' Compiling task_pspw.F... Making all in lib gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib' Making all in psi gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psi' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psi' Compiling dipole.F... Compiling orthocheck.f... Compiling psi.F... Compiling psi_spin2.F... Compiling geodesic.F... Compiling geodesic2.F... Compiling Grassman.F... Compiling psi_dmatrix.F... Compiling psi_read.F... Compiling psi_write.F... Compiling rho_write.F... Compiling rho_read.F... Compiling v_psi_read.F... Compiling v_psi_write.F... Compiling psi_new.F... Compiling v_psi_new.F... Compiling psi_history.F... Compiling psi_write_filename.F... Compiling psi_read_filename.F... Compiling berry_phase_pol.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psi' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psi' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a dipole.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o berry_phase_pol.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psi' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psi' Making all in electron gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/electron' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/electron' Compiling psi_H.F... Compiling psi_Hv4.F... Compiling electron.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/electron' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/electron' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a psi_H.o psi_Hv4.o electron.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/electron' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/electron' Making all in ke gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ke' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ke' Compiling ke.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ke' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ke' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a ke.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ke' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ke' Making all in coulomb gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/coulomb' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/coulomb' Compiling coulomb.F... Compiling coulomb2.F... Compiling coulomb_screened.F... Compiling coulomb_screened_small.F... coulomb_screened.F:647:72: call sub_coulomb_screened_init_print(dcpl_mb(tmp1(1)),rcut,pp) 1 Warning: Type mismatch in argument 'vc' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/coulomb' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/coulomb' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/coulomb' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/coulomb' Making all in exchange-correlation gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation' Making all in vdw-DF gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling v_bwexc_all.F... Compiling v_exc.F... gmake[8]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling v_dirac.F... Compiling v_mexc.F... Compiling v_bwexc.F... Compiling vdw-DF.F... vdw-DF.F:358:72: > dbl_mb(theta(1)),dbl_mb(ufunc(1))) 1 Warning: Type mismatch in argument 'theta' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling v_bwexc_euv.F... Compiling vdw_DF_kernel.F... Compiling nwpw_meta_gga.F... Compiling vdw_DF_get_qmesh_filename.F... Compiling pbe96.f... Compiling pbesol.f... gmake[8]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling revpbe.f... gmake[8]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling blyp.f... Compiling b3lyp.F... Compiling bnl2007_x.F... Compiling hsepbe.F... Compiling beef_gga.f... Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[8]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/exchange-correlation' Making all in sic gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/sic' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/sic' Compiling pspw_sic.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/sic' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/sic' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a pspw_sic.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/sic' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/sic' Making all in hfx gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/hfx' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/hfx' Compiling pspw_hfx.F... Compiling pspw_hfx_localized.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/hfx' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/hfx' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a pspw_hfx.o pspw_hfx_localized.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/hfx' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/hfx' Making all in ion gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ion' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ion' Compiling ion_ion.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ion' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ion' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a ion_ion.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ion' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/ion' Making all in psp gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psp' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psp' Compiling MOTION.F... Compiling psp.F... Compiling psp_olddebug.F... Compiling psp_cmp_dE_Qlm.F... psp_olddebug.F:35:0: integer G(3),npack1,nion,nu Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_olddebug.F:35:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_olddebug.F:35:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling paw.F... psp.F:4471:72: > ierr) 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling psp_stress.F... psp_stress.F:705:72: > ierr) 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling semicore.F... paw.F:2970:72: > dbl_mb(rho_cmp(1))) 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] paw.F:3174:72: > dbl_mb(rho_cmp(1))) 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] paw.F:3193:72: > fion) 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] paw.F:4476:72: > dbl_mb(rho_cmp(1))) 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] paw.F:4495:72: > fion) 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling semicore_force.F... Compiling psp_U.F... psp_U.F:823:0: density_total = density(1)+density(ispin) Warning: 'density[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:823:0: Warning: 'density[_573]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling psp_ld.F... psp_U.F:200:0: integer G(3),npack1,nion,nu Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:200:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:200:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] paw.F:1120:0: integer exi(2),vtmp(2),xtmp(2),G(3) Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] paw.F:1120:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] paw.F:1120:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:1918:0: integer exi(2),vtmp(2),xtmp(2),G(3) Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:1918:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:1918:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:2898:0: integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:2898:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:2898:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] paw.F:3420:0: real*8 wij,taunt Warning: 'taunt' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psp' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psp' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psp' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/psp' Making all in Grsm_list gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/Grsm_list' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/Grsm_list' Compiling pspw_Grsm_list.F... Compiling pspw_lmbfgs.F... Compiling pspw_lmbfgs2.F... Compiling pspw_lmbfgs3.F... Compiling pspw_diis.F... Compiling pspw_rmmdiis.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/Grsm_list' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/Grsm_list' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/Grsm_list' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/Grsm_list' Making all in aorbs gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/aorbs' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/aorbs' Compiling aorbs.F... aorbs.F:687:72: > ierr) 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/aorbs' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/aorbs' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a aorbs.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/aorbs' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/aorbs' Making all in truncating_function gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/truncating_function' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/truncating_function' Compiling truncating_function.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/truncating_function' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/truncating_function' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a truncating_function.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/truncating_function' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib/truncating_function' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lib' Making all in kbpp gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/kbpp' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/kbpp' Compiling psp_formatter_input.F... Compiling psp_formatter.F... Compiling psp_stress_formatter.F... Compiling pawppv1.F... Compiling hghppv1.F... Compiling HGH_local.F... Compiling HGH_nonlocal.F... Compiling Tesseral.F... Compiling kbppv3.F... Compiling kbppv3-stress.F... Compiling setup_kbpp.f... Compiling kbpp_ray.F... Compiling integrate_kbppv3.f... Compiling integrate_kbppv3_new.f... Compiling integrate_kbppv3_ray.f... Compiling integrate_stress.F... Compiling integrate_stress_new.F... Compiling integrate_stress_ray.F... Compiling aorbs_formatter.F... Compiling kbpp_orb.F... Compiling integrate_kbpp_orb.F... Compiling integrate_pawppv1.F... Compiling integrate_paw_ray.F... Compiling kbppv3d.F... Compiling kbppv3d_stress.F... Compiling integrate_kbppv3d.f... Compiling integrate_d_stress.F... Compiling integrate_kbppv3d_new.f... Compiling integrate_d_stress_new.F... Compiling kbppv3e.F... Compiling kbppv3e_stress.F... Compiling integrate_kbppv3e.f... Compiling integrate_kbppv3e_new.f... Compiling integrate_kbppv3e_ray.f... Compiling integrate_e_stress.F... Compiling integrate_e_stress_new.F... Compiling integrate_e_stress_ray.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/kbpp' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/kbpp' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/kbpp' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/kbpp' Making all in makepsi gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/makepsi' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/makepsi' Compiling wvfnc_init_input.F... Compiling wvfnc_init.F... Compiling wvfnc_new.F... wvfnc_init.F:36:0: double complex cc,cx,sx,zx Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_init.F:36:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_new.F:114:0: double complex cc,cx,sx,zx,zc,rx,ry Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_new.F:114:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling wvfnc_expander_input.F... Compiling wvfnc_expander.F... Compiling wvfnc_reformat.F... Compiling wvfnc_ionize.F... Compiling wvfnc_adjust.F... wvfnc_adjust.F:135:0: double complex cc,cx,sx,zx,zc,rx,ry Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_adjust.F:135:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling wvfnc_convert_restricted.F... Compiling v_wvfnc_init_input.F... Compiling v_wvfnc_init.F... Compiling v_wvfnc_new.F... Compiling pspw_wannier_input.F... Compiling pspw_wannier.F... Compiling silvestrelli_overlap.F... Compiling silvestrelli_minimize.F... Compiling pspw_wannier_old.F... Compiling silvestrelli_overlap_old.F... Compiling silvestrelli_minimize_old.F... Compiling pspw_wannier2.F... Compiling pspw_translate.F... Compiling expand_cell.F... Compiling wvfnc_expand_cell.F... Compiling band_reformat_c_wvfnc.F... Compiling makenodefunctions.F... makenodefunctions.F:113:72: call psi_derivative_f(itype,gx,gy,gz,psir) 1 Warning: Type mismatch in argument 'f' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/makepsi' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/makepsi' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/makepsi' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/makepsi' Making all in cpsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cpsd' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cpsd' Compiling cpsd_input.F... Compiling cpmd_input.F... Compiling cpsdv5.F... Compiling cpmdv5.F... Compiling mmsdv1.F... Compiling inner_loop_md.F... Compiling mm_loop.F... Compiling psi_lmbda.f... Compiling psi_lmbda_sic.f... Compiling psi_lmbda_paw.f... Compiling psi_lmbda2.f... Compiling psi_lmbda3.f... Compiling psi_lmbda_omp.F... Compiling fei_output.F... Compiling dipole_motion.F... Compiling pspw_et.F... Compiling inner_loop.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cpsd' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cpsd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o psi_lmbda_omp.o inner_loop.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cpsd' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cpsd' Making all in cgsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cgsd' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cgsd' Compiling cgsd_input.F... Compiling pspw_noit_energy.F... Compiling pspw_energy.F... Compiling pspw_gradient.F... Compiling pspw_bq_gradient.F... Compiling pspw_stress.F... Compiling cgsdv5.F... cgsdv5.F:672:0: > 3*nion,dbl_mb(fion(1))) Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] cgsdv5.F:63:0: integer i,k,ia,nion,minimizer,mapping,mapping1d note: 'nion' was declared here cgsdv5.F:611:0: if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ Warning: 'evq' may be used uninitialized in this function [-Wmaybe-uninitialized] cgsdv5.F:61:0: real*8 EV,EVQ,pi,rs note: 'evq' was declared here Compiling cgmontecarlov1.F... Compiling cgoptimize1.F... Compiling cgmdv5.F... cgmontecarlov1.F:81:0: integer vcount,geom1,frac1(2),nion1 Warning: 'frac1[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling mmmdv1.F... cgoptimize1.F:429:0: if (opt_algorithm.eq.0) then Warning: 'opt_algorithm' may be used uninitialized in this function [-Wmaybe-uninitialized] cgoptimize1.F:75:0: integer opt_algorithm note: 'opt_algorithm' was declared here Compiling cgsd_noit_energy.F... Compiling cgsd_energy.F... Compiling cgsd_excited.F... Compiling cgsd_oep_eigenvalues.F... Compiling cgminimize.F... Compiling cgminimize2.F... Compiling bfgsminimize.F... Compiling bfgsminimize2.F... Compiling bfgsminimize3.F... Compiling bybminimize.F... bybminimize.F:220:0: deltae = Enew-Eold Warning: 'enew' may be used uninitialized in this function [-Wmaybe-uninitialized] bybminimize.F:45:0: real*8 Enew,Eold,alpha note: 'enew' was declared here Compiling bybminimize2.F... Compiling sdminimize.F... Compiling nominimize.F... Compiling md_energy.F... Compiling kp_structure.F... kp_structure.F:120:0: dist = (kv(1)-kold(1))**2 Warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] kp_structure.F:28:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV note: 'kold[0]' was declared here kp_structure.F:121:0: dist = dist + (kv(2)-kold(2))**2 Warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] kp_structure.F:28:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV note: 'kold[1]' was declared here kp_structure.F:122:0: dist = dist + (kv(3)-kold(3))**2 Warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] kp_structure.F:28:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV note: 'kold[2]' was declared here gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cgsd' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cgsd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cgsd' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cgsd' Making all in analysis gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis' Making all in APC gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis/APC' Compiling analysis_input.F... Compiling analysis.F... Compiling orb_pop.F... gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis/APC' Compiling orb_pop_kawai.F... Compiling orb_pop_aorb.F... Compiling orb.F... Compiling pspw_APC.F... Compiling pspw_Efield.F... Compiling util_diag_jacobi.F... Compiling pspw_Lubin_water_analysis.F... Compiling util_sorteps.F... Compiling pspw_atom_analysis.F... Compiling pspw_Efield_grad.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis/APC' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis/APC' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a pspw_APC.o pspw_Efield.o util_diag_jacobi.o util_sorteps.o pspw_Efield_grad.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis/APC' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis/APC' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/analysis' Making all in cell_optimize gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cell_optimize' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cell_optimize' Compiling cell_optimize_input.F... Compiling cell_optimize.F... Compiling update_unitcell.F... Compiling pspw_stress_numerical.F... Compiling pspw_force_numerical.F... Compiling force_fd.F... Compiling stress_fd.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cell_optimize' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cell_optimize' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cell_optimize' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/cell_optimize' Making all in qmmm gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm' Making all in pspw_LJ gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_LJ' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_LJ' Compiling pspw_LJ.F... Compiling pspw_qmmm_input.F... Compiling pspw_qmmm.F... Compiling pspw_2qmmm.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_LJ' Compiling pspw_springs.F... gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_LJ' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a pspw_LJ.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_LJ' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_LJ' Making all in pspw_Q gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Q' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Q' Compiling pspw_Q.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm' gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Q' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Q' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a pspw_Q.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Q' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Q' Making all in pspw_Pair gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Pair' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Pair' Compiling pspw_Pair.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Pair' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Pair' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a pspw_Pair.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Pair' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/pspw_Pair' Making all in mmq gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/mmq' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/mmq' Compiling mmq.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/mmq' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/mmq' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a mmq.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/mmq' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm/mmq' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/qmmm' Making all in charge gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/charge' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/charge' Compiling pspw_charge.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/charge' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/charge' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a pspw_charge.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/charge' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/charge' Making all in dplot gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/dplot' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/dplot' Compiling pspw_dplot_input.F... Compiling pspw_dplot.F... Compiling pspw_dplot_iteration.F... pspw_dplot.F:261:72: > fractional,dbl_mb(occ2(1))) 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] pspw_dplot.F:698:72: call pspw_add_core_dng(1.0d0,dbl_mb(rho(1))) 1 Warning: Type mismatch in argument 'dng' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] pspw_dplot.F:273:72: > .false.,tag) 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] Compiling ELF.F... Compiling Ursenbach_smoother.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/dplot' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/dplot' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/dplot' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/dplot' Making all in lcao gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lcao' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lcao' Compiling lcao_wvfnc.F... Compiling lcao_write_matrix.F... Compiling lcao_generate_smatrix.F... Compiling lcao_generate_kematrix.F... Compiling lcao_generate_vlmatrix.F... Compiling lcao_generate_vnlmatrix.F... Compiling lcao_generate_vhxcmatrix.F... Compiling lcao_init_dn.F... Compiling lcao_new_dn.F... Compiling lcao_make_psi.F... Compiling lcao_write_psi.F... Compiling lcaov1.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lcao' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lcao' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a lcao_wvfnc.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lcao' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw/lcao' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a task_pspw.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/pspw' Making all in paw gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw' Compiling task_paw.F... Making all in paw_geometry gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_geometry' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_geometry' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_geometry' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_geometry' Making all in paw_ma gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ma' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ma' Compiling paw_ma.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ma' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ma' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_ma.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ma' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ma' Making all in paw_utils gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_utils' Compiling integrate.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_utils' Compiling paw_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling io_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling chkerr.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling double_factorial.f... double_factorial.f:15:0: end Warning: '__result_double_factorial' may be used uninitialized in this function [-Wmaybe-uninitialized] double_factorial.f:1:0: double precision function double_factorial(n) note: '__result_double_factorial' was declared here Compiling bessel_transform.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_gauss_weights.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_spher_grid.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_utils' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_utils' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_utils' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_utils' Making all in paw_basis gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_basis' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_basis' Compiling paw_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_small_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_basis_data.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_basis' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_basis' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_basis' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_basis' Making all in paw_proj gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_proj' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_proj' Compiling paw_proj.F... paw_proj.F:918:0: complex*16 coef Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_proj.F:918:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_proj.F:918:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_proj.F:918:0: Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_proj' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_proj' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_proj.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_proj' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_proj' Making all in paw_matrix gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_matrix' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_matrix' Compiling paw_comp_charge_matrix.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_matrix' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_matrix' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_comp_charge_matrix.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_matrix' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_matrix' Making all in paw_ovlp gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ovlp' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ovlp' Compiling paw_ovlp.F... Compiling paw_overlap_matrix.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ovlp' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ovlp' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_ovlp.o paw_overlap_matrix.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ovlp' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ovlp' Making all in paw_comp_charge gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_charge' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_charge' Compiling paw_comp_charge.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_charge' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_charge' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_comp_charge.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_charge' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_charge' Making all in paw_special_functions gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_special_functions' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_special_functions' Compiling paw_spher_func.F... Compiling paw_double_factorial.F... Compiling paw_gamma_function.F... paw_gamma_function.F:135:72: PAUSE 'a too large, ITMAX too small in gcf' 1 Warning: Deleted feature: PAUSE statement at (1) Compiling paw_hypergeom1F1.F... paw_hypergeom1F1.F:12:0: DOUBLE PRECISION FUNCTION PAW_HYPERGEOM1F1 (N, L, Z) Warning: '__result_paw_hypergeom1f1' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_special_functions' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_special_functions' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_special_functions' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_special_functions' Making all in paw_gaunt gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_gaunt' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_gaunt' Compiling paw_gaunt.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_gaunt' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_gaunt' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_gaunt.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_gaunt' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_gaunt' Making all in paw_kinetic gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_kinetic' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_kinetic' Compiling paw_energy_kin_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_kin.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_kinetic' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_kinetic' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_kinetic' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_kinetic' Making all in paw_vloc gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_vloc' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_vloc' Compiling paw_energy_vloc_atom.F... Compiling paw_matrix_vloc.F... Compiling paw_vloc.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_vloc' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_vloc' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_vloc' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_vloc' Making all in paw_ion_potential gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ion_potential' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ion_potential' Compiling paw_energy_ion_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_ion.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ion_potential' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ion_potential' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ion_potential' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_ion_potential' Making all in paw_core gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_core' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_core' Compiling paw_energy_core_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_core.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_core' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_core' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_energy_core_atom.o paw_matrix_core.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_core' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_core' Making all in paw_hartree gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_hartree' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_hartree' Compiling paw_matrix_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_pot_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_energy_hartree_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_hartree' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_hartree' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_hartree' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_hartree' Making all in paw_comp_pot gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_pot' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_pot' Compiling paw_matrix_comp_pot.F... Compiling paw_pot_comp.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_pot' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_pot' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_pot' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_comp_pot' Making all in paw_mult gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_mult' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_mult' Compiling paw_mult.F... Compiling paw_mult_interaction.F... Compiling paw_mult_energy.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_mult' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_mult' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_mult' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_mult' Making all in paw_nonlocal gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_nonlocal' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_nonlocal' Compiling paw_nonlocal.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_nonlocal' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_nonlocal' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_nonlocal.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_nonlocal' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_nonlocal' Making all in paw_density gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_density' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_density' Compiling paw_density.F... paw_density.F:563:72: > paw_rho_ae(1,l2,ms)) 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_density.F:568:72: > paw_rho_ps(1,l2,ms)) 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_density.F:726:72: > paw_rho_ae_prime(1,l2,ms)) 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_density.F:733:72: > paw_rho_ps_prime(1,l2,ms)) 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_density' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_density' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_density.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_density' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_density' Making all in paw_xc gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_xc' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_xc' Compiling paw_xc.F... paw_xc.F:1275:72: > rho(1,ms)) 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:1315:72: > rho_prime(1,1,ms)) 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:1328:72: > rho_prime(1,2,ms)) 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:1335:72: > rho_prime(1,3,ms)) 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:671:72: > dcpl_mb(paw_dvxc_ps(1))) 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:686:72: > dcpl_mb(paw_vxc_ps(1))) 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:741:72: > dcpl_mb(paw_xc_matr(1))) 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] paw_xc.F:815:72: > dcpl_mb(paw_xc_dmatr(1))) 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) [-Wargument-mismatch] Compiling paw_vosko.F... Compiling paw_dirac_x.F... Compiling paw_gga.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_xc' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_xc' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_xc' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_xc' Making all in paw_force gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_force' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_force' Compiling paw_force.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_force' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_force' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_force.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_force' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_force' Making all in paw_Grsm_list gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_Grsm_list' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_Grsm_list' Compiling paw_Grsm_list.F... Compiling paw_lmbfgs.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_Grsm_list' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_Grsm_list' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_Grsm_list.o paw_lmbfgs.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_Grsm_list' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_Grsm_list' Making all in paw_psi gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_psi' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_psi' Compiling paw_psi.F... Compiling paw_psi2.F... Compiling paw_psi_new.F... Compiling paw_psi_H.F... Compiling paw_electron.F... Compiling paw_geodesic.F... paw_psi2.F:189:0: > dcpl_mb(t(1))) Warning: 'lmbda_r0' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_psi2.F:189:0: > dcpl_mb(t(1))) Warning: 'lmbda_r0' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_psi2.F:115:0: real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 note: 'lmbda_r0' was declared here gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_psi' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_psi' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_psi' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/paw_psi' Making all in cpsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cpsd' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cpsd' Compiling paw_sd.F... Compiling paw_cpmd.F... Compiling paw_inner_loop.F... Compiling paw_inner_loop_md.F... paw_inner_loop_md.F:128:0: real*8 eke,eki,sse,ssr,sa1,sa2 Warning: 'sa2' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_inner_loop_md.F:602:0: call Pack_c_SMul(1,dte*sa1,Hpsi(1,n),psi2(1,n)) Warning: 'sa1' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_inner_loop_md.F:128:0: real*8 eke,eki,sse,ssr,sa1,sa2 note: 'sa1' was declared here Compiling psi_marat_write.F... paw_cpmd.F:200:0: integer icount,it_in,it_out,icount_shift Warning: 'icount_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling paw_output.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cpsd' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cpsd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cpsd' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cpsd' Making all in cgsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cgsd' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cgsd' Compiling paw_energy.F... Compiling paw_noit_energy.F... Compiling paw_gradient.F... Compiling paw_stress.F... Compiling paw_minimizer.F... Compiling paw_cgsd_energy.F... Compiling paw_cgminimize.F... Compiling paw_bfgsminimize.F... paw_minimizer.F:505:0: > 3*nion,dbl_mb(fion(1))) Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_minimizer.F:64:0: integer i,k,ia,nion,minimizer,mapping,lmax,mapping1d note: 'nion' was declared here Compiling paw_nominimize.F... Compiling paw_sdminimize.F... Compiling paw_cgsd_noit_energy.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cgsd' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cgsd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cgsd' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cgsd' Making all in cell_optimize gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cell_optimize' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cell_optimize' Compiling paw_stress_numerical.F... Compiling paw_stress_fd.F... Compiling paw_cell_optimize.F... Compiling paw_update_unitcell.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cell_optimize' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cell_optimize' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cell_optimize' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw/cell_optimize' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a task_paw.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpaw.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/paw' Making all in band gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band' Compiling band_input.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band' Making all in minimizer gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/minimizer' Compiling task_band.F... gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/minimizer' Compiling band_energy.F... Compiling band_noit_energy.F... Compiling band_gradient.F... Compiling band_minimizer.F... Compiling band_stress.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band' Compiling c_cgsd_energy.F... band_minimizer.F:595:0: > 3*nion,dbl_mb(fion(1))) Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] band_minimizer.F:61:0: integer i,k,ia,nion,vers,nbrillioun,nb,ms note: 'nion' was declared here Compiling c_cgsd_noit_energy.F... Compiling c_cgsd_energy_gradient.F... Compiling c_cgsd_energy_stress.F... Compiling c_cgsd_excited.F... Compiling c_cgminimize.F... Compiling c_bfgsminimize.F... Compiling c_bybminimize.F... Compiling c_bybminimize2.F... Compiling c_sdminimize.F... Compiling c_nominimize.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/minimizer' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/minimizer' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_bfgsminimize.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/minimizer' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/minimizer' Making all in structure gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/structure' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/structure' Compiling band_structure.F... Compiling band_interpolate_structure.F... Compiling band_kp_structure.F... band_interpolate_structure.F:229:0: dist = (kv(1)-kold(1))**2 Warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_interpolate_structure.F:22:0: real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV note: 'kold[0]' was declared here band_interpolate_structure.F:231:0: dist = dist + (kv(3)-kold(3))**2 Warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_interpolate_structure.F:22:0: real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV note: 'kold[2]' was declared here band_interpolate_structure.F:230:0: dist = dist + (kv(2)-kold(2))**2 Warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_interpolate_structure.F:22:0: real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV note: 'kold[1]' was declared here band_kp_structure.F:190:0: dist = (kv(1)-kold(1))**2 Warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_kp_structure.F:23:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV note: 'kold[0]' was declared here band_kp_structure.F:191:0: dist = dist + (kv(2)-kold(2))**2 Warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_kp_structure.F:23:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV note: 'kold[1]' was declared here band_kp_structure.F:192:0: dist = dist + (kv(3)-kold(3))**2 Warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_kp_structure.F:23:0: real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV note: 'kold[2]' was declared here band_structure.F:704:0: dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) Warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_structure.F:60:0: real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut note: 'kold[2]' was declared here band_structure.F:704:0: dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) Warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_structure.F:60:0: real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut note: 'kold[1]' was declared here band_structure.F:704:0: dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) Warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_structure.F:60:0: real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut note: 'kold[0]' was declared here gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/structure' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/structure' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/structure' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/structure' Making all in cpsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cpsd' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cpsd' Compiling band_sd.F... Compiling band_cpmd.F... band_sd.F:825:0: write(luout,1457) E(20),E(20)/n2(ispin) Warning: 'n2[_366]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_sd.F:835:0: write(luout,1502) E(21),E(21)/n2(ispin) Warning: 'n2[_388]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling band_inner_loop.F... band_inner_loop.F:359:72: > dte) 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling band_inner_loop_md.F... band_inner_loop_md.F:425:72: > dte,sse) 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_inner_loop_md.F:441:72: > dte,sa1,sa2) 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_inner_loop_md.F:466:72: > dte,s*dt*sa_alpha(1)) 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_inner_loop_md.F:50:0: real*8 deltamm,weight,sa1,sa2,fmass,ssr,sse,r,s,h Warning: 'sa2' may be used uninitialized in this function [-Wmaybe-uninitialized] band_inner_loop_md.F:781:0: call Cram_c_SMul(nb,sa1*dte,Hpsi(1,n),psi2(1,n)) Warning: 'sa1' may be used uninitialized in this function [-Wmaybe-uninitialized] band_inner_loop_md.F:50:0: real*8 deltamm,weight,sa1,sa2,fmass,ssr,sse,r,s,h note: 'sa1' was declared here band_cpmd.F:1146:0: > smearfermi(2),smearfermi(2)*EV Warning: 'smearfermi[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] band_cpmd.F:89:0: integer icount,it_in,it_out,icount_shift Warning: 'icount_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] band_cpmd.F:1060:0: call print_elapsed_time(icount*it_in*dt) Warning: 'dt' may be used uninitialized in this function [-Wmaybe-uninitialized] band_cpmd.F:85:0: real*8 EV,pi,dt,a,b,c,alpha,beta,gamma note: 'dt' was declared here gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cpsd' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cpsd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cpsd' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cpsd' Making all in cell_optimize gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cell_optimize' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cell_optimize' Compiling band_stress_numerical.F... Compiling band_stress_fd.F... Compiling band_cell_optimize.F... Compiling band_update_unitcell.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cell_optimize' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cell_optimize' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cell_optimize' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/cell_optimize' Making all in kbpp gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/kbpp' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/kbpp' Compiling cpsp_formatter_auto.F... Compiling borbs_formatter.F... Compiling kbpp_band.F... Compiling kbpp_band_orb.F... Compiling setup_kbpp_band.f... Compiling integrate_kbpp_band_local.F... Compiling integrate_kbpp_band_nonlocal.F... Compiling integrate_kbpp_band_orb.F... Compiling kbpp_band_ray.F... Compiling integrate_kbpp_band_ray.F... Compiling integrate_kbpp_band_local_new.F... Compiling integrate_kbpp_band_nonlocal_new.F... Compiling cpsp_stress_formatter_auto.F... Compiling kbpp_band_stress.F... Compiling integrate_kbpp_band_stress_local.F... Compiling integrate_kbpp_band_stress_nonlocal.F... Compiling integrate_kbpp_band_stress_ray.F... Compiling integrate_kbpp_band_stress_local_new.F... Compiling integrate_kbpp_band_stress_nonlocal_new.F... Compiling HGH_band_local.F... Compiling HGH_band_nonlocal.F... Compiling Tesseral_band.F... Compiling Spherical_band.F... Compiling hghpp_band.F... Compiling rkbpp_band.F... rkbpp_band.F:792:0: real*8 function sjx(x,l,cosx,sinx) Warning: '__result_sjx' may be used uninitialized in this function [-Wmaybe-uninitialized] rkbpp_band.F:792:0: Warning: '__result_sjx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling kbpp_e_band.F... Compiling integrate_kbpp_e_band_nonlocal.F... rkbpp_band.F:792:0: Warning: '__result_sjx' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling integrate_kbpp_e_band_nonlocal_new.F... Compiling integrate_kbpp_e_band_local.F... Compiling integrate_kbpp_e_band_local_new.F... Compiling integrate_kbpp_e_band_ray.F... Compiling kbpp_e_band_stress.F... Compiling integrate_kbpp_e_band_stress_local.F... Compiling integrate_kbpp_e_band_stress_local_new.F... Compiling integrate_kbpp_e_band_stress_ray.F... Compiling integrate_kbpp_e_band_stress_nonlocal.F... Compiling integrate_kbpp_e_band_stress_nonlocal_new.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/kbpp' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/kbpp' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/kbpp' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/kbpp' Making all in makepsi gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/makepsi' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/makepsi' Compiling c_wvfnc_new.F... c_wvfnc_new.F:133:0: double complex cc,cx,sx,zx,zc Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] c_wvfnc_new.F:133:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling c_wvfnc_expander.F... Compiling c_wvfnc_adjust.F... c_wvfnc_adjust.F:139:0: double complex cc,cx,sx,zx,zc,rx,ry Warning: 'IMAGPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] c_wvfnc_adjust.F:139:0: Warning: 'REALPART_EXPR ' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling c_v_wvfnc_new.F... Compiling pspw_reformat_c_wvfnc.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/makepsi' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/makepsi' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/makepsi' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/makepsi' Making all in lib gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib' Making all in cpsp gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/cpsp' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/cpsp' Compiling cpsp.F... Compiling cpsp_relativistic.F... Compiling cpsp_projector.F... Compiling cpsp_stress.F... cpsp_relativistic.F:383:0: integer nfft3d,G(3),npack1,npack Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp_relativistic.F:383:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp_relativistic.F:383:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp.F:638:0: integer nfft3d,G(3),npack1,npack Warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp.F:638:0: Warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp.F:638:0: Warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling c_semicore.F... cpsp_stress.F:249:0: integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift Warning: 'occ1_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling c_semicore_force.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/cpsp' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/cpsp' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/cpsp' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/cpsp' Making all in ke gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/ke' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/ke' Compiling cke.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/ke' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/ke' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a cke.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/ke' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/ke' Making all in coulomb gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/coulomb' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/coulomb' Compiling c_coulomb.F... Compiling c_coulomb_screened.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/coulomb' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/coulomb' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a c_coulomb.o c_coulomb_screened.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/coulomb' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/coulomb' Making all in electron gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/electron' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/electron' Compiling c_electron.F... c_electron.F:325:72: > dte) 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling cpsi_H.F... cpsi_H.F:148:0: if (dohfx) Hpsir_shift = Hpsir_shift + nshift1 Warning: 'hpsir_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsi_H.F:33:0: integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2 note: 'hpsir_shift' was declared here gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/electron' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/electron' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a c_electron.o cpsi_H.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/electron' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/electron' Making all in psi gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/psi' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/psi' Compiling cpsi.F... Compiling c_geodesic.F... Compiling cpsi_lmbda.F... Compiling cpsi_KS.F... cpsi_KS.F:1358:72: > dbl_mb(psi1_shift+(i-1)*nshift)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] cpsi_KS.F:362:72: > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] cpsi_KS.F:1464:72: > dbl_mb(psi_ptr)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling BGrsm.F... cpsi_KS.F:451:72: call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling cpsi_spin2.F... cpsi_KS.F:2412:72: call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling c_check.F... Compiling cpsi_read.F... Compiling cpsi_write.F... Compiling crho_read.F... Compiling crho_write.F... Compiling cpsi_new.F... Compiling v_cpsi_new.F... Compiling v_cpsi_read.F... Compiling v_cpsi_write.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/psi' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/psi' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a cpsi.o c_geodesic.o cpsi_lmbda.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/psi' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/psi' Making all in hfx gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/hfx' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/hfx' Compiling band_hfx.F... band_hfx.F:357:72: > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_hfx.F:373:72: > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_hfx.F:424:72: > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_hfx.F:469:72: > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_hfx.F:498:72: > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_hfx.F:515:72: > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] band_hfx.F:599:72: > orb_r,Horb_r) 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/hfx' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/hfx' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a band_hfx.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/hfx' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/hfx' Making all in Grsm_list gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/Grsm_list' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/Grsm_list' Compiling band_Grsm_list.F... Compiling band_lmbfgs.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/Grsm_list' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/Grsm_list' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a band_Grsm_list.o band_lmbfgs.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/Grsm_list' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/Grsm_list' Making all in borbs gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/borbs' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/borbs' Compiling borbs.F... borbs.F:612:72: > ierr) 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) [-Wargument-mismatch] Compiling borb_projector.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/borbs' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/borbs' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a borbs.o borb_projector.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/borbs' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib/borbs' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/lib' Making all in dplot gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/dplot' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/dplot' Compiling band_dplot_input.F... Compiling band_dplot.F... Compiling band_dplot_iteration.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/dplot' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/dplot' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/dplot' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/dplot' Making all in analysis gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis' Making all in APC gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis/APC' Compiling band_analysis.F... Compiling orb_pop_borb.F... gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis/APC' band_analysis.F:341:0: WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1), Warning: 'sum_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] band_analysis.F:52:0: integer A_shift,sum_shift,psi_shift,eig_shift note: 'sum_shift' was declared here Compiling band_APC.F... Compiling band_Efield.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis/APC' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis/APC' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a band_APC.o band_Efield.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis/APC' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis/APC' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a band_analysis.o orb_pop_borb.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band/analysis' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libband.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/band' Making all in ofpw gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw' Making all in minimizer gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/minimizer' Compiling ofpw_energy.F... gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/minimizer' Compiling task_ofpw.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw' Compiling ofpw_minimizer.F... Compiling ofpw_cgsd_energy.F... ofpw_minimizer.F:508:0: > 3*nion,dbl_mb(fion(1))) Warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] ofpw_minimizer.F:63:0: integer i,k,ia,nion,minimizer,mapping,mapping1d note: 'nion' was declared here Compiling ofpw_cgminimize.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/minimizer' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/minimizer' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/minimizer' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/minimizer' Making all in cpsd gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/cpsd' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/cpsd' Compiling ofpwsd.F... Compiling inner_loop_ofpw.F... Compiling chi_lmbda.f... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/cpsd' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/cpsd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/cpsd' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/cpsd' Making all in lib gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib' Making all in chi gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/chi' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/chi' Compiling chi_read.F... Compiling chi_write.F... Compiling chi_new.F... Compiling chi_expander.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/chi' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/chi' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/chi' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/chi' Making all in electron gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/electron' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/electron' Compiling chi_H.F... Compiling chi_Hv4.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/electron' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/electron' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a chi_H.o chi_Hv4.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/electron' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/electron' Making all in ke gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/ke' Compiling v_thomasfermi.F... gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/ke' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a v_thomasfermi.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/ke' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/ke' Making all in WGC gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/WGC' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/WGC' Compiling wgc.F... gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/WGC' gmake[7]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/WGC' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a wgc.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a gmake[7]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/WGC' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib/WGC' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib' gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw/lib' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a ofpw_energy.o task_ofpw.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libofpw.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw/ofpw' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpw.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpw.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpw.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwpw.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwpw' Making libraries in fft gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft' Making all in pfft1.0 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0' Making all in fftpack gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/fftpack' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/fftpack' Compiling dcfftb.F... Compiling dcfftf.F... Compiling dcffti.F... Compiling dcftb1.F... Compiling dcftf1.F... Compiling dcfti1.F... dcfti1.F:16:0: if (j.gt.4) ntry = ntry + 2 Warning: 'ntry' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling dpssb.F... Compiling dpssb2.F... dpssb2.F:22:41: dpssb2.F:17:72: do 103 i=2,ido,2 2 dpssb2.F:22:41: ch(i,k,2) = wa1(i-1)*ti2+wa1(i)*tr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb2.F:23:43: dpssb2.F:17:72: do 103 i=2,ido,2 2 dpssb2.F:23:43: ch(i-1,k,2) = wa1(i-1)*tr2-wa1(i)*ti2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssb3.F... dpssb3.F:43:41: dpssb3.F:30:72: do 103 i=2,ido,2 2 dpssb3.F:43:41: ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:44:43: dpssb3.F:30:72: do 103 i=2,ido,2 2 dpssb3.F:44:43: ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:45:41: dpssb3.F:30:72: do 103 i=2,ido,2 2 dpssb3.F:45:41: ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:46:43: dpssb3.F:30:72: do 103 i=2,ido,2 2 dpssb3.F:46:43: ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssb4.F... dpssb4.F:48:43: dpssb4.F:31:72: do 103 i=2,ido,2 2 dpssb4.F:48:43: ch(i-1,k,2) = wa1(i-1)*cr2-wa1(i)*ci2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:49:41: dpssb4.F:31:72: do 103 i=2,ido,2 2 dpssb4.F:49:41: ch(i,k,2) = wa1(i-1)*ci2+wa1(i)*cr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:50:43: dpssb4.F:31:72: do 103 i=2,ido,2 2 dpssb4.F:50:43: ch(i-1,k,3) = wa2(i-1)*cr3-wa2(i)*ci3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:51:41: dpssb4.F:31:72: do 103 i=2,ido,2 2 dpssb4.F:51:41: ch(i,k,3) = wa2(i-1)*ci3+wa2(i)*cr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:52:43: dpssb4.F:31:72: do 103 i=2,ido,2 2 dpssb4.F:52:43: ch(i-1,k,4) = wa3(i-1)*cr4-wa3(i)*ci4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:53:41: dpssb4.F:31:72: do 103 i=2,ido,2 2 dpssb4.F:53:41: ch(i,k,4) = wa3(i-1)*ci4+wa3(i)*cr4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssb5.F... dpssb5.F:78:43: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:78:43: ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:79:41: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:79:41: ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:80:43: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:80:43: ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:81:41: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:81:41: ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:82:43: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:82:43: ch(i-1,k,4) = wa3(i-1)*dr4-wa3(i)*di4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:83:41: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:83:41: ch(i,k,4) = wa3(i-1)*di4+wa3(i)*dr4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:84:43: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:84:43: ch(i-1,k,5) = wa4(i-1)*dr5-wa4(i)*di5 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:85:41: dpssb5.F:51:72: do 103 i=2,ido,2 2 dpssb5.F:85:41: ch(i,k,5) = wa4(i-1)*di5+wa4(i)*dr5 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf.F... Compiling dpssf2.F... dpssf2.F:22:41: dpssf2.F:17:72: do 103 i=2,ido,2 2 dpssf2.F:22:41: ch(i,k,2) = wa1(i-1)*ti2-wa1(i)*tr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf2.F:23:43: dpssf2.F:17:72: do 103 i=2,ido,2 2 dpssf2.F:23:43: ch(i-1,k,2) = wa1(i-1)*tr2+wa1(i)*ti2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf3.F... dpssf3.F:41:41: dpssf3.F:28:72: do 103 i=2,ido,2 2 dpssf3.F:41:41: ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:42:43: dpssf3.F:28:72: do 103 i=2,ido,2 2 dpssf3.F:42:43: ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:43:41: dpssf3.F:28:72: do 103 i=2,ido,2 2 dpssf3.F:43:41: ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:44:43: dpssf3.F:28:72: do 103 i=2,ido,2 2 dpssf3.F:44:43: ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf4.F... dpssf4.F:48:43: dpssf4.F:31:72: do 103 i=2,ido,2 2 dpssf4.F:48:43: ch(i-1,k,2) = wa1(i-1)*cr2+wa1(i)*ci2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:49:41: dpssf4.F:31:72: do 103 i=2,ido,2 2 dpssf4.F:49:41: ch(i,k,2) = wa1(i-1)*ci2-wa1(i)*cr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:50:43: dpssf4.F:31:72: do 103 i=2,ido,2 2 dpssf4.F:50:43: ch(i-1,k,3) = wa2(i-1)*cr3+wa2(i)*ci3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:51:41: dpssf4.F:31:72: do 103 i=2,ido,2 2 dpssf4.F:51:41: ch(i,k,3) = wa2(i-1)*ci3-wa2(i)*cr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:52:43: dpssf4.F:31:72: do 103 i=2,ido,2 2 dpssf4.F:52:43: ch(i-1,k,4) = wa3(i-1)*cr4+wa3(i)*ci4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:53:41: dpssf4.F:31:72: do 103 i=2,ido,2 2 dpssf4.F:53:41: ch(i,k,4) = wa3(i-1)*ci4-wa3(i)*cr4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dpssf5.F... dpssf5.F:73:43: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:73:43: ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:74:41: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:74:41: ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:75:43: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:75:43: ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:76:41: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:76:41: ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:77:43: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:77:43: ch(i-1,k,4) = wa3(i-1)*dr4+wa3(i)*di4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:78:41: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:78:41: ch(i,k,4) = wa3(i-1)*di4-wa3(i)*dr4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:79:43: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:79:43: ch(i-1,k,5) = wa4(i-1)*dr5+wa4(i)*di5 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:80:41: dpssf5.F:46:72: do 103 i=2,ido,2 2 dpssf5.F:80:41: ch(i,k,5) = wa4(i-1)*di5-wa4(i)*dr5 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling drfftb.F... Compiling drfftf.F... Compiling drffti.F... Compiling drftb1.F... Compiling drftf1.F... Compiling drfti1.F... Compiling dradb2.F... dradb2.F:30:44: dradb2.F:25:72: do i = 1, (ido - 1)/2 2 dradb2.F:30:44: ch(i*2,k,2) = wa1(i*2-1)*tr2 - wa1(i*2)*ti2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb2.F:31:46: dradb2.F:25:72: do i = 1, (ido - 1)/2 2 dradb2.F:31:46: ch(1+i*2,k,2) = wa1(i*2-1)*ti2 + wa1(i*2)*tr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradb3.F... dradb3.F:43:44: dradb3.F:30:72: do i = 1, ((ido - 1)/2) 2 dradb3.F:43:44: ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:44:46: dradb3.F:30:72: do i = 1, ((ido - 1)/2) 2 dradb3.F:44:46: ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:45:44: dradb3.F:30:72: do i = 1, ((ido - 1)/2) 2 dradb3.F:45:44: ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:46:46: dradb3.F:30:72: do i = 1, ((ido - 1)/2) 2 dradb3.F:46:46: ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradb4.F... dradb4.F:51:44: dradb4.F:34:72: do i = 1, ((ido - 1)/2) 2 dradb4.F:51:44: ch(i*2,k,2) = wa1(i*2-1)*cr2 - wa1(i*2)*ci2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:52:46: dradb4.F:34:72: do i = 1, ((ido - 1)/2) 2 dradb4.F:52:46: ch(1+i*2,k,2) = wa1(i*2-1)*ci2 + wa1(i*2)*cr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:53:44: dradb4.F:34:72: do i = 1, ((ido - 1)/2) 2 dradb4.F:53:44: ch(i*2,k,3) = wa2(i*2-1)*cr3 - wa2(i*2)*ci3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:54:46: dradb4.F:34:72: do i = 1, ((ido - 1)/2) 2 dradb4.F:54:46: ch(1+i*2,k,3) = wa2(i*2-1)*ci3 + wa2(i*2)*cr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:55:44: dradb4.F:34:72: do i = 1, ((ido - 1)/2) 2 dradb4.F:55:44: ch(i*2,k,4) = wa3(i*2-1)*cr4 - wa3(i*2)*ci4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:56:46: dradb4.F:34:72: do i = 1, ((ido - 1)/2) 2 dradb4.F:56:46: ch(1+i*2,k,4) = wa3(i*2-1)*ci4 + wa3(i*2)*cr4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradb5.F... dradb5.F:68:44: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:68:44: ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:69:46: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:69:46: ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:70:44: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:70:44: ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:71:46: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:71:46: ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:72:44: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:72:44: ch(i*2,k,4) = wa3(i*2-1)*dr4 - wa3(i*2)*di4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:73:46: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:73:46: ch(1+i*2,k,4) = wa3(i*2-1)*di4 + wa3(i*2)*dr4 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:74:44: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:74:44: ch(i*2,k,5) = wa4(i*2-1)*dr5 - wa4(i*2)*di5 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:75:46: dradb5.F:41:72: do i = 1, ((ido - 1)/2) 2 dradb5.F:75:46: ch(1+i*2,k,5) = wa4(i*2-1)*di5 + wa4(i*2)*dr5 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradbg.F... Compiling dradf2.F... dradf2.F:26:44: do i = 1, ((ido - 1)/2) 2 tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf2.F:27:46: dradf2.F:25:72: do i = 1, ((ido - 1)/2) 2 dradf2.F:27:46: ti2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf3.F... dradf3.F:29:44: do i = 1, ((ido - 1)/2) 2 dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:30:46: dradf3.F:28:72: do i = 1, ((ido - 1)/2) 2 dradf3.F:30:46: di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:31:44: dradf3.F:28:72: do i = 1, ((ido - 1)/2) 2 dradf3.F:31:44: dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:32:46: dradf3.F:28:72: do i = 1, ((ido - 1)/2) 2 dradf3.F:32:46: di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf4.F... dradf4.F:33:44: do i = 1, ((ido - 1)/2) 2 cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:34:46: dradf4.F:32:72: do i = 1, ((ido - 1)/2) 2 dradf4.F:34:46: ci2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:35:44: dradf4.F:32:72: do i = 1, ((ido - 1)/2) 2 dradf4.F:35:44: cr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:36:46: dradf4.F:32:72: do i = 1, ((ido - 1)/2) 2 dradf4.F:36:46: ci3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:37:44: dradf4.F:32:72: do i = 1, ((ido - 1)/2) 2 dradf4.F:37:44: cr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:38:46: dradf4.F:32:72: do i = 1, ((ido - 1)/2) 2 dradf4.F:38:46: ci4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradf5.F... dradf5.F:38:44: do i = 1, ((ido - 1)/2) 2 dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:39:46: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:39:46: di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:40:44: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:40:44: dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:41:46: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:41:46: di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:42:44: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:42:44: dr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:43:46: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:43:46: di4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:44:44: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:44:44: dr5 = wa4(i*2-1)*cc(i*2,k,5) + wa4(i*2)*cc(1+i*2,k,5) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:45:46: dradf5.F:37:72: do i = 1, ((ido - 1)/2) 2 dradf5.F:45:46: di5 = wa4(i*2-1)*cc(1+i*2,k,5) - wa4(i*2)*cc(i*2,k,5) 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling dradfg.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/fftpack' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/fftpack' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpfft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpfft.a dcfftb.o dcfftf.o dcffti.o dcftb1.o dcftf1.o dcfti1.o dpssb.o dpssb2.o dpssb3.o dpssb4.o dpssb5.o dpssf.o dpssf2.o dpssf3.o dpssf4.o dpssf5.o drfftb.o drfftf.o drffti.o drftb1.o drftf1.o drfti1.o dradb2.o dradb3.o dradb4.o dradb5.o dradbg.o dradf2.o dradf3.o dradf4.o dradf5.o dradfg.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpfft.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpfft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpfft.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/fftpack' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/fftpack' Making all in pfft gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/pfft' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/pfft' Compiling blktrn.F... Compiling drain.F... Compiling fillup.F... Compiling mapfil.F... Compiling mapchk.F... Compiling prlst2.F... Compiling xstop.F... Compiling pairup.F... Compiling gexit.F... Compiling igdiff.F... Compiling lstcnt.F... Compiling lstind.F... Compiling pfft.F... Compiling pfft3d.F... Compiling prfft3.F... Compiling prfft.F... Compiling prffti.F... Compiling chk3d.F... Compiling mfftc1.F... Compiling mfftr1.F... Compiling mcfftr.F... Compiling mrfftr.F... Compiling pfft1i.F... Compiling pfft1.F... Compiling wrkspc2.F... gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/pfft' gmake[6]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/pfft' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpfft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpfft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpfft.a gmake[6]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/pfft' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0/pfft' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0' gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfft1.0' Making all in pfftwrap gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfftwrap' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfftwrap' Compiling nwfft3d.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfftwrap' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfftwrap' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpfft.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpfft.a nwfft3d.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpfft.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libpfft.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfftwrap' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft/pfftwrap' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/fft' Making libraries in analyz gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/analyz' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/analyz' Compiling ana_angle.F... Compiling ana_atrad.F... Compiling ana_bond.F... Compiling ana_chgdst.F... Compiling ana_data.F... Compiling ana_define.F... Compiling ana_diel.F... Compiling ana_esppt.F... Compiling ana_finish.F... Compiling ana_groups.F... Compiling ana_hbond.F... Compiling ana_index.F... Compiling ana_init.F... Compiling ana_inirms.F... Compiling ana_initx.F... ana_groups.F:431:0: xa(1)=xa(1)+x(ia,1) Warning: 'xa[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:444:0: xb(3)=xb(3)+x(ia,3) Warning: 'xb[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:442:0: xb(1)=xb(1)+x(ia,1) Warning: 'xb[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:432:0: xa(2)=xa(2)+x(ia,2) Warning: 'xa[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:433:0: xa(3)=xa(3)+x(ia,3) Warning: 'xa[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] ana_groups.F:443:0: xb(2)=xb(2)+x(ia,2) Warning: 'xb[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling ana_input.F... Compiling ana_pltgrd.F... Compiling ana_rama.F... Compiling ana_rdhdr.F... Compiling ana_rdf.F... Compiling ana_rdfram.F... Compiling ana_rdref.F... Compiling ana_rdtop.F... Compiling ana_report.F... ana_report.F:135:0: + ndxj(j,3),jtxt(j),tim(j),100.0d0*tim(j)/(timf-timi) Warning: 'timf' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling ana_rmsdev.F... Compiling ana_rtdbin.F... Compiling ana_select.F... Compiling ana_sizref.F... Compiling ana_tag.F... Compiling ana_task.F... Compiling ana_torsion.F... Compiling ana_wtfram.F... Compiling ana_wthdr.F... Compiling ana_wrtpdb.F... Compiling ana_wrtxyz.F... Compiling ana_xaver.F... Compiling ana_covar.F... Compiling analyz.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/analyz' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/analyz' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libanalyze.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libanalyze.a ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libanalyze.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libanalyze.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libanalyze.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/analyz' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/analyz' Making libraries in nwmd gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwmd' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwmd' Compiling nwmd.F... Compiling md_start.F... Compiling md_input.F... Compiling md_main.F... Compiling md_finish.F... md_start.F:1323:44: if(nserie.gt.0) call md_rdrest(lfnrst,filrst) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) [-Wargument-mismatch] Compiling prp_init.F... Compiling prp_main.F... md_main.F:647:28: call md_wrtrst(lfnqrs,filqrs,.false.) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) [-Wargument-mismatch] md_main.F:1203:28: call md_wrtrst(lfnqrs,filqrs,.false.) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) [-Wargument-mismatch] md_main.F:1310:28: call md_wrtrst(lfnrst,rfile,.true.) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) [-Wargument-mismatch] md_main.F:1608:57: if(frequency(mdstep,nfrest)) call md_wrtrst(lfnrst,rfile,.true.) 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) [-Wargument-mismatch] md_start.F:319:0: root=filnam(1:ibl)//gid Warning: 'ibl' may be used uninitialized in this function [-Wmaybe-uninitialized] md_start.F:12:0: integer iun,ibl note: 'ibl' was declared here gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwmd' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwmd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwmd.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwmd.a nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwmd.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwmd.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libnwmd.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwmd' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/nwmd' Making libraries in cafe gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cafe' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cafe' Compiling cf_d.F... Compiling cf_fp.F... Compiling cf_f.F... Compiling cf_finish.F... Compiling cf_forces.F... Compiling cf_forcep.F... Compiling cf_hopping.F... Compiling cf_induce.F... Compiling cf_init.F... Compiling cf_list.F... Compiling cf_main.F... Compiling cf_pairs.F... Compiling cf_pbc.F... Compiling cf_rdgeom.F... Compiling cf_shake.F... Compiling cf_grid.F... Compiling cf_rdtop.F... Compiling cf_uhop.F... Compiling pme_init.F... Compiling pme_fft.F... Compiling pme_grid.F... cf_f.fh:4664:0: elseif(isrx.lt.0) then Warning: 'isrx' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cafe' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cafe' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcafe.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcafe.a cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcafe.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcafe.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libcafe.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cafe' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cafe' Making libraries in space gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/space' Compiling sp_init.F... Compiling sp_main.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/space' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libspace.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libspace.a sp_init.o sp_main.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libspace.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libspace.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libspace.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/space' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/space' Making libraries in drdy gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/drdy' Compiling atsym.F... Compiling drdy.F... Compiling drdy_input.F... Compiling Input_for_drdy.F... Compiling drdy_synch.F... Compiling read_drdy_rtdb.F... Compiling rgener.F... Compiling ratoms.F... Compiling rstat.F... Compiling rpath.F... Compiling rgeom.F... Compiling rgsad.F... Compiling rphwrt.F... Compiling drdy_sort.F... Compiling react.F... Compiling potset_nwchem.F... Compiling trans.F... Compiling tranf.F... Compiling drdy_center.F... Compiling rotx.F... Compiling moiten.F... Compiling pot2.F... Compiling rotmat.F... Compiling rotg.F... Compiling rotf.F... Compiling restor.F... Compiling drdy_nwc_get.F... Compiling react2.F... Compiling saddle.F... Compiling setpth.F... Compiling diagf.F... Compiling pmlqsp.F... Compiling mxlneq.F... Compiling pmclqa.F... Compiling path.F... Compiling path2.F... Compiling pot1.F... Compiling euler.F... Compiling pmlqa.F... Compiling dsdt.F... Compiling rsp.F... Compiling pmcube.F... Compiling fdiag.F... Compiling potsp.F... Compiling projct.F... Compiling pythag.F... Compiling getstr.F... Compiling io.F... Compiling sumout.F... Compiling wfiles.F... Compiling nwc_gen.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/drdy' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdrdy.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdrdy.a atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdrdy.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdrdy.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdrdy.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/drdy' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/drdy' Making libraries in vscf gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vscf' Compiling vscf_input.F... Compiling vscf.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vscf' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libvscf.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libvscf.a vscf_input.o vscf.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libvscf.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libvscf.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libvscf.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vscf' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/vscf' Making libraries in qmmm gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmmm' Compiling qmmm.F... Compiling task_qmmm_gradient.F... Compiling mm_interface.F... Compiling qmmm_link.F... Compiling qmmm_data.F... Compiling qmmm_lbfgsb.F... Compiling qmmm_utils.F... Compiling task_qmmm_energy.F... Compiling qmmm_main.F... Compiling qmmm_check_forces.F... Compiling qmmm_bq.F... Compiling qmmm_esp.F... Compiling qmmm_cons.F... Compiling qmmm_geom.F... Compiling qmmm_bq_data.F... Compiling task_qmmm_optimize.F... qmmm_geom.F:703:28: > 0, 1 Warning: Rank mismatch in argument 'aiw' at (1) (rank-1 and scalar) [-Wargument-mismatch] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] qmmm_bq_data.fh:27:26: common/qmmm_bq_data/ 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use -fno-align-commons [-Walign-commons] Compiling task_qmmm_dynamics.F... Compiling qmmm_output.F... Compiling mm_utils.F... Compiling qmmm_input.F... Compiling qmmm_pes.F... Compiling qmmm_property.F... Compiling task_qmmm_fep.F... Compiling task_qmmm_abc.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmmm' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqmmm.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqmmm.a qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqmmm.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqmmm.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqmmm.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmmm' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmmm' Making libraries in qmd gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmd' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmd' Compiling qmd_init.F... Compiling qmd_driver.F... Compiling qmd_main.F... Compiling qmd_input.F... Compiling qmd_start.F... Compiling task_qmd.F... Compiling qmd_nucl_dt2.F... Compiling qmd_nucl_dt.F... Compiling qmd_gradient.F... Compiling qmd_geom_store.F... Compiling qmd_thermostat.F... Compiling qmd_kinetic.F... Compiling qmd_write_trj.F... Compiling qmd_write_rst.F... Compiling qmd_ran1.F... Compiling qmd_gasdev.F... Compiling qmd_randomize.F... Compiling qmd_nucl_pos.F... Compiling qmd_nucl_vel.F... Compiling qmd_read_rst.F... Compiling qmd_gamdev.F... Compiling qmd_sumno.F... Compiling qmd_fix_momentum.F... Compiling qmd_freeze_inactive.F... Compiling qmd_cavity.F... Compiling qmd_energy.F... Compiling qmd_coup.F... Compiling qmd_move_civecs.F... Compiling qmd_elec_prop.F... Compiling qmd_tdks_enmo.F... Compiling qmd_tddft_enmo.F... Compiling qmd_namd_init.F... Compiling qmd_namd_input.F... Compiling qmd_set_den.F... Compiling qmd_coords_vels.F... Compiling qmd_civecs_read.F... Compiling qmd_property.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmd' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqmd.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqmd.a qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqmd.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqmd.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libqmd.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmd' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/qmd' Making libraries in etrans gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/etrans' Compiling et_calc.F... Compiling et_calc_fmo.F... Compiling et_fmo_util.F... Compiling et_input.F... Compiling et_det.F... Compiling et_2e.F... Compiling et_dgefa.F... Compiling et_movecs_read.F... Compiling et_vectors_inp.F... Compiling et_fock.F... Compiling et_dens_prod.F... Compiling et_omega2_mult.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/etrans' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libetrans.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libetrans.a et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_dgefa.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libetrans.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libetrans.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libetrans.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/etrans' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/etrans' Making libraries in tce gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce' Compiling tce_input.F... Compiling tce_init.F... Compiling tce_energy.F... Compiling tce_energy_fragment.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce' Making all in include gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/include' Compiling tce_tile.F... Compiling tce_ao1e.F... Compiling tce_mo1e.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/include' Compiling tce_ao2e.F... Compiling tce_filename.F... Compiling createfile.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/include' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/include' Making all in diis gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis' Compiling deletefile.F... tce_tile.F:357:0: oatiles(1)=nblocks_a Warning: 'nblocks_a' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_tile.F:68:0: integer nblocks_a,nblocks_ia note: 'nblocks_a' was declared here Compiling reconcilefile.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis' deletefile.F:22:0: integer i,j Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling dratoga.F... Compiling gatodra.F... Compiling gatoeaf.F... Compiling get_block.F... get_block.F:64:0: filename = filenames(j) Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block.F:21:0: integer i,j note: 'j' was declared here Compiling tce_diis.F... Compiling put_block.F... put_block.F:64:0: filename = filenames(j) Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] put_block.F:21:0: integer i,j note: 'j' was declared here Compiling tce_diis_init.F... Compiling add_block.F... Compiling tce_diis_switch.F... Compiling tce_tidy.F... add_block.F:76:0: filename = filenames(j) Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] add_block.F:29:0: integer i,j note: 'j' was declared here Compiling tce_diis_tidy.F... Compiling sf_test.F... Compiling tce_jacobi_t1.F... Compiling hbar.F... Compiling tce_jacobi_t2.F... Compiling tce_jacobi_t3.F... Compiling tce_mo2e.F... Compiling tce_jacobi_t4.F... Compiling tce_mo1e_offset.F... Compiling tce_jacobi_l1.F... Compiling tce_mo2e_offset.F... Compiling tce_jacobi_l2.F... Compiling tce_e_offset.F... Compiling tce_guess_t1.F... Compiling tce_jacobi_l3.F... Compiling tce_guess_t2.F... Compiling tce_jacobi_l4.F... Compiling tce_zero.F... Compiling tce_jacobi_x1.F... Compiling tce_print_x1.F... Compiling tce_jacobi_x2.F... Compiling tce_print_x2.F... Compiling tce_jacobi_x3.F... Compiling tce_jacobi_x4.F... Compiling tce_residual_t1.F... Compiling tce_residual_t2.F... Compiling tce_jacobi_y1.F... Compiling tce_jacobi_y2.F... Compiling tce_residual_t3.F... Compiling tce_jacobi_y3.F... Compiling tce_jacobi_y4.F... Compiling tce_residual_t4.F... Compiling tce_jacobi_t3a.F... Compiling ma_pack.F... Compiling tce_jacobi_x3a.F... Compiling sf_print.F... Compiling t2_2_y2.F... Compiling ma_print_compact.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis' Compiling ma_scale.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis' Compiling copyfile.F... Compiling ddotfile.F... Compiling daxfile.F... Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis' Making all in diis2 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis2' Compiling daxpyfile.F... Compiling dscalfile.F... Compiling tce_aod1.F... Compiling tce_nud1.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis2' Compiling tce_mod1.F... Compiling tce_mod1_offset.F... Compiling sym_abelian_axis.F... sym_abelian_axis.F:21:0: #include "global.fh" ! ga_nodeid() Warning: extra tokens at end of #include directive sym_abelian_axis.F:22:0: #include "util.fh" ! util_print(..) Warning: extra tokens at end of #include directive sym_abelian_axis.F:23:0: #include "stdio.fh" ! LuOut=6 Warning: extra tokens at end of #include directive Compiling tce_mod1_new.F... Compiling tce_diis2.F... Compiling tce_mod1_offset_new.F... Compiling tce_jacobi_tr1.F... Compiling tce_eom_init.F... Compiling tce_eom_tidy.F... Compiling tce_jacobi_tr2.F... Compiling tce_eom_xdiagon.F... Compiling tce_jacobi_tr3.F... Compiling tce_eom_ydiagon.F... Compiling tce_t1_offset.F... Compiling tce_jacobi_tr4.F... Compiling tce_t2_offset.F... Compiling tce_jacobi_lr1.F... Compiling tce_t3_offset.F... Compiling tce_jacobi_lr2.F... Compiling tce_t4_offset.F... Compiling tce_jacobi_lr3.F... Compiling tce_jacobi_lr4.F... Compiling tce_x1_offset.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis2' Compiling tce_x2_offset.F... Compiling tce_x3_offset.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis2' Compiling tce_x4_offset.F... Compiling tce_y1_offset.F... Compiling tce_y2_offset.F... Compiling tce_y3_offset.F... Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis2' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/diis2' Making all in gradients gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/gradients' Compiling tce_y4_offset.F... Compiling tce_mbpt2.F... Compiling tce_restricted.F... Compiling tce_hash.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/gradients' Compiling get_hash_block.F... Compiling put_hash_block.F... Compiling add_hash_block.F... Compiling tce_residual_t3a.F... Compiling tce_gradient.F... Compiling tce_t3a_offset.F... Compiling ccsd_energy.F... Compiling tce_x3a_offset.F... Compiling ccsd_left.F... Compiling tce_cholesky.F... Compiling ccsd_gradient.F... Compiling tce_ao2e_cholesky.F... Compiling ccsd_1pdm_hh_mo.F... Compiling tce_ao2e_cholesky_2d.F... Compiling tce_ao2e_cholesky_4d.F... Compiling ccsd_1pdm_pp_mo.F... Compiling ccsd_1pdm_hp_mo.F... Compiling e2_offset_2_offset.F... Compiling get_block_ind.F... Compiling ccsd_1pdm_ph_mo.F... get_block_ind.F:507:0: key_alpha = second_h Warning: 'second_h' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:59:0: integer key_ix,nkey,first_h,second_h note: 'second_h' was declared here get_block_ind.F:219:0: key_alpha = first_h Warning: 'first_h' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:59:0: integer key_ix,nkey,first_h,second_h note: 'first_h' was declared here get_block_ind.F:200:0: 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) Warning: 'inx4' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:61:0: integer inx1,inx2,inx3,inx4 note: 'inx4' was declared here get_block_ind.F:200:0: 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) Warning: 'inx3' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:61:0: integer inx1,inx2,inx3,inx4 note: 'inx3' was declared here get_block_ind.F:515:0: ig2b=int_mb(k_b2am+g2b-1) Warning: 'inx2' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:61:0: integer inx1,inx2,inx3,inx4 note: 'inx2' was declared here get_block_ind.F:200:0: 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) Warning: 'inx1' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind.F:61:0: integer inx1,inx2,inx3,inx4 note: 'inx1' was declared here Compiling get_block_ind_sf.F... Compiling tce_hash_ind.F... Compiling ccsd_2pdm_hhhh_mo.F... Compiling tce_mo2e_offset_intorb.F... Compiling ccsd_2pdm_hhhp_mo.F... Compiling tce_mo2e_offset_size.F... Compiling ccsd_2pdm_hhpp_mo.F... get_block_ind_sf.F:435:0: key_alpha = second_h Warning: 'second_h' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:45:0: integer key_ix,nkey,first_h,second_h note: 'second_h' was declared here get_block_ind_sf.F:207:0: key_alpha = first_h Warning: 'first_h' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:45:0: integer key_ix,nkey,first_h,second_h note: 'first_h' was declared here get_block_ind_sf.F:524:0: size4 = int_mb(k_range+g4b-1) Warning: 'inx4' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:47:0: integer inx1,inx2,inx3,inx4 note: 'inx4' was declared here get_block_ind_sf.F:522:0: size3 = int_mb(k_range+g3b-1) Warning: 'inx3' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:47:0: integer inx1,inx2,inx3,inx4 note: 'inx3' was declared here get_block_ind_sf.F:525:0: size2 = int_mb(k_range+g2b-1) Warning: 'inx2' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:47:0: integer inx1,inx2,inx3,inx4 note: 'inx2' was declared here get_block_ind_sf.F:523:0: size1 = int_mb(k_range+g1b-1) Warning: 'inx1' may be used uninitialized in this function [-Wmaybe-uninitialized] get_block_ind_sf.F:47:0: integer inx1,inx2,inx3,inx4 note: 'inx1' was declared here Compiling ccsd_2pdm_hphh_mo.F... Compiling ccsd_2pdm_hphp_mo.F... Compiling tce_mo2e_trans.F... Compiling atpart_nalength.F... Compiling ccsd_2pdm_hppp_mo.F... Compiling ccsd_2pdm_pphh_mo.F... Compiling tce_mo2e_zones_4a_disk_ga.F... Compiling ccsd_2pdm_pphp_mo.F... Compiling ccsd_2pdm_pppp_mo.F... Compiling tce_mo2e_zones_4a_disk_ga_chop.F... Compiling tce_mo2e_zones_4a_disk_2s_new.F... Compiling tce_restart.F... Compiling zvec_x_a_a.F... Compiling zvec_x_a_b_a.F... Compiling tce_restart_triples.F... Compiling tce_restart_quadruples.F... Compiling tce_dens_hh_offset.F... Compiling tce_dens_hp_offset.F... Compiling tce_dens_pp_offset.F... Compiling zvec_x_a_b_b.F... Compiling zvec_x_a_c_a.F... Compiling tce_dens_ph_offset.F... Compiling get_mo_rdm_hh.F... Compiling zvec_x_a_c_b.F... Compiling zvec_x_a_d.F... Compiling get_mo_rdm_hp.F... Compiling zvec_x_a_e_a.F... Compiling get_mo_rdm_ph.F... Compiling zvec_x_a_e_b.F... Compiling zvec_x_a_f_a.F... Compiling zvec_x_a_f_b.F... Compiling zvec_x_b_a_a.F... Compiling get_mo_rdm_pp.F... Compiling zvec_x_b_a_b.F... Compiling ao_rdm_write.F... Compiling zvec_x_b_b_a.F... Compiling tce_prop_start.F... Compiling tce_property.F... Compiling zvec_x_b_b_b.F... Compiling tce_diagnose_t1.F... Compiling zvec_x_b_c.F... Compiling tce_fourindex_driver.F... Compiling zvec_x_b_d_a.F... Compiling tce_fock_create.F... Compiling zvec_x_b_d_b.F... Compiling tce_multipole_create.F... Compiling zvec_x_b_e_a.F... Compiling tce_reference_check.F... Compiling zvec_x_b_e_b.F... Compiling tce_fourindex_cleanup.F... Compiling zvec_x_b_f.F... Compiling tce_fock_destroy.F... Compiling zvec_x_c_a.F... Compiling tce_multipole_destroy.F... Compiling zvec_x_c_b.F... Compiling tce_create_t1.F... Compiling ccsd_zvec.F... Compiling tce_create_t2.F... Compiling wdm_hh_mo_a.F... Compiling tce_create_t3.F... Compiling wdm_hh_mo_b_a_a.F... Compiling tce_create_t4.F... Compiling wdm_hh_mo_b_a_b.F... Compiling tce_create_x1.F... Compiling wdm_hh_mo_b_b_a.F... Compiling wdm_hh_mo_b_b_b.F... Compiling tce_create_x2.F... Compiling wdm_hh_mo_c_a.F... Compiling tce_create_x3.F... Compiling wdm_hh_mo_c_b_a.F... Compiling tce_create_x4.F... Compiling wdm_hh_mo_c_b_b.F... Compiling tce_create_y1.F... Compiling wdm_hh_mo_c_c_a.F... Compiling tce_create_y2.F... Compiling wdm_hh_mo_c_c_b.F... Compiling tce_create_y3.F... Compiling wdm_hh_mo_c_d.F... Compiling tce_create_y4.F... Compiling wdm_hh_mo_c_e_a.F... Compiling tce_clone_x1.F... Compiling wdm_hh_mo_c_e_b.F... Compiling tce_clone_x2.F... Compiling wdm_hh_mo_c_f_a.F... Compiling tce_clone_x3.F... Compiling wdm_hh_mo_c_f_b.F... Compiling tce_clone_x4.F... Compiling wdm_hh_mo_d.F... Compiling tce_clone_y1.F... Compiling wdm_hp_mo_a.F... Compiling tce_clone_y2.F... Compiling wdm_hp_mo_b_a_a.F... Compiling wdm_hp_mo_b_a_b.F... Compiling tce_clone_y3.F... Compiling tce_clone_y4.F... Compiling wdm_hp_mo_b_b_a.F... Compiling tce_t1_offset_new.F... Compiling wdm_hp_mo_b_b_b.F... Compiling tce_t2_offset_new.F... Compiling wdm_hp_mo_b_c.F... Compiling tce_t3_offset_new.F... Compiling wdm_hp_mo_b_d_a.F... Compiling tce_t4_offset_new.F... Compiling wdm_hp_mo_b_d_b.F... Compiling tce_x1_offset_new.F... Compiling wdm_hp_mo_b_e_a.F... Compiling wdm_hp_mo_b_e_b.F... Compiling wdm_hp_mo_b_f.F... Compiling tce_x2_offset_new.F... Compiling wdm_hp_mo_c.F... Compiling wdm_pp_mo_a.F... Compiling tce_x3_offset_new.F... Compiling tce_x4_offset_new.F... Compiling wdm_pp_mo_b_a_a.F... Compiling tce_y1_offset_new.F... Compiling wdm_pp_mo_b_a_b.F... Compiling tce_y2_offset_new.F... Compiling wdm_pp_mo_b_b_a.F... Compiling tce_y3_offset_new.F... Compiling wdm_pp_mo_b_b_b.F... Compiling wdm_pp_mo_b_c.F... Compiling tce_y4_offset_new.F... Compiling wdm_pp_mo_b_d_a.F... Compiling tce_ccsd_driver.F... Compiling wdm_pp_mo_b_d_b.F... Compiling tce_ccsdt_driver.F... Compiling wdm_pp_mo_b_e_a.F... Compiling tce_ccsdtq_driver.F... Compiling wdm_pp_mo_b_e_b.F... Compiling tce_ccsd_perturbative.F... Compiling wdm_pp_mo_b_f.F... Compiling tce_ccsd_lambda_perturbative.F... Compiling tce_grad_tidy.F... Compiling tce_ccsd_lambda_driver.F... Compiling tce_ccsd_1prdm.F... Compiling tce_ccsdt_lambda_driver.F... Compiling tce_dens_hhhh_offset.F... Compiling tce_dens_hhhp_offset.F... Compiling tce_ccsdtq_lambda_driver.F... Compiling tce_ccsd_response_driver.F... Compiling tce_dens_hhpp_offset.F... Compiling tce_ccsdt_response_driver.F... Compiling tce_dens_hphh_offset.F... Compiling tce_ccsdtq_response_driver.F... Compiling tce_dens_hphp_offset.F... Compiling tce_ccsd_symm_polar.F... Compiling tce_dens_hppp_offset.F... Compiling tce_ccsdt_symm_polar.F... Compiling tce_dens_pphh_offset.F... Compiling tce_ccsdtq_symm_polar.F... Compiling tce_dens_pphp_offset.F... Compiling tce_ccsd_lambda_response_driver.F... Compiling tce_dens_pppp_offset.F... Compiling tce_ccsd_asym_polar.F... Compiling tce_zvec_x1_offset.F... Compiling tce_ccsd_hyperpolar.F... Compiling tce_2pdm_offset.F... Compiling put_2pdm_hhhh.F... Compiling tce_ao2e_new.F... Compiling tce_mo2e_new.F... Compiling put_2pdm_hhhp.F... Compiling put_2pdm_hhpp.F... Compiling tce_tile_new.F... Compiling put_2pdm_hphh.F... tce_tile_new.F:451:0: oatiles(1)=nblocks_a Warning: 'nblocks_a' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling tce_init_new.F... Compiling put_2pdm_hphp.F... Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... tce_init_new.F:606:0: if (rohf.and.(i.eq.2)) then Warning: 'rohf' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_init_new.F:42:0: logical rohf note: 'rohf' was declared here Compiling put_2pdm_hppp.F... Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... tce_tile_new.F:750:0: oatiles(1)=nblocks_a Warning: 'nblocks_a' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... Compiling put_2pdm_pphh.F... Compiling put_2pdm_pphp.F... tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:0: if(size_4af.le.size_max2) then Warning: 'size_4af' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:96:0: integer key_4af,offset_4af,size_4af note: 'size_4af' was declared here Compiling put_2pdm_pppp.F... tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:0: if(size_4af.le.size_max2) then Warning: 'size_4af' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:96:0: integer key_4af,offset_4af,size_4af note: 'size_4af' was declared here Compiling tce_1pdm_offset.F... Compiling put_1pdm_hh.F... Compiling put_1pdm_hp.F... Compiling put_1pdm_ph.F... Compiling put_1pdm_ph_2.F... Compiling put_1pdm_pp.F... Compiling put_1pwdm_hp.F... Compiling ao_tiles.F... Compiling btrans1.F... Compiling ao_1prdm_write.F... Compiling tce_gradients_doit.F... Compiling tce_grad_force.F... Compiling tce_grad1.F... tce_grad1.F:101:0: write(LuOut,*)'' Warning: array subscript 1 is above array bounds of 'character(kind=1)[1:0]' [-Warray-bounds] Compiling tce_ao2e_disk.F... Compiling tce_mo2e_disk.F... Compiling tce_mo2e_disk_2eorb.F... Compiling tce_grad2.F... Compiling tce_mo2e_incore_2eorb.F... Compiling sym_2pdm_ao.F... Compiling tce_mo2e_incore_2eorb_split.F... Compiling btrans2.F... Compiling tce_mo2e_hybrid_2eorb_split.F... tce_mo2e_hybrid_2eorb_split.F:262:0: if(size_4af.le.size_max2) then Warning: 'size_4af' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:97:0: integer key_4af,offset_4af,size_4af note: 'size_4af' was declared here Compiling tce_mo2e_offset_intorb_hybrid.F... Compiling tce_mo2e_2emet3.F... Compiling eomccsd_energy.F... Compiling eomccsd_left.F... Compiling tce_mo2e_2emet3_n5.F... Compiling eomccsd_gradients.F... Compiling tce_mo2e_2emet4.F... Compiling eomccsd_1pdm_hh_mo.F... Compiling tce_mo2e_2emet4_n5.F... Compiling eomccsd_1pdm_pp_mo.F... Compiling get_hash_block_ma.F... Compiling tce_eomccsd_1prdm.F... Compiling ccsd_energy_loc.F... Compiling cc2_energy.F... Compiling ccsd_lambda.F... Compiling eomccsd_2pdm_hhhh_mo.F... Compiling ccsd_lr_alpha.F... Compiling ccsd_qr_beta.F... Compiling tce_dgeev.F... tce_dgeev.F:402:0: WORK( 1 ) = MAXWRK Warning: 'maxwrk' may be used uninitialized in this function [-Wmaybe-uninitialized] Compiling tce_schmidt.F... Compiling eomccsd_2pdm_hhhp_mo.F... Compiling tensor_read_write.F... Compiling tce_diis_act.F... Compiling tce_mo2e_zones_4a_disk_ga_act.F... Compiling eomccsd_2pdm_hhpp_mo.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_act.F... Compiling eomccsd_2pdm_hphh_mo.F... Compiling eomccsd_2pdm_hphp_mo.F... Compiling tce_t2a_offset.F... Compiling eomccsd_2pdm_hppp_mo.F... Compiling eomccsd_2pdm_pphh_mo.F... Compiling eomccsd_2pdm_pphp_mo.F... Compiling tce_x2a_offset.F... Compiling new_ga4ind_N5.F... new_ga4ind_N5.F:2048:39: call n4ind_transp(buf,dbl_mb(k_work1),nalength, 1 Warning: Rank mismatch in argument 'k_4a' at (1) (rank-1 and scalar) [-Wargument-mismatch] Compiling eomccsd_2pdm_pppp_mo.F... Compiling eomccsd_z1.F... Compiling new4ind_N5_osu.F... Compiling eomccsd_z2.F... Compiling tce_mo2e_zones_4a_disk_ga_N5.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... Compiling tce_eom_xguess.F... Compiling eomccsd_2pdm_pphh_zvec_mo.F... Compiling tce_eom_yguess.F... Compiling ma_transpose.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce' Compiling eomccsd_1pdm_hp_mo.F... Compiling eomccsd_1pdm_ph_mo.F... Compiling eomccsd_x1_grad.F... Compiling eomccsd_x2_grad.F... Compiling tce_eom_xdiagon_grad.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/gradients' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/gradients' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/gradients' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/gradients' Making all in ccsd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd' Compiling ccsd_e.F... Compiling ccsd_t1.F... Compiling ccsd_t2.F... Compiling cc2_t1.F... Compiling cc2_t2.F... Compiling ccsd_1prdm.F... Compiling ccsd_1prdm_hh.F... Compiling ccsd_1prdm_hp.F... Compiling ccsd_1prdm_ph.F... Compiling ccsd_1prdm_pp.F... Compiling icsd_t1.F... Compiling icsd_t2.F... Compiling ccsd_kernels.F... Compiling ccsd_t2_8.F... Compiling tce_1b_dens_print.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd' Making all in ccsd_lambda gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_lambda' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_lambda' Compiling ccsd_lambda1_1.F... Compiling ccsd_lambda1_2.F... Compiling ccsd_lambda2.F... Compiling ccsd_density1.F... Compiling ccsd_lambda1_mod.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_lambda' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_lambda' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_lambda' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_lambda' Making all in eomccsd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd' Compiling eomccsd_x1.F... Compiling eomccsd_x2.F... Compiling eomccsd_y1.F... Compiling eomccsd_y2.F... Compiling eomccsd_density1.F... Compiling eomccsd_denominator.F... Compiling cc2_x1.F... Compiling cc2_x2.F... Compiling eomccsd_1prdm.F... Compiling eomccsd_1prdm_hh.F... Compiling eomccsd_1prdm_hp.F... Compiling eomccsd_1prdm_ph.F... Compiling eomccsd_1prdm_pp.F... Compiling eomccsd_x1_old.F... Compiling eomccsd_x2_old.F... Compiling eomicsd_x1.F... Compiling eomicsd_x2.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd' Making all in ccsd_t gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_t' Compiling cr_ccsd_t.F... Compiling lr_ccsd_t.F... gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_t' Compiling ccsd_t.F... ccsd_t.F:118:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t.F:131:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive Compiling ccsd_t_doubles.F... Compiling ccsd_t_singles.F... Compiling lambda_ccsd_t.F... Compiling lambda_ccsd_t_left.F... Compiling ccsd_t_doubles_l.F... Compiling ccsd_t_singles_l.F... Compiling ccsd2_t.F... Compiling ccsd2_t_left.F... Compiling ccsd2_q.F... ccsd2_q.F:55:0: 4 t_p5b,t_p6b,t_p7b,t_p8b,1) Warning: 'k_right' is used uninitialized in this function [-Wuninitialized] Compiling ccsd2_q_left.F... Compiling ccsd2_q_right.F... Compiling ccsdt2_q.F... ccsdt2_q.F:77:0: 7 t_p5b,t_p6b,t_p7b,t_p8b,1) Warning: 'k_right' is used uninitialized in this function [-Wuninitialized] Compiling ccsdt2_q_left.F... Compiling ccsdt2_q_right.F... Compiling cr_ccsd_t_D.F... Compiling cr_ccsd_t_E.F... Compiling cr_ccsd_t_N.F... Compiling lr_ccsd_tq.F... Compiling cr_qcisd_t.F... Compiling m2_dot_m1t1.F... Compiling ccsd_t_restart.F... Compiling ccsd_t_6dts.F... ccsd_t_6dts.F:31:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:34:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive ccsd_t_6dts.F:217:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:222:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive ccsd_t_6dts.F:244:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:247:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive ccsd_t_6dts.F:252:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:254:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive ccsd_t_6dts.F:260:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:262:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive ccsd_t_6dts.F:304:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:309:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive ccsd_t_6dts.F:332:0: #else // USE_F90_ALLOCATABLE Warning: extra tokens at end of #else directive ccsd_t_6dts.F:337:0: #endif // USE_F90_ALLOCATABLE Warning: extra tokens at end of #endif directive Compiling ccsd_t_singles_l_6dts.F... Compiling ccsd_t_doubles_l_6dts.F... Compiling ccsd_t_dts_kernels_omp.F... Compiling ccsd_t_transpose.F... Compiling offl_ccsd_t_doubles_l.F... offl_ccsd_t_doubles_l.F:703:72: D deltat_mic) 1 Warning: Type mismatch in argument 'deltat' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling ccsd_t_kernels_omp.F... Compiling tce_hashnsort.F... Compiling ccsd_t_pstat.F... Compiling ccsd_t_dot.F... Compiling ccsd_t_neword.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_t' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_t' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_t' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_t' Making all in cr-eomccsd_t gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr-eomccsd_t' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr-eomccsd_t' Compiling c1_c1.F... Compiling c2_c2.F... Compiling cr_eomccsd_t.F... Compiling cr_eomccsd_t_gr.F... Compiling t2t12.F... Compiling nr0.F... Compiling c1excit2.F... Compiling c2excit2.F... Compiling q3rexpt2.F... Compiling cr_s_m3.F... Compiling cr_eomccsd_t_n2.F... Compiling cr_eomccsd_t_n2_1.F... Compiling cr_eomccsd_t_n2_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1.F... Compiling cr_eomccsd_t_n2_1_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_1.F... Compiling cr_eomccsd_t_n2_1_1_2.F... Compiling cr_eomccsd_t_n2_1_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_2_1.F... Compiling cr_eomccsd_t_n2_1_1_2_2.F... Compiling cr_eomccsd_t_n2_1_1_3.F... Compiling cr_eomccsd_t_n2_1_2.F... Compiling cr_eomccsd_t_n2_1_3.F... Compiling cr_eomccsd_t_n2_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_1.F... Compiling cr_eomccsd_t_n2_1_3_2.F... Compiling cr_eomccsd_t_n2_1_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_2_1.F... Compiling cr_eomccsd_t_n2_1_3_3.F... Compiling cr_eomccsd_t_n2_1_4.F... Compiling cr_eomccsd_t_n2_1_4_1.F... Compiling offset_cr_eomccsd_t_n2_1_4_1.F... Compiling cr_eomccsd_t_n2_1_5.F... Compiling cr_eomccsd_t_n2_1_5_1.F... Compiling offset_cr_eomccsd_t_n2_1_5_1.F... Compiling cr_eomccsd_t_n2_1_6.F... Compiling cr_eomccsd_t_n2_1_6_1.F... Compiling offset_cr_eomccsd_t_n2_1_6_1.F... Compiling cr_eomccsd_t_n2_1_7.F... Compiling cr_eomccsd_t_n2_1_7_1.F... Compiling offset_cr_eomccsd_t_n2_1_7_1.F... Compiling cr_eomccsd_t_n2_1_7_2.F... Compiling cr_eomccsd_t_n2_1_8.F... Compiling cr_eomccsd_t_n2_1_8_1.F... Compiling offset_cr_eomccsd_t_n2_1_8_1.F... Compiling cr_eomccsd_t_n2_1_8_2.F... Compiling cr_eomccsd_t_n2_1_9.F... Compiling cr_eomccsd_t_n2_2.F... Compiling cr_eomccsd_t_n2_2_1.F... Compiling offset_cr_eomccsd_t_n2_2_1.F... Compiling cr_eomccsd_t_n2_2_1_1.F... Compiling offset_cr_eomccsd_t_n2_2_1_1.F... Compiling cr_eomccsd_t_n2_2_1_2.F... Compiling cr_eomccsd_t_n2_2_1_3.F... Compiling cr_eomccsd_t_n2_2_1_4.F... Compiling cr_eomccsd_t_n2_3.F... Compiling cr_eomccsd_t_n2_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_1.F... Compiling cr_eomccsd_t_n2_3_2.F... Compiling cr_eomccsd_t_n2_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_3_2_1.F... Compiling cr_eomccsd_t_n2_3_3.F... Compiling cr_eomccsd_t_n2_3_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_3_1.F... Compiling cr_eomccsd_t_n2_3_3_2.F... Compiling cr_eomccsd_t_n2_3_4.F... Compiling cr_eomccsd_t_n2_4.F... Compiling cr_eomccsd_t_n2_4_1.F... Compiling offset_cr_eomccsd_t_n2_4_1.F... Compiling cr_eomccsd_t_n2_4_1_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_1.F... Compiling cr_eomccsd_t_n2_4_1_2.F... Compiling cr_eomccsd_t_n2_4_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_2_1.F... Compiling cr_eomccsd_t_n2_4_1_3.F... Compiling cr_eomccsd_t_n2_4_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_3_1.F... Compiling cr_eomccsd_t_n2_4_1_4.F... Compiling cr_eomccsd_t_n2_4_2.F... Compiling cr_eomccsd_t_n2_4_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2.F... Compiling cr_eomccsd_t_n2_4_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2_2.F... Compiling cr_eomccsd_t_n2_4_2_3.F... Compiling cr_eomccsd_t_n2_4_2_4.F... Compiling cr_eomccsd_t_n2_5.F... Compiling cr_eomccsd_t_n2_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_1.F... Compiling cr_eomccsd_t_n2_5_2.F... Compiling cr_eomccsd_t_n2_5_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2.F... Compiling cr_eomccsd_t_n2_5_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2_2.F... Compiling cr_eomccsd_t_n2_5_2_3.F... Compiling cr_eomccsd_t_n2_5_3.F... Compiling cr_eomccsd_t_n2_5_3_1.F... Compiling offset_cr_eomccsd_t_n2_5_3_1.F... Compiling cr_eomccsd_t_n2_5_3_2.F... Compiling cr_eomccsd_t_n2_5_4.F... Compiling cr_eomccsd_t_n2_5_4_1.F... Compiling offset_cr_eomccsd_t_n2_5_4_1.F... Compiling cr_eomccsd_t_n2_5_4_2.F... Compiling cr_eomccsd_t_n2_5_5.F... Compiling cr_eomccsd_t_n2_5_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_5_1.F... Compiling cr_eomccsd_t_n2_5_5_2.F... Compiling cr_eomccsd_t_n2_5_6.F... Compiling cr_eomccsd_t_n2_6.F... Compiling cr_eomccsd_t_n2_6_1.F... Compiling offset_cr_eomccsd_t_n2_6_1.F... Compiling cr_eomccsd_t_n2_6_2.F... Compiling cr_eomccsd_t_n2_6_3.F... Compiling cr_eomccsd_t_n2_6_3_1.F... Compiling offset_cr_eomccsd_t_n2_6_3_1.F... Compiling cr_eomccsd_t_n2_6_3_2.F... Compiling cr_eomccsd_t_n2_6_4.F... Compiling creomccsd_t_n2_mem.F... Compiling q3rexpt2_6dts.F... Compiling creomccsd_t_n2_mem_6dts.F... Compiling cr_eomccsd_t_6dts.F... Compiling cr_ccsd_t_N_6dts.F... Compiling cr_ccsd_t_E_6dts.F... Compiling cr_eomccsd_t_6dts_d4d5_parallel.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr-eomccsd_t' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr-eomccsd_t' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr-eomccsd_t' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr-eomccsd_t' Making all in lrh gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lrh' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lrh' Compiling tce_loc_j1.F... Compiling tce_loc_j2.F... tce_loc_j2.F:156:0: if (restricted.and.(spin_sum.eq.6).and.(spin_suml.eq.4)) Warning: 'spin_suml' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:47:0: integer spin_sum,spin_suml note: 'spin_suml' was declared here tce_loc_j2.F:47:0: Warning: 'spin_sum' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:103:0: ip2alpha=int_mb(k_offset+p2alpha-1)+p2 Warning: 'p2alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:48:0: integer p2alpha note: 'p2alpha' was declared here tce_loc_j2.F:159:0: 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN Warning: 'ip2alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:50:0: integer ip2alpha note: 'ip2alpha' was declared here tce_loc_j2.F:159:0: 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN Warning: 'ih4alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:51:0: integer ih4alpha note: 'ih4alpha' was declared here tce_loc_j2.F:104:0: ih4alpha=int_mb(k_offset+h4alpha-1)+h4 Warning: 'h4alpha' may be used uninitialized in this function [-Wmaybe-uninitialized] tce_loc_j2.F:49:0: integer h4alpha note: 'h4alpha' was declared here gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lrh' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lrh' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a tce_loc_j1.o tce_loc_j2.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lrh' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lrh' Making all in emb gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/emb' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/emb' Compiling c1v.F... Compiling c2vt1_s.F... Compiling emb1.F... Compiling emb2.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/emb' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/emb' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a c1v.o c2vt1_s.o emb1.o emb2.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/emb' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/emb' Making all in ccd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccd' Compiling ccd_e.F... Compiling ccd_t2.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a ccd_e.o ccd_t2.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccd' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccd' Making all in lccd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccd' Compiling lccd_e.F... Compiling lccd_t2.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a lccd_e.o lccd_t2.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccd' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccd' Making all in lccsd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccsd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccsd' Compiling lccsd_e.F... Compiling lccsd_t1.F... Compiling lccsd_t2.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccsd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccsd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a lccsd_e.o lccsd_t1.o lccsd_t2.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccsd' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/lccsd' Making all in qcisd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/qcisd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/qcisd' Compiling qcisd_e.F... Compiling qcisd_t1.F... Compiling qcisd_t2.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/qcisd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/qcisd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a qcisd_e.o qcisd_t1.o qcisd_t2.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/qcisd' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/qcisd' Making all in cc3 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cc3' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cc3' Compiling cc3_t3.F... Compiling ccsdt1b_t3.F... Compiling ccsdt2_t3.F... Compiling ccsdt3_t3.F... Compiling eomccsdt1_x3.F... Compiling eomcc3_x3.F... Compiling eomccsdt3_x3.F... Compiling cc3_lambda3.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cc3' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cc3' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cc3' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cc3' Making all in mbpt1 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt1' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt1' Compiling mbpt1_t1.F... Compiling mbpt1_t2.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt1' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt1' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a mbpt1_t1.o mbpt1_t2.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt1' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt1' Making all in mbpt2 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt2' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt2' Compiling mbpt2_e.F... Compiling mbpt2_t1.F... Compiling mbpt2_t2.F... Compiling mbpt2_t2_b.F... Compiling mbpt2_t3.F... Compiling mbpt2_t1_sd.F... Compiling mbpt2_t2_sd.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt2' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt2' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt2' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt2' Making all in mbpt3 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt3' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt3' Compiling mbpt3_e.F... Compiling mbpt3_t1.F... Compiling mbpt3_t2.F... Compiling mbpt3_t1_sd.F... Compiling mbpt3_t2_sd.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt3' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt3' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt3' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt3' Making all in mbpt4 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt4' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt4' Compiling mbpt4_e.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt4' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt4' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a mbpt4_e.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt4' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/mbpt4' Making all in cis gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cis' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cis' Compiling cis.F... Compiling cis_x1.F... Compiling cis_xdiagon.F... Compiling cis_xtidy.F... Compiling cis_xguess.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cis' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cis' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cis' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cis' Making all in cisd gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisd' Compiling cisd_e.F... Compiling cisd_c1.F... Compiling cisd_c2.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisd' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisd' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a cisd_e.o cisd_c1.o cisd_c2.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisd' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisd' Making all in cisdt gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdt' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdt' Compiling cisdt_e.F... Compiling cisdt_c1.F... Compiling cisdt_c2.F... Compiling cisdt_c3.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdt' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdt' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdt' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdt' Making all in cisdtq gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdtq' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdtq' Compiling cisdtq_e.F... Compiling cisdtq_c1.F... Compiling cisdtq_c2.F... Compiling cisdtq_c3.F... Compiling cisdtq_c4.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdtq' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdtq' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdtq' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cisdtq' Making all in ccsd_act gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_act' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_act' Compiling ccsd_ea.F... Compiling ccsd_t1a.F... Compiling ccsd_t2a.F... Compiling activity.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_act' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_act' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_act' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_act' Making all in eomccsd_act gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd_act' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd_act' Compiling eomccsd_x1a.F... Compiling eomccsd_x2a.F... Compiling q2na_hc1.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd_act' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd_act' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd_act' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsd_act' Making all in cr_eomccsd_t_act gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr_eomccsd_t_act' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr_eomccsd_t_act' Compiling cr_ccsd_t_E_act.F... Compiling cr_eomccsd_t_act.F... Compiling q3rexpt2_act.F... Compiling cr_ccsd_t_N_act.F... Compiling creomccsd_t_n2_act_mem.F... Compiling cr_eomccsd_tasim.F... Compiling cr_eomt_simac.F... Compiling ccsd_t_d_act.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr_eomccsd_t_act' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr_eomccsd_t_act' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr_eomccsd_t_act' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/cr_eomccsd_t_act' Making all in sort gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/sort' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/sort' Compiling tce_sort_4kg.c... Compiling tce_sort0.F... Compiling tce_sortacc0.f... Compiling new_sort2.F... Compiling new_sort4.F... Compiling new_sort6.F... Compiling tce_sort8.F... Compiling tce_sortacc8.F... Compiling tce_sort1.f... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/sort' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/sort' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/sort' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/sort' Making all in ducc gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ducc' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ducc' Compiling ducc.F... Compiling map_hcore.F... Compiling rot_vir.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ducc' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ducc' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a ducc.o map_hcore.o rot_vir.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ducc' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ducc' Making all in ucc4 gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ucc4' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ucc4' Compiling ucc4_e_new.F... Compiling ucc4_t1_new.F... Compiling ucc4_t2.F... Compiling ucc4_t2_t2_v_t.F... Compiling ucc4_t3.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ucc4' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ucc4' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ucc4' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ucc4' Making all in ccsdt gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt' Compiling ccsdt_e.F... Compiling ccsdt_t1.F... Compiling ccsdt_t2.F... Compiling ccsdt_t3.F... Compiling ccsdt_t1a.F... Compiling ccsdt_t2a.F... Compiling ccsdt_t3a.F... Compiling ccsdt_t3_1.F... Compiling ccsdt_t3_1_1.F... Compiling OFFSET_ccsdt_t3_1_1.F... Compiling ccsdt_t3_1_2.F... Compiling ccsdt_t3_1_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_1.F... Compiling ccsdt_t3_1_2_2.F... Compiling ccsdt_t3_1_2_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_2_1.F... Compiling ccsdt_t3_1_2_2_2.F... Compiling ccsdt_t3_1_2_3.F... Compiling ccsdt_t3_1_3.F... Compiling ccsdt_t3_1_3_1.F... Compiling OFFSET_ccsdt_t3_1_3_1.F... Compiling ccsdt_t3_1_3_2.F... Compiling ccsdt_t3_1_4.F... Compiling ccsdt_t3_1_4_1.F... Compiling OFFSET_ccsdt_t3_1_4_1.F... Compiling ccsdt_t3_1_4_2.F... Compiling ccsdt_t3_1_5.F... Compiling ccsdt_t3_1_5_1.F... Compiling OFFSET_ccsdt_t3_1_5_1.F... Compiling ccsdt_t3_1_5_2.F... Compiling ccsdt_t3_1_6.F... Compiling ccsdt_t3_1_7.F... Compiling ccsdt_t3_2.F... Compiling ccsdt_t3_2_1.F... Compiling OFFSET_ccsdt_t3_2_1.F... Compiling ccsdt_t3_2_2.F... Compiling ccsdt_t3_2_3.F... Compiling ccsdt_t3_2_3_1.F... Compiling OFFSET_ccsdt_t3_2_3_1.F... Compiling ccsdt_t3_2_3_2.F... Compiling ccsdt_t3_2_4.F... Compiling ccsdt_t3_2_5.F... Compiling ccsdt_t3_3.F... Compiling ccsdt_t3_3_1.F... Compiling OFFSET_ccsdt_t3_3_1.F... Compiling ccsdt_t3_3_2.F... Compiling ccsdt_t3_3_2_1.F... Compiling OFFSET_ccsdt_t3_3_2_1.F... Compiling ccsdt_t3_3_2_2.F... Compiling ccsdt_t3_3_3.F... Compiling ccsdt_t3_3_4.F... Compiling ccsdt_t3_4.F... Compiling ccsdt_t3_4_1.F... Compiling OFFSET_ccsdt_t3_4_1.F... Compiling ccsdt_t3_4_2.F... Compiling ccsdt_t3_4_3.F... Compiling ccsdt_t3_5.F... Compiling ccsdt_t3_5_1.F... Compiling OFFSET_ccsdt_t3_5_1.F... Compiling ccsdt_t3_5_2.F... Compiling ccsdt_t3_5_2_1.F... Compiling OFFSET_ccsdt_t3_5_2_1.F... Compiling ccsdt_t3_5_2_2.F... Compiling ccsdt_t3_5_3.F... Compiling ccsdt_t3_6.F... Compiling ccsdt_t3_6_1.F... Compiling OFFSET_ccsdt_t3_6_1.F... Compiling ccsdt_t3_6_2.F... Compiling ccsdt_t3_6_3.F... Compiling ccsdt_t3_7.F... Compiling ccsdt_t3_8.F... Compiling ccsdt_t3_8_1.F... Compiling OFFSET_ccsdt_t3_8_1.F... Compiling ccsdt_t3_8_1_1.F... Compiling OFFSET_ccsdt_t3_8_1_1.F... Compiling ccsdt_t3_8_1_2.F... Compiling ccsdt_t3_8_1_2_1.F... Compiling OFFSET_ccsdt_t3_8_1_2_1.F... Compiling ccsdt_t3_8_1_2_2.F... Compiling ccsdt_t3_8_1_3.F... Compiling ccsdt_t3_8_1_4.F... Compiling ccsdt_t3_8_2.F... Compiling ccsdt_t3_8_2_1.F... Compiling OFFSET_ccsdt_t3_8_2_1.F... Compiling ccsdt_t3_8_2_2.F... Compiling ccsdt_t3_8_3.F... Compiling ccsdt_t3_8_3_1.F... Compiling OFFSET_ccsdt_t3_8_3_1.F... Compiling ccsdt_t3_8_3_2.F... Compiling ccsdt_t3_8_4.F... Compiling ccsdt_t3_8_5.F... Compiling ccsdt_t3_8_5_1.F... Compiling OFFSET_ccsdt_t3_8_5_1.F... Compiling ccsdt_t3_9.F... Compiling ccsdt_t3_9_1.F... Compiling OFFSET_ccsdt_t3_9_1.F... Compiling ccsdt_t3a_1.F... Compiling ccsdt_t3a_1_1.F... Compiling OFFSET_ccsdt_t3a_1_1.F... Compiling ccsdt_t3a_1_2.F... Compiling ccsdt_t3a_1_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_1.F... Compiling ccsdt_t3a_1_2_2.F... Compiling ccsdt_t3a_1_2_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_2_1.F... Compiling ccsdt_t3a_1_2_2_2.F... Compiling ccsdt_t3a_1_2_3.F... Compiling ccsdt_t3a_1_3.F... Compiling ccsdt_t3a_1_3_1.F... Compiling OFFSET_ccsdt_t3a_1_3_1.F... Compiling ccsdt_t3a_1_3_2.F... Compiling ccsdt_t3a_1_4.F... Compiling ccsdt_t3a_1_4_1.F... Compiling OFFSET_ccsdt_t3a_1_4_1.F... Compiling ccsdt_t3a_1_4_2.F... Compiling ccsdt_t3a_1_5.F... Compiling ccsdt_t3a_1_5_1.F... Compiling OFFSET_ccsdt_t3a_1_5_1.F... Compiling ccsdt_t3a_1_5_2.F... Compiling ccsdt_t3a_1_6.F... Compiling ccsdt_t3a_1_7.F... Compiling ccsdt_t3a_2.F... Compiling ccsdt_t3a_2_1.F... Compiling OFFSET_ccsdt_t3a_2_1.F... Compiling ccsdt_t3a_2_2.F... Compiling ccsdt_t3a_2_3.F... Compiling ccsdt_t3a_2_3_1.F... Compiling OFFSET_ccsdt_t3a_2_3_1.F... Compiling ccsdt_t3a_2_3_2.F... Compiling ccsdt_t3a_2_4.F... Compiling ccsdt_t3a_2_5.F... Compiling ccsdt_t3a_3.F... Compiling ccsdt_t3a_3_1.F... Compiling OFFSET_ccsdt_t3a_3_1.F... Compiling ccsdt_t3a_3_2.F... Compiling ccsdt_t3a_3_2_1.F... Compiling OFFSET_ccsdt_t3a_3_2_1.F... Compiling ccsdt_t3a_3_2_2.F... Compiling ccsdt_t3a_3_3.F... Compiling ccsdt_t3a_3_4.F... Compiling ccsdt_t3a_4.F... Compiling ccsdt_t3a_4_1.F... Compiling OFFSET_ccsdt_t3a_4_1.F... Compiling ccsdt_t3a_4_2.F... Compiling ccsdt_t3a_4_3.F... Compiling ccsdt_t3a_5.F... Compiling ccsdt_t3a_5_1.F... Compiling OFFSET_ccsdt_t3a_5_1.F... Compiling ccsdt_t3a_5_2.F... Compiling ccsdt_t3a_5_2_1.F... Compiling OFFSET_ccsdt_t3a_5_2_1.F... Compiling ccsdt_t3a_5_2_2.F... Compiling ccsdt_t3a_5_3.F... Compiling ccsdt_t3a_6.F... Compiling ccsdt_t3a_6_1.F... Compiling OFFSET_ccsdt_t3a_6_1.F... Compiling ccsdt_t3a_6_2.F... Compiling ccsdt_t3a_6_3.F... Compiling ccsdt_t3a_7.F... Compiling ccsdt_t3a_8.F... Compiling ccsdt_t3a_8_1.F... Compiling OFFSET_ccsdt_t3a_8_1.F... Compiling ccsdt_t3a_8_1_1.F... Compiling OFFSET_ccsdt_t3a_8_1_1.F... Compiling ccsdt_t3a_8_1_2.F... Compiling ccsdt_t3a_8_1_2_1.F... Compiling OFFSET_ccsdt_t3a_8_1_2_1.F... Compiling ccsdt_t3a_8_1_2_2.F... Compiling ccsdt_t3a_8_1_3.F... Compiling ccsdt_t3a_8_1_4.F... Compiling ccsdt_t3a_8_2.F... Compiling ccsdt_t3a_8_2_1.F... Compiling OFFSET_ccsdt_t3a_8_2_1.F... Compiling ccsdt_t3a_8_2_2.F... Compiling ccsdt_t3a_8_3.F... Compiling ccsdt_t3a_8_3_1.F... Compiling OFFSET_ccsdt_t3a_8_3_1.F... Compiling ccsdt_t3a_8_3_2.F... Compiling ccsdt_t3a_8_4.F... Compiling ccsdt_t3a_8_5.F... Compiling ccsdt_t3a_8_5_1.F... Compiling OFFSET_ccsdt_t3a_8_5_1.F... Compiling ccsdt_t3a_9.F... Compiling ccsdt_t3a_9_1.F... Compiling OFFSET_ccsdt_t3a_9_1.F... Compiling acolo.F... Compiling acolo_o.F... Compiling acolo_o_1p.F... Compiling acolo_o_2p.F... Compiling acolo_1p_2h.F... Compiling acolo_2h.F... Compiling acolo_1h.F... Compiling acolo_1p_1h.F... Compiling acolo_2p_1h.F... Compiling acolo_1p.F... Compiling acolo_1a_2h.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt' Making all in ccsdt_lambda gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt_lambda' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt_lambda' Compiling ccsdt_lambda3.F... Compiling ccsdt_density1.F... Compiling ccsdt_lambda1.F... Compiling ccsdt_lambda1_1.F... Compiling ccsdt_lambda1_2.F... Compiling ccsdt_lambda1_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_1.F... Compiling ccsdt_lambda1_2_2.F... Compiling ccsdt_lambda1_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_2_1.F... Compiling ccsdt_lambda1_2_2_2.F... Compiling ccsdt_lambda1_2_3.F... Compiling ccsdt_lambda1_2_4.F... Compiling ccsdt_lambda1_3.F... Compiling ccsdt_lambda1_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_1.F... Compiling ccsdt_lambda1_3_2.F... Compiling ccsdt_lambda1_3_3.F... Compiling ccsdt_lambda1_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_3_1.F... Compiling ccsdt_lambda1_4.F... Compiling ccsdt_lambda1_5.F... Compiling ccsdt_lambda1_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_1.F... Compiling ccsdt_lambda1_5_2.F... Compiling ccsdt_lambda1_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_1.F... Compiling ccsdt_lambda1_5_2_2.F... Compiling ccsdt_lambda1_5_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_2_1.F... Compiling ccsdt_lambda1_5_2_2_2.F... Compiling ccsdt_lambda1_5_2_3.F... Compiling ccsdt_lambda1_5_2_4.F... Compiling ccsdt_lambda1_5_3.F... Compiling ccsdt_lambda1_5_3_1.F... Compiling OFFSET_ccsdt_lambda1_5_3_1.F... Compiling ccsdt_lambda1_5_3_2.F... Compiling ccsdt_lambda1_5_4.F... Compiling ccsdt_lambda1_5_5.F... Compiling ccsdt_lambda1_5_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_5_1.F... Compiling ccsdt_lambda1_5_5_2.F... Compiling ccsdt_lambda1_5_6.F... Compiling ccsdt_lambda1_5_6_1.F... Compiling OFFSET_ccsdt_lambda1_5_6_1.F... Compiling ccsdt_lambda1_5_6_2.F... Compiling ccsdt_lambda1_5_7.F... Compiling ccsdt_lambda1_5_8.F... Compiling ccsdt_lambda1_6.F... Compiling ccsdt_lambda1_6_1.F... Compiling OFFSET_ccsdt_lambda1_6_1.F... Compiling ccsdt_lambda1_6_2.F... Compiling ccsdt_lambda1_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_1.F... Compiling ccsdt_lambda1_6_2_2.F... Compiling ccsdt_lambda1_6_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_2_1.F... Compiling ccsdt_lambda1_6_2_2_2.F... Compiling ccsdt_lambda1_6_2_3.F... Compiling ccsdt_lambda1_6_3.F... Compiling ccsdt_lambda1_6_3_1.F... Compiling OFFSET_ccsdt_lambda1_6_3_1.F... Compiling ccsdt_lambda1_6_3_2.F... Compiling ccsdt_lambda1_6_4.F... Compiling ccsdt_lambda1_6_4_1.F... Compiling OFFSET_ccsdt_lambda1_6_4_1.F... Compiling ccsdt_lambda1_6_4_2.F... Compiling ccsdt_lambda1_6_5.F... Compiling ccsdt_lambda1_6_5_1.F... Compiling OFFSET_ccsdt_lambda1_6_5_1.F... Compiling ccsdt_lambda1_6_5_2.F... Compiling ccsdt_lambda1_6_6.F... Compiling ccsdt_lambda1_6_7.F... Compiling ccsdt_lambda1_7.F... Compiling ccsdt_lambda1_7_1.F... Compiling OFFSET_ccsdt_lambda1_7_1.F... Compiling ccsdt_lambda1_7_2.F... Compiling ccsdt_lambda1_8.F... Compiling ccsdt_lambda1_8_1.F... Compiling OFFSET_ccsdt_lambda1_8_1.F... Compiling ccsdt_lambda1_8_2.F... Compiling ccsdt_lambda1_8_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_1.F... Compiling ccsdt_lambda1_8_2_2.F... Compiling ccsdt_lambda1_8_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_3.F... Compiling ccsdt_lambda1_8_2_3.F... Compiling ccsdt_lambda1_8_2_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_3_1.F... Compiling ccsdt_lambda1_8_2_3_2.F... Compiling ccsdt_lambda1_8_2_4.F... Compiling ccsdt_lambda1_8_2_5.F... Compiling ccsdt_lambda1_8_2_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_5_1.F... Compiling ccsdt_lambda1_8_3.F... Compiling ccsdt_lambda1_8_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_3_1.F... Compiling ccsdt_lambda1_8_3_2.F... Compiling ccsdt_lambda1_8_4.F... Compiling ccsdt_lambda1_8_4_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_1.F... Compiling ccsdt_lambda1_8_4_2.F... Compiling ccsdt_lambda1_8_4_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_2_1.F... Compiling ccsdt_lambda1_8_5.F... Compiling ccsdt_lambda1_8_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_1.F... Compiling ccsdt_lambda1_8_5_2.F... Compiling ccsdt_lambda1_8_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_2_1.F... Compiling ccsdt_lambda1_8_6.F... Compiling ccsdt_lambda1_8_6_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_1.F... Compiling ccsdt_lambda1_8_6_2.F... Compiling ccsdt_lambda1_8_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_2_1.F... Compiling ccsdt_lambda1_8_6_2_2.F... Compiling ccsdt_lambda1_8_6_3.F... Compiling ccsdt_lambda1_8_7.F... Compiling ccsdt_lambda1_8_7_1.F... Compiling OFFSET_ccsdt_lambda1_8_7_1.F... Compiling ccsdt_lambda1_8_7_2.F... Compiling ccsdt_lambda1_8_7_3.F... Compiling ccsdt_lambda1_8_8.F... Compiling ccsdt_lambda1_8_9.F... Compiling ccsdt_lambda1_8_9_1.F... Compiling OFFSET_ccsdt_lambda1_8_9_1.F... Compiling ccsdt_lambda1_8_9_2.F... Compiling ccsdt_lambda1_8_10.F... Compiling ccsdt_lambda1_8_10_1.F... Compiling OFFSET_ccsdt_lambda1_8_10_1.F... Compiling ccsdt_lambda1_8_10_2.F... Compiling ccsdt_lambda1_8_11.F... Compiling ccsdt_lambda1_8_12.F... Compiling ccsdt_lambda1_8_12_1.F... Compiling OFFSET_ccsdt_lambda1_8_12_1.F... Compiling ccsdt_lambda1_8_12_2.F... Compiling ccsdt_lambda1_8_12_3.F... Compiling ccsdt_lambda1_8_13.F... Compiling ccsdt_lambda1_8_13_1.F... Compiling OFFSET_ccsdt_lambda1_8_13_1.F... Compiling ccsdt_lambda1_8_13_2.F... Compiling ccsdt_lambda1_8_13_3.F... Compiling ccsdt_lambda1_8_14.F... Compiling ccsdt_lambda1_8_14_1.F... Compiling OFFSET_ccsdt_lambda1_8_14_1.F... Compiling ccsdt_lambda1_8_14_2.F... Compiling ccsdt_lambda1_9.F... Compiling ccsdt_lambda1_9_1.F... Compiling OFFSET_ccsdt_lambda1_9_1.F... Compiling ccsdt_lambda1_9_2.F... Compiling ccsdt_lambda1_9_3.F... Compiling ccsdt_lambda1_9_4.F... Compiling ccsdt_lambda1_9_4_1.F... Compiling OFFSET_ccsdt_lambda1_9_4_1.F... Compiling ccsdt_lambda1_9_4_2.F... Compiling ccsdt_lambda1_9_4_3.F... Compiling ccsdt_lambda1_9_5.F... Compiling ccsdt_lambda1_9_5_1.F... Compiling OFFSET_ccsdt_lambda1_9_5_1.F... Compiling ccsdt_lambda1_9_5_2.F... Compiling ccsdt_lambda1_9_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_9_5_2_1.F... Compiling ccsdt_lambda1_9_5_2_2.F... Compiling ccsdt_lambda1_9_6.F... Compiling ccsdt_lambda1_9_6_1.F... Compiling OFFSET_ccsdt_lambda1_9_6_1.F... Compiling ccsdt_lambda1_10.F... Compiling ccsdt_lambda1_10_1.F... Compiling OFFSET_ccsdt_lambda1_10_1.F... Compiling ccsdt_lambda1_10_2.F... Compiling ccsdt_lambda1_10_3.F... Compiling ccsdt_lambda1_11.F... Compiling ccsdt_lambda1_11_1.F... Compiling OFFSET_ccsdt_lambda1_11_1.F... Compiling ccsdt_lambda1_11_2.F... Compiling ccsdt_lambda1_11_3.F... Compiling ccsdt_lambda1_12.F... Compiling ccsdt_lambda1_12_1.F... Compiling OFFSET_ccsdt_lambda1_12_1.F... Compiling ccsdt_lambda1_12_2.F... Compiling ccsdt_lambda1_12_3.F... Compiling ccsdt_lambda1_13.F... Compiling ccsdt_lambda1_13_1.F... Compiling OFFSET_ccsdt_lambda1_13_1.F... Compiling ccsdt_lambda1_13_2.F... Compiling ccsdt_lambda1_14.F... Compiling ccsdt_lambda1_14_1.F... Compiling OFFSET_ccsdt_lambda1_14_1.F... Compiling ccsdt_lambda1_14_2.F... Compiling ccsdt_lambda1_14_3.F... Compiling ccsdt_lambda1_14_3_1.F... Compiling OFFSET_ccsdt_lambda1_14_3_1.F... Compiling ccsdt_lambda1_14_3_2.F... Compiling ccsdt_lambda1_14_3_3.F... Compiling ccsdt_lambda1_14_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_14_3_3_1.F... Compiling ccsdt_lambda1_14_3_3_2.F... Compiling ccsdt_lambda1_14_4.F... Compiling ccsdt_lambda1_14_4_1.F... Compiling OFFSET_ccsdt_lambda1_14_4_1.F... Compiling ccsdt_lambda1_14_5.F... Compiling ccsdt_lambda1_14_5_1.F... Compiling OFFSET_ccsdt_lambda1_14_5_1.F... Compiling ccsdt_lambda1_14_5_2.F... Compiling ccsdt_lambda1_14_6.F... Compiling ccsdt_lambda1_14_6_1.F... Compiling OFFSET_ccsdt_lambda1_14_6_1.F... Compiling ccsdt_lambda1_14_7.F... Compiling ccsdt_lambda1_14_7_1.F... Compiling OFFSET_ccsdt_lambda1_14_7_1.F... 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Compiling OFFSET_ccsdt_lambda2_26_2_1_1.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt_lambda' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt_lambda' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt_lambda' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsdt_lambda' Making all in eomccsdt gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsdt' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsdt' Compiling eomccsdt_x1.F... Compiling eomccsdt_x2.F... Compiling eomccsdt_y3.F... Compiling eomccsdt_density1.F... Compiling eomccsdt_denominator.F... Compiling eomccsdt_x1a.F... Compiling eomccsdt_x2a.F... Compiling eomccsdt_density1_1_1.F... Compiling eomccsdt_density1_1_2.F... Compiling eomccsdt_density1_1_3.F... Compiling eomccsdt_density1_1.F... Compiling eomccsdt_density1_2_1.F... Compiling eomccsdt_density1_2_2_1.F... Compiling eomccsdt_density1_2_2.F... Compiling eomccsdt_density1_2.F... Compiling eomccsdt_density1_3_1.F... Compiling eomccsdt_density1_3_2.F... Compiling eomccsdt_density1_3_3.F... Compiling eomccsdt_density1_3_4_1.F... Compiling eomccsdt_density1_3_4_2.F... Compiling eomccsdt_density1_3_4_3.F... Compiling eomccsdt_density1_3_4.F... Compiling eomccsdt_density1_3_5_1.F... Compiling eomccsdt_density1_3_5_2.F... Compiling eomccsdt_density1_3_5.F... Compiling eomccsdt_density1_3_6_1.F... Compiling eomccsdt_density1_3_6.F... Compiling eomccsdt_density1_3.F... Compiling eomccsdt_density1_4_1.F... Compiling eomccsdt_density1_4_2_1.F... Compiling eomccsdt_density1_4_2.F... Compiling eomccsdt_density1_4.F... Compiling eomccsdt_density1_5_10_1.F... Compiling eomccsdt_density1_5_10_2_1.F... Compiling eomccsdt_density1_5_10_2_2_1.F... Compiling eomccsdt_density1_5_10_2_2_2.F... Compiling eomccsdt_density1_5_10_2_2.F... Compiling eomccsdt_density1_5_10_2.F... Compiling eomccsdt_density1_5_10_3_1.F... Compiling eomccsdt_density1_5_10_3.F... Compiling eomccsdt_density1_5_10.F... Compiling eomccsdt_density1_5_11_1.F... Compiling eomccsdt_density1_5_11.F... Compiling eomccsdt_density1_5_12_1.F... Compiling eomccsdt_density1_5_12.F... Compiling eomccsdt_density1_5_13_1_1.F... Compiling eomccsdt_density1_5_13_1.F... Compiling eomccsdt_density1_5_13.F... Compiling eomccsdt_density1_5_1.F... Compiling eomccsdt_density1_5_2.F... Compiling eomccsdt_density1_5_3_1.F... Compiling eomccsdt_density1_5_3_2.F... Compiling eomccsdt_density1_5_3_3.F... Compiling eomccsdt_density1_5_3_4_1.F... Compiling eomccsdt_density1_5_3_4_2.F... Compiling eomccsdt_density1_5_3_4_3.F... Compiling eomccsdt_density1_5_3_4.F... Compiling eomccsdt_density1_5_3_5_1.F... Compiling eomccsdt_density1_5_3_5_2.F... Compiling eomccsdt_density1_5_3_5.F... Compiling eomccsdt_density1_5_3_6_1.F... Compiling eomccsdt_density1_5_3_6.F... Compiling eomccsdt_density1_5_3.F... Compiling eomccsdt_density1_5_4_1.F... Compiling eomccsdt_density1_5_4_2.F... Compiling eomccsdt_density1_5_4_3.F... Compiling eomccsdt_density1_5_4.F... Compiling eomccsdt_density1_5_5_1.F... Compiling eomccsdt_density1_5_5_2.F... Compiling eomccsdt_density1_5_5_3.F... Compiling eomccsdt_density1_5_5.F... Compiling eomccsdt_density1_5_6_1.F... Compiling eomccsdt_density1_5_6_2.F... Compiling eomccsdt_density1_5_6.F... Compiling eomccsdt_density1_5_7_1.F... Compiling eomccsdt_density1_5_7.F... Compiling eomccsdt_density1_5_8_1.F... Compiling eomccsdt_density1_5_8_2.F... Compiling eomccsdt_density1_5_8_3.F... Compiling eomccsdt_density1_5_8.F... Compiling eomccsdt_density1_5_9_1.F... Compiling eomccsdt_density1_5_9_2.F... Compiling eomccsdt_density1_5_9.F... Compiling eomccsdt_density1_5.F... Compiling eomccsdt_density1_6_1.F... Compiling eomccsdt_density1_6_2.F... Compiling eomccsdt_density1_6_3_1.F... Compiling eomccsdt_density1_6_3_2.F... Compiling eomccsdt_density1_6_3.F... Compiling eomccsdt_density1_6_4_1.F... Compiling eomccsdt_density1_6_4_2.F... Compiling eomccsdt_density1_6_4.F... Compiling eomccsdt_density1_6_5_1.F... Compiling eomccsdt_density1_6_5.F... Compiling eomccsdt_density1_6.F... Compiling eomccsdt_x2a_all12.F... Compiling eomccsdt_x2a_all15.F... Compiling eomccsdt_x2a_all18.F... Compiling eomccsdt_x2a_all3.F... Compiling eomccsdt_x2a_all6.F... Compiling eomccsdt_x2a_all9.F... Compiling eomccsdt_x2_all12.F... Compiling eomccsdt_x2_all15.F... Compiling eomccsdt_x2_all18.F... Compiling eomccsdt_x2_all3.F... Compiling eomccsdt_x2_all6.F... Compiling eomccsdt_x2_all9.F... Compiling eomccsdt_x3a_all12.F... Compiling eomccsdt_x3a_all15.F... Compiling eomccsdt_x3a_all17.F... Compiling eomccsdt_x3a_all3.F... Compiling eomccsdt_x3a_all6.F... Compiling eomccsdt_x3a_all9.F... Compiling eomccsdt_x3a.F... Compiling eomccsdt_x3_all12.F... Compiling eomccsdt_x3_all15.F... Compiling eomccsdt_x3_all17.F... Compiling eomccsdt_x3_all3.F... Compiling eomccsdt_x3_all6.F... Compiling eomccsdt_x3_all9.F... Compiling eomccsdt_x3.F... Compiling eomccsdt_y1_all12.F... Compiling eomccsdt_y1_all15.F... Compiling eomccsdt_y1_all18.F... Compiling eomccsdt_y1_all20.F... Compiling eomccsdt_y1_all3.F... Compiling eomccsdt_y1_all6.F... Compiling eomccsdt_y1_all9.F... Compiling eomccsdt_y1.F... Compiling eomccsdt_y2_all12.F... Compiling eomccsdt_y2_all15.F... Compiling eomccsdt_y2_all18.F... Compiling eomccsdt_y2_all21.F... Compiling eomccsdt_y2_all24.F... Compiling eomccsdt_y2_all25.F... Compiling eomccsdt_y2_all3.F... Compiling eomccsdt_y2_all6.F... Compiling eomccsdt_y2_all9.F... Compiling eomccsdt_y2.F... Compiling OFFSET_eomccsdt_1.F... Compiling OFFSET_eomccsdt_2.F... Compiling OFFSET_eomccsdt_3.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsdt' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsdt' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsdt' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/eomccsdt' Making all in ccsd_alpha gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_alpha' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_alpha' Compiling alpha_1_1_1.F... Compiling alpha_1_1_2.F... Compiling alpha_1_1_3_1.F... Compiling alpha_1_1_3_2.F... Compiling alpha_1_1_3.F... Compiling alpha_1_1_4_1.F... Compiling alpha_1_1_4_2.F... Compiling alpha_1_1_4.F... Compiling alpha_1_1_5_1.F... Compiling alpha_1_1_5.F... Compiling alpha_1_1_6_1.F... Compiling alpha_1_1_6.F... Compiling alpha_1_1.F... Compiling alpha_1_2_1.F... Compiling alpha_1_2_2.F... Compiling alpha_1_2.F... Compiling alpha_1_3_1.F... Compiling alpha_1_3.F... Compiling alpha_1_4_1.F... Compiling alpha_1_4.F... Compiling alpha_1.F... Compiling alpha_2_1_1.F... Compiling alpha_2_1.F... Compiling alpha_2_2_1_1.F... Compiling alpha_2_2_1_2.F... Compiling alpha_2_2_1.F... Compiling alpha_2_2_2_1.F... Compiling alpha_2_2_2_2.F... Compiling alpha_2_2_2.F... Compiling alpha_2_2_3_1.F... Compiling alpha_2_2_3.F... Compiling alpha_2_2_4_1.F... Compiling alpha_2_2_4.F... Compiling alpha_2_2.F... Compiling alpha_2_3_1_1.F... Compiling alpha_2_3_1_2.F... Compiling alpha_2_3_1_3_1.F... Compiling alpha_2_3_1_3.F... Compiling alpha_2_3_1_4_1.F... Compiling alpha_2_3_1_4.F... Compiling alpha_2_3_1.F... Compiling alpha_2_3_2_1.F... Compiling alpha_2_3_2_2.F... Compiling alpha_2_3_2_3_1.F... Compiling alpha_2_3_2_3.F... Compiling alpha_2_3_2_4_1.F... Compiling alpha_2_3_2_4.F... Compiling alpha_2_3_2.F... Compiling alpha_2_3_3_1.F... Compiling alpha_2_3_3.F... Compiling alpha_2_3_4_1.F... Compiling alpha_2_3_4.F... Compiling alpha_2_3_5_1.F... Compiling alpha_2_3_5.F... Compiling alpha_2_3_6_1.F... Compiling alpha_2_3_6.F... Compiling alpha_2_3_7_1.F... Compiling alpha_2_3_7.F... Compiling alpha_2_3_8_1.F... Compiling alpha_2_3_8.F... Compiling alpha_2_3_9_1_1.F... Compiling alpha_2_3_9_1.F... Compiling alpha_2_3_9_2_1.F... Compiling alpha_2_3_9_2.F... Compiling alpha_2_3_9.F... Compiling alpha_2_3.F... Compiling alpha_2_4_1_1.F... Compiling alpha_2_4_1.F... Compiling alpha_2_4.F... Compiling alpha_2_5_10_1_1.F... Compiling alpha_2_5_10_1.F... Compiling alpha_2_5_10_2_1.F... Compiling alpha_2_5_10_2.F... Compiling alpha_2_5_10_3_1.F... Compiling alpha_2_5_10_3.F... Compiling alpha_2_5_10_4_1.F... Compiling alpha_2_5_10_4.F... Compiling alpha_2_5_10_5_1.F... Compiling alpha_2_5_10_5.F... Compiling alpha_2_5_10_6_1.F... Compiling alpha_2_5_10_6.F... Compiling alpha_2_5_10_7_1.F... Compiling alpha_2_5_10_7.F... Compiling alpha_2_5_10_8_1_1.F... Compiling alpha_2_5_10_8_1.F... Compiling alpha_2_5_10_8.F... Compiling alpha_2_5_10.F... Compiling alpha_2_5_11_1_1.F... Compiling alpha_2_5_11_1.F... Compiling alpha_2_5_1_1.F... Compiling alpha_2_5_11.F... Compiling alpha_2_5_12_1_1.F... Compiling alpha_2_5_12_1.F... Compiling alpha_2_5_1_2.F... Compiling alpha_2_5_12.F... Compiling alpha_2_5_13_1_1.F... Compiling alpha_2_5_1_3_1.F... Compiling alpha_2_5_13_1.F... Compiling alpha_2_5_13_2_1.F... Compiling alpha_2_5_13_2.F... Compiling alpha_2_5_1_3.F... Compiling alpha_2_5_13.F... Compiling alpha_2_5_14_1_1.F... Compiling alpha_2_5_14_1.F... Compiling alpha_2_5_14_2_1.F... Compiling alpha_2_5_14_2.F... Compiling alpha_2_5_14.F... Compiling alpha_2_5_1.F... Compiling alpha_2_5_2_1.F... Compiling alpha_2_5_2.F... Compiling alpha_2_5_3_1.F... Compiling alpha_2_5_3_2.F... Compiling alpha_2_5_3.F... Compiling alpha_2_5_4_1.F... Compiling alpha_2_5_4_2_1.F... Compiling alpha_2_5_4_2.F... Compiling alpha_2_5_4.F... Compiling alpha_2_5_5_1.F... Compiling alpha_2_5_5_2.F... Compiling alpha_2_5_5.F... Compiling alpha_2_5_6_1.F... Compiling alpha_2_5_6.F... Compiling alpha_2_5_7_1.F... Compiling alpha_2_5_7.F... Compiling alpha_2_5_8_1.F... Compiling alpha_2_5_8.F... Compiling alpha_2_5_9_1.F... Compiling alpha_2_5_9.F... Compiling alpha_2_5.F... Compiling alpha_2_6_1_1.F... Compiling alpha_2_6_1.F... Compiling alpha_2_6.F... Compiling alpha_2_7_1_1.F... Compiling alpha_2_7_1_2_1.F... Compiling alpha_2_7_1_2.F... Compiling alpha_2_7_1.F... Compiling alpha_2_7_2_1.F... Compiling alpha_2_7_2.F... Compiling alpha_2_7_3_1.F... Compiling alpha_2_7_3.F... Compiling alpha_2_7_4_1.F... Compiling alpha_2_7_4_2_1.F... Compiling alpha_2_7_4_2.F... Compiling alpha_2_7_4.F... Compiling alpha_2_7_5_1.F... Compiling alpha_2_7_5.F... Compiling alpha_2_7_6_1.F... Compiling alpha_2_7_6.F... Compiling alpha_2_7_7_1_1.F... Compiling alpha_2_7_7_1.F... Compiling alpha_2_7_7.F... Compiling alpha_2_7.F... Compiling alpha_2_8_1_1.F... Compiling alpha_2_8_1.F... Compiling alpha_2_8_2_1.F... Compiling alpha_2_8_2.F... Compiling alpha_2_8_3_1.F... Compiling alpha_2_8_3.F... Compiling alpha_2_8_4_1_1.F... Compiling alpha_2_8_4_1_2_1.F... Compiling alpha_2_8_4_1_2.F... Compiling alpha_2_8_4_1.F... Compiling alpha_2_8_4_2_1.F... Compiling alpha_2_8_4_2.F... Compiling alpha_2_8_4_3_1.F... Compiling alpha_2_8_4_3_2_1.F... Compiling alpha_2_8_4_3_2.F... Compiling alpha_2_8_4_3.F... Compiling alpha_2_8_4_4_1.F... Compiling alpha_2_8_4_4.F... Compiling alpha_2_8_4_5_1_1.F... Compiling alpha_2_8_4_5_1.F... Compiling alpha_2_8_4_5.F... Compiling alpha_2_8_4.F... Compiling alpha_2_8_5_1_1.F... Compiling alpha_2_8_5_1.F... Compiling alpha_2_8_5_2_1.F... Compiling alpha_2_8_5_2.F... Compiling alpha_2_8_5.F... Compiling alpha_2_8_6_1_1.F... Compiling alpha_2_8_6_1.F... Compiling alpha_2_8_6_2_1.F... Compiling alpha_2_8_6_2.F... Compiling alpha_2_8_6_3_1.F... Compiling alpha_2_8_6_3.F... Compiling alpha_2_8_6_4_1.F... Compiling alpha_2_8_6_4.F... Compiling alpha_2_8_6.F... Compiling alpha_2_8_7_1_1.F... Compiling alpha_2_8_7_1.F... Compiling alpha_2_8_7.F... Compiling alpha_2_8_8_1_1.F... Compiling alpha_2_8_8_1.F... Compiling alpha_2_8_8.F... Compiling alpha_2_8.F... Compiling alpha_2.F... Compiling dip_r_1_1.F... Compiling dip_r_1_2.F... Compiling dip_r_1.F... Compiling dip_r_2.F... Compiling dip_r.F... Compiling offset_alpha_1_1_1.F... Compiling offset_alpha_1_1_3_1.F... Compiling offset_alpha_1_1_4_1.F... Compiling offset_alpha_1_1_5_1.F... Compiling offset_alpha_1_1_6_1.F... Compiling offset_alpha_1_2_1.F... Compiling offset_alpha_1_3_1.F... Compiling offset_alpha_1_4_1.F... Compiling offset_alpha_2_1_1.F... Compiling offset_alpha_2_2_1_1.F... Compiling offset_alpha_2_2_1.F... Compiling offset_alpha_2_2_2_1.F... Compiling offset_alpha_2_2_3_1.F... Compiling offset_alpha_2_2_4_1.F... Compiling offset_alpha_2_3_1_1.F... Compiling offset_alpha_2_3_1_3_1.F... Compiling offset_alpha_2_3_1_4_1.F... Compiling offset_alpha_2_3_1.F... Compiling offset_alpha_2_3_2_1.F... Compiling offset_alpha_2_3_2_3_1.F... Compiling offset_alpha_2_3_2_4_1.F... Compiling offset_alpha_2_3_3_1.F... Compiling offset_alpha_2_3_4_1.F... Compiling offset_alpha_2_3_5_1.F... Compiling offset_alpha_2_3_6_1.F... Compiling offset_alpha_2_3_7_1.F... Compiling offset_alpha_2_3_8_1.F... Compiling offset_alpha_2_3_9_1_1.F... Compiling offset_alpha_2_3_9_1.F... Compiling offset_alpha_2_3_9_2_1.F... Compiling offset_alpha_2_4_1_1.F... Compiling offset_alpha_2_4_1.F... Compiling offset_alpha_2_5_10_1_1.F... Compiling offset_alpha_2_5_10_1.F... Compiling offset_alpha_2_5_10_2_1.F... Compiling offset_alpha_2_5_10_3_1.F... Compiling offset_alpha_2_5_10_4_1.F... Compiling offset_alpha_2_5_10_5_1.F... Compiling offset_alpha_2_5_10_6_1.F... Compiling offset_alpha_2_5_10_7_1.F... Compiling offset_alpha_2_5_10_8_1_1.F... Compiling offset_alpha_2_5_10_8_1.F... Compiling offset_alpha_2_5_11_1_1.F... Compiling offset_alpha_2_5_11_1.F... Compiling offset_alpha_2_5_1_1.F... Compiling offset_alpha_2_5_12_1_1.F... Compiling offset_alpha_2_5_12_1.F... Compiling offset_alpha_2_5_13_1_1.F... Compiling offset_alpha_2_5_1_3_1.F... Compiling offset_alpha_2_5_13_1.F... Compiling offset_alpha_2_5_13_2_1.F... Compiling offset_alpha_2_5_14_1_1.F... Compiling offset_alpha_2_5_14_1.F... Compiling offset_alpha_2_5_14_2_1.F... Compiling offset_alpha_2_5_1.F... Compiling offset_alpha_2_5_2_1.F... Compiling offset_alpha_2_5_3_1.F... Compiling offset_alpha_2_5_4_1.F... Compiling offset_alpha_2_5_4_2_1.F... Compiling offset_alpha_2_5_5_1.F... Compiling offset_alpha_2_5_6_1.F... Compiling offset_alpha_2_5_7_1.F... Compiling offset_alpha_2_5_8_1.F... Compiling offset_alpha_2_5_9_1.F... Compiling offset_alpha_2_6_1_1.F... Compiling offset_alpha_2_6_1.F... Compiling offset_alpha_2_7_1_1.F... Compiling offset_alpha_2_7_1_2_1.F... Compiling offset_alpha_2_7_1.F... Compiling offset_alpha_2_7_2_1.F... Compiling offset_alpha_2_7_3_1.F... Compiling offset_alpha_2_7_4_1.F... Compiling offset_alpha_2_7_4_2_1.F... Compiling offset_alpha_2_7_5_1.F... Compiling offset_alpha_2_7_6_1.F... Compiling offset_alpha_2_7_7_1_1.F... Compiling offset_alpha_2_7_7_1.F... Compiling offset_alpha_2_8_1_1.F... Compiling offset_alpha_2_8_1.F... Compiling offset_alpha_2_8_2_1.F... Compiling offset_alpha_2_8_3_1.F... Compiling offset_alpha_2_8_4_1_1.F... Compiling offset_alpha_2_8_4_1_2_1.F... Compiling offset_alpha_2_8_4_1.F... Compiling offset_alpha_2_8_4_2_1.F... Compiling offset_alpha_2_8_4_3_1.F... Compiling offset_alpha_2_8_4_3_2_1.F... Compiling offset_alpha_2_8_4_4_1.F... Compiling offset_alpha_2_8_4_5_1_1.F... Compiling offset_alpha_2_8_4_5_1.F... Compiling offset_alpha_2_8_5_1_1.F... Compiling offset_alpha_2_8_5_1.F... Compiling offset_alpha_2_8_5_2_1.F... Compiling offset_alpha_2_8_6_1_1.F... Compiling offset_alpha_2_8_6_1.F... Compiling offset_alpha_2_8_6_2_1.F... Compiling offset_alpha_2_8_6_3_1.F... Compiling offset_alpha_2_8_6_4_1.F... Compiling offset_alpha_2_8_7_1_1.F... Compiling offset_alpha_2_8_7_1.F... Compiling offset_alpha_2_8_8_1_1.F... Compiling offset_alpha_2_8_8_1.F... Compiling offset_dip_r_1_1.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_alpha' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_alpha' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_alpha' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_alpha' Making all in ccsd_beta gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_beta' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_beta' Compiling beta_1_all.F... Compiling beta_2_all.F... Compiling beta_3_all.F... Compiling beta_4_all.F... Compiling beta_all_offsets.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_beta' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_beta' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_beta' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_beta' Making all in ccsd_yr gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_yr' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_yr' Compiling ccsd_y_o1.F... Compiling ccsd_y_o2.F... Compiling ccsd_yr1.F... Compiling ccsd_yr2.F... Compiling ccsd_y_tr1.F... Compiling ccsd_y_tr2.F... Compiling alpha_2_yr.F... Compiling ccsd_lr_d1_hh.F... Compiling ccsd_lr_d1_ph.F... Compiling ccsd_lr_d1_hp.F... Compiling ccsd_lr_d1_pp.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_yr' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_yr' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_yr' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/ccsd_yr' Making all in response gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/response' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/response' Compiling ccsd_o1.F... Compiling ccsd_o2.F... Compiling eomccsd_o1.F... Compiling eomccsd_o2.F... Compiling ccsdt_o1.F... Compiling ccsdt_o2.F... Compiling ccsdt_o3.F... Compiling ccsdtq_o1.F... Compiling ccsdtq_o2.F... Compiling ccsdtq_o3.F... Compiling ccsdtq_o4.F... gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/response' gmake[5]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/response' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[5]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/response' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce/response' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libtce.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/tce' Making libraries in bq gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/bq' Making libraries in mm gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mm' Compiling mm_input.F... Compiling mm_data.F... Compiling mm_coords.F... Compiling mm_vdw.F... Compiling mm_bond.F... Compiling mm_bond_coords.F... mm_bond.F:1708:61: dflim = cos(phas(n))*kphi(n)*(peri(n)-gmul(inc)+gmul(inc)*cphi) 1 Warning: Legacy Extension: REAL array index at (1) mm_bond.F:1708:51: dflim = cos(phas(n))*kphi(n)*(peri(n)-gmul(inc)+gmul(inc)*cphi) 1 Warning: Legacy Extension: REAL array index at (1) mm_bond.F:1805:72: & dbl_mb(i_phas),edih) 1 Warning: Type mismatch in argument 'nbtot' at (1); passed REAL(8) to INTEGER(8) [-Wargument-mismatch] Compiling mm_link.F... Compiling mm_geom.F... Compiling mm_vdw_coords.F... Compiling mm_bq.F... Compiling mm_neb.F... Compiling mm_cons.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mm' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmm.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmm.a mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmm.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmm.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libmm.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mm' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/mm' Making libraries in cons gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/cons' Making libraries in perfm gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' gmake[4]: '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libperfm.a' is up to date. gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/perfm' Making libraries in dntmc gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dntmc' Compiling dntmc_input.F... Compiling dntmc_setgeom.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dntmc' Compiling gibbs.F... gibbs.F:4667:0: hold = NUMBERSUM(1,J) Warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] gibbs.F:1914:0: IF((CONT2 .eq. 0).or.(new_markov_chain)) then Warning: 'new_markov_chain' may be used uninitialized in this function [-Wmaybe-uninitialized] gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dntmc' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dntmc' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdntmc.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdntmc.a dntmc_input.o dntmc_setgeom.o gibbs.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdntmc.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdntmc.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdntmc.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dntmc' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dntmc' Making libraries in dangchang gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dangchang' Compiling dc_initialize.F... Compiling dc_setgeom.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dangchang' Compiling dc_energy.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dangchang' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dangchang' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdangchang.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdangchang.a dc_initialize.o dc_setgeom.o dc_energy.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdangchang.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdangchang.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdangchang.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dangchang' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dangchang' Making libraries in ccca gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccca' Compiling task_ccca.F... Compiling ccca_utils.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccca' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libccca.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libccca.a task_ccca.o ccca_utils.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libccca.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libccca.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libccca.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccca' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/ccca' Making libraries in dimqm gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dimqm' Compiling dimqm_input.F... Compiling dimpar_input.F... Compiling dimqm_prep.F... Compiling dimqm_main.F... Compiling dimqm_polarizability.F... Compiling dimqm_f2d.F... Compiling dimqm_iterative.F... Compiling qmr_real.F... Compiling qmr_complex.F... Compiling matvecReal.F... Compiling matvecComplex.F... Compiling dimqm_EqmE.F... Compiling t2.F... Compiling pphilo.F... Compiling dimqm_fldpot.F... Compiling dimqm_EqmN.F... Compiling dimqm_printAtomicDipoles.F... Compiling dimqm_energy.F... Compiling dimqm_printDipole.F... Compiling dimqm_Dens2Dipoles.F... Compiling dimqm_indDipoles.F... Compiling dimqm_printAtoms.F... Compiling dimqm_addop.F... Compiling dimqm_lclfld.F... Compiling seeded_qmr_real.F... Compiling qmr_seed_real.F... Compiling seeded_qmr_real_augment.F... Compiling dimqm_tidy.F... Compiling qmr_seed_complex.F... Compiling seeded_qmr_complex.F... Compiling dimqm_broadcast.F... Compiling CubicSpline.F... Compiling dim_fock_xc.F... Compiling dim_getv.F... Compiling dim_tabcd.F... Compiling dim_eval_fnl.F... Compiling dim_grid_quadv0.F... dim_grid_quadv0.F:7:37: call dim_grid_quadv0_gen(rtdb, g_vdim, 1, 1, .false., 0, 1) 1 Warning: Rank mismatch in argument 'g_vdim' at (1) (scalar and rank-1) [-Wargument-mismatch] Compiling dim_grid_quadv0a.F... Compiling dim_grid_quadv0b.F... Compiling dimqm_seeding.F... Compiling dimqm_rohf.F... Compiling dimqm_util.F... Compiling dimqm_addop_uhf.F... gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dimqm' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdimqm.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdimqm.a dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdimqm.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdimqm.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/libdimqm.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dimqm' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/dimqm' Making libraries in 64to32blas gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/64to32blas' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/64to32blas' Compiling yscal.F... Compiling ycopy.F... Compiling ydot.F... Compiling ygemm.F... Compiling ygemv.F... Compiling iyamax.F... Compiling ygesv.F... Compiling ygesvd.F... Compiling yaxpy.F... Compiling yspsvx.F... Compiling yposv.F... Compiling ysyev.F... Compiling yger.F... Compiling yrot.F... Compiling ylaset.F... Compiling yswap.F... Compiling ygebak.F... Compiling ygebal.F... Compiling ynrm2.F... Compiling ylacpy.F... Compiling ylascl.F... Compiling ylange.F... Compiling ytrevc.F... Compiling yhseqr.F... Compiling yorghr.F... Compiling ygehrd.F... Compiling ysterf.F... Compiling ylarnv.F... Compiling ylagtf.F... Compiling ylagts.F... Compiling yasum.F... Compiling ypotri.f... Compiling ypotrf.f... Compiling ysygv.F... Compiling ygeev.F... Compiling ygeevx.F... Compiling ifily.F... Compiling jscal.F... Compiling jaxpy.F... Compiling jgemm.F... Compiling jheev.F... Compiling jcopy.F... Compiling jdotc.F... Compiling ijamax.F... Compiling jgesvd.F... gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/64to32blas' gmake[4]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/64to32blas' Got lock on /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/lib64to32.lock ar rU /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o /usr/libexec/binutils227/elf/ar: creating /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/lib64to32.a echo /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/lib64to32.a /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64/lib64to32.a gmake[4]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/64to32blas' gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/64to32blas' gmake nwchem.o stubs.o gmake[3]: Entering directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src' gfortran8 -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -fno-tree-dominator-opts -finline-functions -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/..'" -DNWCHEM_BRANCH="'Development'" -c -o nwchem.o nwchem.F gfortran8 -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -fno-tree-dominator-opts -finline-functions -O2 -g -fno-aggressive-loop-optimizations -fno-tree-dominator-opts -g -O -I. -I/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/..'" -DNWCHEM_BRANCH="'Development'" -c -o stubs.o stubs.F gmake[3]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src' gfortran8 -L/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../lib/LINUX64 -L/usr/local/lib -L/usr/local/lib/gcc8 -L/usr/local/lib -o /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -l64to32 -lnwclapack -lnwcblas -L/usr/local/lib/gcc8 -L/usr/local/lib -lmpifort -lmpi -lcomex -lblas -lm -L/usr/local/lib -lpthread /bin/rm -f nwchem.o stubs.o gmake[2]: Leaving directory '/construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src' -------------------------------------------------------------------------------- -- Phase: run-depends -------------------------------------------------------------------------------- ===> nwchem-6.8.1.20190606 depends on package: nwchem-data>0 - not found ===> Installing existing package /packages/All/nwchem-data-6.8.1.20190125.txz Installing nwchem-data-6.8.1.20190125... Extracting nwchem-data-6.8.1.20190125: .......... done ===> nwchem-6.8.1.20190606 depends on package: nwchem-data>0 - found ===> Returning to build of nwchem-6.8.1.20190606 ===> nwchem-6.8.1.20190606 depends on executable: gfortran8 - found -------------------------------------------------------------------------------- -- Phase: stage -------------------------------------------------------------------------------- ===> Staging for nwchem-6.8.1.20190606 ===> Generating temporary packing list install -m 0644 /construction/science/nwchem/nwchemrc /construction/science/nwchem/stage/usr/local/etc/nwchemrc install -s -m 555 /construction/science/nwchem/nwchem-master-oct22_2018-262-gbe00273ff/src/../bin/LINUX64/nwchem /construction/science/nwchem/stage/usr/local/bin/nwchem ====> Compressing man pages (compress-man) -------------------------------------------------------------------------------- -- Phase: package -------------------------------------------------------------------------------- ===> Building package for nwchem-6.8.1.20190606 file sizes/checksums [5]: . done packing files [5]: . done packing directories [0]: . done -------------------------------------------------- -- Termination -------------------------------------------------- Finished: Tuesday, 23 JUL 2019 at 21:34:33 UTC Duration: 01:56:53