=> Building science/openmx Started : Friday, 26 JUL 2019 at 07:35:00 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 -------------------------------------------------- ===> The following configuration options are available for openmx-3.8.5_4: SIMD=on: Use CPU-specific optimizations ===> Use 'make config' to modify these settings -------------------------------------------------- -- CONFIGURE_ENV -------------------------------------------------- F77="gfortran8" FC="gfortran8" FFLAGS="-O -Wl,-rpath=/usr/local/lib/gcc8" FCFLAGS="-Wl,-rpath=/usr/local/lib/gcc8" MAKE=gmake XDG_DATA_HOME=/construction/science/openmx XDG_CONFIG_HOME=/construction/science/openmx HOME=/construction/science/openmx TMPDIR="/tmp" PATH=/construction/science/openmx/.bin:/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin SHELL=/bin/sh CONFIG_SHELL=/bin/sh CCVER=gcc80 CMAKE_PREFIX_PATH="/usr/local" -------------------------------------------------- -- CONFIGURE_ARGS -------------------------------------------------- -------------------------------------------------- -- MAKE_ENV -------------------------------------------------- MPICH_CC=cc F77="gfortran8" FC="gfortran8" FFLAGS="-O -Wl,-rpath=/usr/local/lib/gcc8" FCFLAGS="-Wl,-rpath=/usr/local/lib/gcc8" XDG_DATA_HOME=/construction/science/openmx XDG_CONFIG_HOME=/construction/science/openmx HOME=/construction/science/openmx TMPDIR="/tmp" PATH=/construction/science/openmx/.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 -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing " CPP="cpp" CPPFLAGS="-isystem /usr/local/include" LDFLAGS=" /usr/local/lib/gcc8/libgcc_s.so /usr/local/lib/libmpifort.so -Wl,-rpath=/usr/local/lib/gcc8 -L/usr/local/lib/gcc8 -B/usr/local/bin -L/usr/local/lib " LIBS="" CXX="c++" CXXFLAGS=" -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -std=c++11 " 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 -------------------------------------------------- CFLAGS="-pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing " FFLAGS="-O -Wl,-rpath=/usr/local/lib/gcc8" LDFLAGS=" /usr/local/lib/gcc8/libgcc_s.so /usr/local/lib/libmpifort.so -Wl,-rpath=/usr/local/lib/gcc8 -L/usr/local/lib/gcc8 -B/usr/local/bin -L/usr/local/lib " GCC_LIB=/usr/local/lib/gcc8/libgfortran.so DESTDIR=/construction/science/openmx/stage -------------------------------------------------- -- PLIST_SUB -------------------------------------------------- OSREL=5.6 PREFIX=%D LOCALBASE=/usr/local RESETPREFIX=/usr/local LIB32DIR=lib PROFILE="@comment " DOCSDIR="share/doc/openmx" EXAMPLESDIR="share/examples/openmx" DATADIR="share/openmx" WWWDIR="www/openmx" ETCDIR="etc/openmx" -------------------------------------------------- -- SUB_LIST -------------------------------------------------- PREFIX=/usr/local LOCALBASE=/usr/local DATADIR=/usr/local/share/openmx DOCSDIR=/usr/local/share/doc/openmx EXAMPLESDIR=/usr/local/share/examples/openmx WWWDIR=/usr/local/www/openmx ETCDIR=/usr/local/etc/openmx -------------------------------------------------- -- /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 -------------------------------------------------------------------------------- ===> NOTICE: This port is deprecated; you may wish to reconsider installing it: Depends on expiring devel/openmp. It is scheduled to be removed on or after 2019-12-31. ===> License GPLv2 accepted by the user -------------------------------------------------------------------------------- -- Phase: pkg-depends -------------------------------------------------------------------------------- ===> openmx-3.8.5_4 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 ===> openmx-3.8.5_4 depends on file: /usr/local/sbin/pkg - found ===> Returning to build of openmx-3.8.5_4 -------------------------------------------------------------------------------- -- Phase: fetch-depends -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- -- Phase: fetch -------------------------------------------------------------------------------- ===> NOTICE: This port is deprecated; you may wish to reconsider installing it: Depends on expiring devel/openmp. It is scheduled to be removed on or after 2019-12-31. ===> License GPLv2 accepted by the user ===> Fetching all distfiles required by openmx-3.8.5_4 for building -------------------------------------------------------------------------------- -- Phase: checksum -------------------------------------------------------------------------------- ===> NOTICE: This port is deprecated; you may wish to reconsider installing it: Depends on expiring devel/openmp. It is scheduled to be removed on or after 2019-12-31. ===> License GPLv2 accepted by the user ===> Fetching all distfiles required by openmx-3.8.5_4 for building => SHA256 Checksum OK for openmx/openmx3.8.tar.gz. => SHA256 Checksum OK for openmx/patch3.8.5.tar.gz. -------------------------------------------------------------------------------- -- Phase: extract-depends -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- -- Phase: extract -------------------------------------------------------------------------------- ===> NOTICE: This port is deprecated; you may wish to reconsider installing it: Depends on expiring devel/openmp. It is scheduled to be removed on or after 2019-12-31. ===> License GPLv2 accepted by the user ===> Fetching all distfiles required by openmx-3.8.5_4 for building ===> Extracting for openmx-3.8.5_4 ===> NOTICE: This port is deprecated; you may wish to reconsider installing it: Depends on expiring devel/openmp. It is scheduled to be removed on or after 2019-12-31. ===> License GPLv2 accepted by the user ===> Fetching all distfiles required by openmx-3.8.5_4 for building => SHA256 Checksum OK for openmx/openmx3.8.tar.gz. => SHA256 Checksum OK for openmx/patch3.8.5.tar.gz. -------------------------------------------------------------------------------- -- Phase: patch-depends -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- -- Phase: patch -------------------------------------------------------------------------------- ===> Patching for openmx-3.8.5_4 ===> Converting DOS text files to UNIX text files ===> Applying ports patches for openmx-3.8.5_4 /usr/bin/sed -i.bak -e 's@-liomp5@@g' /construction/science/openmx/openmx3.8/source/makefile -------------------------------------------------------------------------------- -- Phase: build-depends -------------------------------------------------------------------------------- ===> openmx-3.8.5_4 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... | `-- Installing gettext-runtime-0.20.1... | | `-- Installing indexinfo-0.3.1... | | `-- Extracting indexinfo-0.3.1: .... done | `-- Extracting gettext-runtime-0.20.1: .......... done `-- 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. ===> openmx-3.8.5_4 depends on executable: gfortran8 - found ===> Returning to build of openmx-3.8.5_4 ===> openmx-3.8.5_4 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 ===> openmx-3.8.5_4 depends on executable: gmake - found ===> Returning to build of openmx-3.8.5_4 ===> openmx-3.8.5_4 depends on file: /usr/local/bin/as - found -------------------------------------------------------------------------------- -- Phase: lib-depends -------------------------------------------------------------------------------- ===> openmx-3.8.5_4 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 ===> openmx-3.8.5_4 depends on shared library: libblas.so - found (/usr/local/lib/libblas.so) ===> Returning to build of openmx-3.8.5_4 ===> openmx-3.8.5_4 depends on shared library: libfftw3.so - not found ===> Installing existing package /packages/All/fftw3-3.3.8_3.txz Installing fftw3-3.3.8_3... Extracting fftw3-3.3.8_3: .......... done ===> openmx-3.8.5_4 depends on shared library: libfftw3.so - found (/usr/local/lib/libfftw3.so) ===> Returning to build of openmx-3.8.5_4 ===> openmx-3.8.5_4 depends on shared library: liblapack.so - not found ===> Installing existing package /packages/All/lapack-3.5.0_7.txz Installing lapack-3.5.0_7... Extracting lapack-3.5.0_7: .......... done ===> openmx-3.8.5_4 depends on shared library: liblapack.so - found (/usr/local/lib/liblapack.so) ===> Returning to build of openmx-3.8.5_4 ===> openmx-3.8.5_4 depends on shared library: libmpich.so - not found ===> Installing existing package /packages/All/mpich-3.2.1_4.txz 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 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 ===> openmx-3.8.5_4 depends on shared library: libmpich.so - found (/usr/local/lib/libmpich.so) ===> Returning to build of openmx-3.8.5_4 -------------------------------------------------------------------------------- -- Phase: configure -------------------------------------------------------------------------------- ===> Configuring for openmx-3.8.5_4 -------------------------------------------------------------------------------- -- Phase: build -------------------------------------------------------------------------------- ===> Building for openmx-3.8.5_4 gmake[2]: Entering directory '/construction/science/openmx/openmx3.8/source' mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c openmx.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c openmx_common.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Input_std.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Inputtools.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c init.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c LU_inverse.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c ReLU_inverse.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c truncation.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c readfile.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c FT_PAO.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c FT_NLP.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c FT_ProExpn_VNA.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c FT_VNA.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c FT_ProductPAO.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Hamiltonian_Cluster.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Hamiltonian_Cluster_Hs.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Overlap_Cluster.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Hamiltonian_Band.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Overlap_Band.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Hamiltonian_Cluster_NC.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Hamiltonian_Band_NC.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Hamiltonian_Cluster_SO.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Get_OneD_HS_Col.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c SetPara_DFT.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c XC_Ceperly_Alder.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c XC_CA_LSDA.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c XC_PW92C.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c XC_PBE.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c XC_EX.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c DFT.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Mixing_DM.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Mixing_H.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Force.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Stress.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Poisson.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Poisson_ESM.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cluster_DFT.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cluster_DFT_ScaLAPACK.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cluster_DFT_Dosout.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cluster_DFT_ON2.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Band_DFT_Col.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Band_DFT_Col_ScaLAPACK.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Band_DFT_NonCol.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Band_DFT_kpath.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Band_DFT_MO.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Unfolding_Bands.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Band_DFT_Dosout.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Density_Grid.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Orbitals_Grid.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Aden_Grid.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Gauss_Legendre.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c zero_cfrac.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c xyz2spherical.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c AngularF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c RadialF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Dr_RadialF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c PhiF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c VNAF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Dr_VNAF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c VH_AtomF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Dr_VH_AtomF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c RF_BesselF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c QuickSort.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Nonlocal_RadialF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c KumoF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Dr_KumoF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Mulliken_Charge.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Occupation_Number_LDA_U.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Eff_Hub_Pot.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c EulerAngle_Spin.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Smoothing_Func.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Orbital_Moment.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Pot_NeutralAtom.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Simple_Mixing_DM.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c DIIS_Mixing_DM.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c ADIIS_Mixing_DM.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c GR_Pulay_DM.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Kerker_Mixing_Rhok.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c DIIS_Mixing_Rhok.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Total_Energy.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Contract_Hamiltonian.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Contract_iHNL.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cont_Matrix0.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cont_Matrix1.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cont_Matrix2.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cont_Matrix3.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cont_Matrix4.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Opt_Contraction.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Initial_CntCoes.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Initial_CntCoes2.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_XC_Grid.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Get_Orbitals.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Get_dOrbitals.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Get_Cnt_Orbitals.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Get_Cnt_dOrbitals.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Gaunt.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Find_CGrids.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c MD_pac.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c RestartFileDFT.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Output_CompTime.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Merge_LogFile.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Make_FracCoord.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Make_InputFile_with_FinalCoord.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Output_Energy_Decomposition.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Divide_Conquer.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Krylov.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c EC.c In file included from openmx_common.h:120, from EC.c:18: EC.c: In function 'EC_Col3': EC.c:628:16: warning: implicit declaration of function 'dgemm_'; did you mean 'dremf'? [-Wimplicit-function-declaration] F77_NAME(dgemm,DGEMM)("N", "T", &M, &N, &K, &alpha, ^~~~~ f77func.h:63:27: note: in definition of macro 'F77_NAME' #define F77_NAME(a,A) a ## _ ^ mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Divide_Conquer_Dosout.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Eigen_lapack.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Eigen_lapack2.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Eigen_lapack3.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c EigenBand_lapack.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Eigen_PReHH.c In file included from openmx_common.h:120, from Eigen_PReHH.c:17: Eigen_PReHH.c: In function 'Eigen_ELPA1_Re': Eigen_PReHH.c:181:12: warning: implicit declaration of function 'solve_evp_real_' [-Wimplicit-function-declaration] F77_NAME(solve_evp_real,SOLVE_EVP_REAL)(&na, &nev, a, &na_rows, &ko[1], z, &na_rows, &nblk, &mpi_comm_rows_int, &mpi_comm_cols_int); ^~~~~~~~~~~~~~ f77func.h:63:27: note: in definition of macro 'F77_NAME' #define F77_NAME(a,A) a ## _ ^ mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c BroadCast_ReMatrix.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Eigen_PHH.c In file included from openmx_common.h:120, from Eigen_PHH.c:17: Eigen_PHH.c: In function 'Eigen_ELPA1_Co': Eigen_PHH.c:163:12: warning: implicit declaration of function 'solve_evp_complex_' [-Wimplicit-function-declaration] F77_NAME(solve_evp_complex,SOLVE_EVP_COMPLEX)(&na, &nev, a, &na_rows, &ko[1], z, &na_rows, &nblk, &mpi_comm_rows_int, &mpi_comm_cols_int); ^~~~~~~~~~~~~~~~~ f77func.h:63:27: note: in definition of macro 'F77_NAME' #define F77_NAME(a,A) a ## _ ^ mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c BroadCast_ComplexMatrix.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstedc1.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstedc2.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstedc3.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstegr1.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstegr2.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstegr3.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstevx1.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstevx2.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstevx3.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstevx4.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dstevx5.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c lapack_dsteqr1.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Nonlocal_Basis.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_OLP_Kin.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Nonlocal.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_ProExpn_VNA.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Hamiltonian.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Vpot.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Voronoi_Charge.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Voronoi_Orbital_Moment.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Fuzzy_Weight.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c dampingF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c deri_dampingF.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Spherical_Bessel.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c iterout.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c iterout_md.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Allocate_Arrays.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Free_Arrays.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Init_List_YOUSO.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c outputfile1.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c malloc_multidimarray.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c PrintMemory.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c PrintMemory_Fix.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c dtime.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c OutData.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c OutData_Binary.c OutData_Binary.c: In function 'Print_CubeData': OutData_Binary.c:1860:3: warning: implicit declaration of function 'fsync' [-Wimplicit-function-declaration] fsync(fd); ^~~~~ mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c init_alloc_first.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c File_CntCoes.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c SCF2File.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c mimic_sse.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Make_Comm_Worlds.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Set_Allocate_Atom2CPU.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Cutoff.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Generating_MP_Special_Kpt.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Maketest.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Runtest.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Memory_Leak_test.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Force_test.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Stress_test.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Show_DFT_DATA.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Generate_Wannier.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Allocate.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_DFT.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_DFT_Dosout.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Apply_Bias2e.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Deallocate_Electrode_Grid.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Deallocate_RestartFile.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_RestartFile.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_CentGreen.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Input_std.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_CentOverlap.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_CentGreenLesser.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Input_std_Atoms.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_Electrode_Grid.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_GridBound.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_IntegPath.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Output_HKS.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_MP.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_SelfEnergy.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Output_Trans_HS.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_Hopping_G.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_SurfGreen.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_SurfOverlap.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Add_Density_Lead.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Add_ADensity_Lead.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_Value.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Poisson.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_adjust_Ngrid.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Print.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Print_Grid.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c Lapack_LU_inverse.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Distribute_Node.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Output_HKS_Write_Grid.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Credit.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Check_Region_Lead.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Check_Region.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Check_Input.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c DFTDvdW_init.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c DFTD3vdW_init.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c neb.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c neb_run.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c neb_check.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c cellopt.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Allocate_NC.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_DFT_NC.c DFTD3vdW_init.c: In function 'DFTD3vdW_init': DFTD3vdW_init.c:33502:3: warning: implicit declaration of function 'memset' [-Wimplicit-function-declaration] memset( maxcn_dftD, -1, sizeof( maxcn_dftD) ); ^~~~~~ DFTD3vdW_init.c:33502:3: warning: incompatible implicit declaration of built-in function 'memset' DFTD3vdW_init.c:33502:3: note: include '' or provide a declaration of 'memset' DFTD3vdW_init.c:23:1: +#include DFTD3vdW_init.c:33502:3: memset( maxcn_dftD, -1, sizeof( maxcn_dftD) ); ^~~~~~ mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_CentOverlap_NC.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Set_SurfOverlap_NC.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_OneTransmission.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Main_Analysis.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Main_Analysis_NC.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c MTRAN_EigenChannel.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Channel_Functions.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Channel_Output.c TRAN_Channel_Output.c: In function 'Print_CubeCData_MO': TRAN_Channel_Output.c:127:7: warning: implicit declaration of function 'strcmp' [-Wimplicit-function-declaration] if (strcmp(op, "r") == 0) { cmd = 1; } ^~~~~~ TRAN_Channel_Output.c: At top level: TRAN_Channel_Output.c:400:1: warning: return type defaults to 'int' [-Wimplicit-int] TRAN_Output_ChannelCube( ^~~~~~~~~~~~~~~~~~~~~~~ TRAN_Channel_Output.c: In function 'TRAN_Output_ChannelCube': TRAN_Channel_Output.c:516:9: warning: implicit declaration of function 'fsync' [-Wimplicit-function-declaration] fsync(fd); ^~~~~ mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_Calc_CurrentDensity.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c TRAN_CDen_Main.c TRAN_CDen_Main.c: In function 'TRAN_Current_OutPutCube': TRAN_CDen_Main.c:817:11: warning: implicit declaration of function 'fsync' [-Wimplicit-function-declaration] fsync(fd); ^~~~~ mpif90 -O -Wl,-rpath=/usr/local/lib/gcc8 -fopenmp -c elpa1.f90 mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c NBO_Cluster.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c NBO_Krylov.c NBO_Krylov.c: In function 'Krylov_Col_NAO': NBO_Krylov.c:471:13: warning: implicit declaration of function 'omp_get_thread_num' [-Wimplicit-function-declaration] OMPID = omp_get_thread_num(); ^~~~~~~~~~~~~~~~~~ NBO_Krylov.c:472:14: warning: implicit declaration of function 'omp_get_num_threads' [-Wimplicit-function-declaration] Nthrds = omp_get_num_threads(); ^~~~~~~~~~~~~~~~~~~ NBO_Krylov.c:473:14: warning: implicit declaration of function 'omp_get_num_procs' [-Wimplicit-function-declaration] Nprocs = omp_get_num_procs(); ^~~~~~~~~~~~~~~~~ mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx.o exx.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_index.o exx_index.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_vector.o exx_vector.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_log.o exx_log.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_step1.o exx_step1.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_step2.o exx_step2.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_file_overlap.o exx_file_overlap.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_file_eri.o exx_file_eri.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_interface_openmx.o exx_interface_openmx.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_debug.o exx_debug.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_xc.o exx_xc.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o exx_rhox.o exx_rhox.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/eri.o liberi-091216/source/eri.c liberi-091216/source/eri.c: In function 'ERI_Overlap': liberi-091216/source/eri.c:133:43: warning: passing argument 5 of 'ERI_LL_Overlap_d' from incompatible pointer type [-Wincompatible-pointer-types] ERI_LL_Overlap_d(solver, p, dp, alp1, dalp1, alp2, dalp2, cx); ^~~~~ In file included from liberi-091216/source/eri.c:14: liberi-091216/source/eri.h:532:17: note: expected 'const double **' but argument is of type 'double **' const double *da1[3], ~~~~~~~~~~~~~~^~~~~~ liberi-091216/source/eri.c:133:56: warning: passing argument 7 of 'ERI_LL_Overlap_d' from incompatible pointer type [-Wincompatible-pointer-types] ERI_LL_Overlap_d(solver, p, dp, alp1, dalp1, alp2, dalp2, cx); ^~~~~ In file included from liberi-091216/source/eri.c:14: liberi-091216/source/eri.h:534:17: note: expected 'const double **' but argument is of type 'double **' const double *da2[3], ~~~~~~~~~~~~~~^~~~~~ liberi-091216/source/eri.c: In function 'ERI_Integral': liberi-091216/source/eri.c:228:35: warning: passing argument 3 of 'ERI_Integral_GL_d' from incompatible pointer type [-Wincompatible-pointer-types] ERI_Integral_GL_d(solver, I4, dI4, glF, glG, dglF, dglG, ^~~ In file included from liberi-091216/source/eri.c:14: liberi-091216/source/eri.h:574:17: note: expected 'double (*)[3][2]' but argument is of type 'double *' double dI4[4][3][2], ~~~~~~~~~~~~~~^~~~~~~~~~~~ liberi-091216/source/eri.c:228:50: warning: passing argument 6 of 'ERI_Integral_GL_d' from incompatible pointer type [-Wincompatible-pointer-types] ERI_Integral_GL_d(solver, I4, dI4, glF, glG, dglF, dglG, ^~~~ In file included from liberi-091216/source/eri.c:14: liberi-091216/source/eri.h:577:17: note: expected 'const double **' but argument is of type 'double **' const double *dF1[3], /* (IN) Overlap matrix */ ~~~~~~~~~~~~~~^~~~~~ liberi-091216/source/eri.c:228:56: warning: passing argument 7 of 'ERI_Integral_GL_d' from incompatible pointer type [-Wincompatible-pointer-types] ERI_Integral_GL_d(solver, I4, dI4, glF, glG, dglF, dglG, ^~~~ In file included from liberi-091216/source/eri.c:14: liberi-091216/source/eri.h:578:17: note: expected 'const double **' but argument is of type 'double **' const double *dF2[3], /* (IN) */ ~~~~~~~~~~~~~~^~~~~~ mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/eri_ll.o liberi-091216/source/eri_ll.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/eri_sf.o liberi-091216/source/eri_sf.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/eri_interpolate.o liberi-091216/source/eri_interpolate.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/eri_gtbl.o liberi-091216/source/eri_gtbl.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/sbt/eri_sbt.o liberi-091216/source/sbt/eri_sbt.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/sbt/log/eri_fsbt.o liberi-091216/source/sbt/log/eri_fsbt.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/sbt/log/eri_logfsbt.o liberi-091216/source/sbt/log/eri_logfsbt.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include -c -o liberi-091216/source/sbt/linear/eri_linfsbt.o liberi-091216/source/sbt/linear/eri_linfsbt.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -o DosMain.o -c DosMain.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -o Tetrahedron_Blochl.o -c Tetrahedron_Blochl.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c jx.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c read_scfout.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c analysis_example.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -o esp.o -c esp.c mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -c polB.c gcc bandgnu13.c -lm -o bandgnu13 gcc bin2txt.c -lm -o bin2txt gcc cube2xsf.c -lm -o cube2xsf gcc intensity_map.c -lm -o intensity_map gcc md2axsf.c -lm -o md2axsf mpif90 -O -Wl,-rpath=/usr/local/lib/gcc8 -fopenmp -c solve_evp_real.f90 mpif90 -O -Wl,-rpath=/usr/local/lib/gcc8 -fopenmp -c solve_evp_complex.f90 mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source jx.o read_scfout.o /usr/local/lib/gcc8/libgcc_s.so /usr/local/lib/libmpifort.so -Wl,-rpath=/usr/local/lib/gcc8 -L/usr/local/lib/gcc8 -B/usr/local/bin -L/usr/local/lib -lpthread -llapack -lblas -lgfortran -lfftw3 -lm -o jx cp jx ../work/jx mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source analysis_example.o read_scfout.o /usr/local/lib/gcc8/libgcc_s.so /usr/local/lib/libmpifort.so -Wl,-rpath=/usr/local/lib/gcc8 -L/usr/local/lib/gcc8 -B/usr/local/bin -L/usr/local/lib -lpthread -llapack -lblas -lgfortran -lfftw3 -lm -o analysis_example cp analysis_example ../work/analysis_example mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source esp.o Inputtools.o /usr/local/lib/gcc8/libgcc_s.so /usr/local/lib/libmpifort.so -Wl,-rpath=/usr/local/lib/gcc8 -L/usr/local/lib/gcc8 -B/usr/local/bin -L/usr/local/lib -lpthread -llapack -lblas -lgfortran -lfftw3 -lm -o esp mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source -o DosMain DosMain.o Inputtools.o malloc_multidimarray.o Tetrahedron_Blochl.o -lm cp esp ../work/esp cp DosMain ../work/DosMain mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source polB.o read_scfout.o /usr/local/lib/gcc8/libgcc_s.so /usr/local/lib/libmpifort.so -Wl,-rpath=/usr/local/lib/gcc8 -L/usr/local/lib/gcc8 -B/usr/local/bin -L/usr/local/lib -lpthread -llapack -lblas -lgfortran -lfftw3 -lm -o polB NBO_Cluster.c: In function 'Calc_NAO_Cluster': NBO_Cluster.c:5583:21: warning: argument 1 range [18446744056529682440, 18446744073709551544] exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] Table_NBO = (int**)malloc(sizeof(int*)*(atomnum*10+1)); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from NBO_Cluster.c:19: /usr/include/stdlib.h:102:7: note: in a call to allocation function 'malloc' declared here void *malloc(size_t) __malloclike __heedresult __alloc_size(1); ^~~~~~ cp polB ../work/polB mpicc -pipe -Dkcomp -Dnosse -msse -msse2 -mfpmath=sse -O2 -isystem /usr/local/include -fno-strict-aliasing -fopenmp -I./liberi-091216/source openmx.o openmx_common.o Input_std.o Inputtools.o init.o LU_inverse.o ReLU_inverse.o truncation.o readfile.o FT_PAO.o FT_NLP.o FT_ProExpn_VNA.o FT_VNA.o FT_ProductPAO.o Hamiltonian_Cluster.o Hamiltonian_Cluster_Hs.o Overlap_Cluster.o Hamiltonian_Band.o Overlap_Band.o Hamiltonian_Cluster_NC.o Hamiltonian_Band_NC.o Hamiltonian_Cluster_SO.o Get_OneD_HS_Col.o SetPara_DFT.o XC_Ceperly_Alder.o XC_CA_LSDA.o XC_PW92C.o XC_PBE.o XC_EX.o DFT.o Mixing_DM.o Mixing_H.o Force.o Stress.o Poisson.o Poisson_ESM.o Cluster_DFT.o Cluster_DFT_ScaLAPACK.o Cluster_DFT_Dosout.o Cluster_DFT_ON2.o Band_DFT_Col.o Band_DFT_Col_ScaLAPACK.o Band_DFT_NonCol.o Band_DFT_kpath.o Band_DFT_MO.o Unfolding_Bands.o Band_DFT_Dosout.o Set_Density_Grid.o Set_Orbitals_Grid.o Set_Aden_Grid.o Gauss_Legendre.o zero_cfrac.o xyz2spherical.o AngularF.o RadialF.o Dr_RadialF.o PhiF.o VNAF.o Dr_VNAF.o VH_AtomF.o Dr_VH_AtomF.o RF_BesselF.o QuickSort.o Nonlocal_RadialF.o KumoF.o Dr_KumoF.o Mulliken_Charge.o Occupation_Number_LDA_U.o Eff_Hub_Pot.o EulerAngle_Spin.o Smoothing_Func.o Orbital_Moment.o Pot_NeutralAtom.o Simple_Mixing_DM.o DIIS_Mixing_DM.o ADIIS_Mixing_DM.o GR_Pulay_DM.o Kerker_Mixing_Rhok.o DIIS_Mixing_Rhok.o Total_Energy.o Contract_Hamiltonian.o Contract_iHNL.o Cont_Matrix0.o Cont_Matrix1.o Cont_Matrix2.o Cont_Matrix3.o Cont_Matrix4.o Opt_Contraction.o Initial_CntCoes.o Initial_CntCoes2.o Set_XC_Grid.o Get_Orbitals.o Get_dOrbitals.o Get_Cnt_Orbitals.o Get_Cnt_dOrbitals.o Gaunt.o Find_CGrids.o MD_pac.o RestartFileDFT.o Output_CompTime.o Merge_LogFile.o Make_FracCoord.o Make_InputFile_with_FinalCoord.o Output_Energy_Decomposition.o Divide_Conquer.o Krylov.o EC.o Divide_Conquer_Dosout.o Eigen_lapack.o Eigen_lapack2.o Eigen_lapack3.o EigenBand_lapack.o Eigen_PReHH.o BroadCast_ReMatrix.o Eigen_PHH.o BroadCast_ComplexMatrix.o lapack_dstedc1.o lapack_dstedc2.o lapack_dstedc3.o lapack_dstegr1.o lapack_dstegr2.o lapack_dstegr3.o lapack_dstevx1.o lapack_dstevx2.o lapack_dstevx3.o lapack_dstevx4.o lapack_dstevx5.o lapack_dsteqr1.o Nonlocal_Basis.o Set_OLP_Kin.o Set_Nonlocal.o Set_ProExpn_VNA.o Set_Hamiltonian.o Set_Vpot.o Voronoi_Charge.o Voronoi_Orbital_Moment.o Fuzzy_Weight.o dampingF.o deri_dampingF.o Spherical_Bessel.o iterout.o iterout_md.o Allocate_Arrays.o Free_Arrays.o Init_List_YOUSO.o outputfile1.o malloc_multidimarray.o PrintMemory.o PrintMemory_Fix.o dtime.o OutData.o OutData_Binary.o init_alloc_first.o File_CntCoes.o SCF2File.o mimic_sse.o Make_Comm_Worlds.o Set_Allocate_Atom2CPU.o Cutoff.o Generating_MP_Special_Kpt.o Maketest.o Runtest.o Memory_Leak_test.o Force_test.o Stress_test.o Show_DFT_DATA.o Generate_Wannier.o TRAN_Allocate.o TRAN_DFT.o TRAN_DFT_Dosout.o TRAN_Apply_Bias2e.o TRAN_Deallocate_Electrode_Grid.o TRAN_Deallocate_RestartFile.o TRAN_RestartFile.o TRAN_Calc_CentGreen.o TRAN_Input_std.o TRAN_Set_CentOverlap.o TRAN_Calc_CentGreenLesser.o TRAN_Input_std_Atoms.o TRAN_Set_Electrode_Grid.o TRAN_Calc_GridBound.o TRAN_Set_IntegPath.o TRAN_Output_HKS.o TRAN_Set_MP.o TRAN_Calc_SelfEnergy.o TRAN_Output_Trans_HS.o TRAN_Calc_Hopping_G.o TRAN_Calc_SurfGreen.o TRAN_Set_SurfOverlap.o TRAN_Add_Density_Lead.o TRAN_Add_ADensity_Lead.o TRAN_Set_Value.o TRAN_Poisson.o TRAN_adjust_Ngrid.o TRAN_Print.o TRAN_Print_Grid.o Lapack_LU_inverse.o TRAN_Distribute_Node.o TRAN_Output_HKS_Write_Grid.o TRAN_Credit.o TRAN_Check_Region_Lead.o TRAN_Check_Region.o TRAN_Check_Input.o DFTDvdW_init.o DFTD3vdW_init.o neb.o neb_run.o neb_check.o cellopt.o TRAN_Allocate_NC.o TRAN_DFT_NC.o TRAN_Set_CentOverlap_NC.o TRAN_Set_SurfOverlap_NC.o TRAN_Calc_OneTransmission.o TRAN_Main_Analysis.o TRAN_Main_Analysis_NC.o MTRAN_EigenChannel.o TRAN_Channel_Functions.o TRAN_Channel_Output.o TRAN_Calc_CurrentDensity.o TRAN_CDen_Main.o elpa1.o solve_evp_real.o solve_evp_complex.o NBO_Cluster.o NBO_Krylov.o exx.o exx_index.o exx_vector.o exx_log.o exx_step1.o exx_step2.o exx_file_overlap.o exx_file_eri.o exx_interface_openmx.o exx_debug.o exx_xc.o exx_rhox.o ./liberi-091216/source/eri.o ./liberi-091216/source/eri_ll.o ./liberi-091216/source/eri_sf.o ./liberi-091216/source/eri_interpolate.o ./liberi-091216/source/eri_gtbl.o ./liberi-091216/source/sbt/eri_sbt.o ./liberi-091216/source/sbt/log/eri_fsbt.o ./liberi-091216/source/sbt/log/eri_logfsbt.o ./liberi-091216/source/sbt/linear/eri_linfsbt.o /usr/local/lib/gcc8/libgcc_s.so /usr/local/lib/libmpifort.so -Wl,-rpath=/usr/local/lib/gcc8 -L/usr/local/lib/gcc8 -B/usr/local/bin -L/usr/local/lib -lpthread -llapack -lblas -lgfortran -lfftw3 -lm -o openmx cp openmx DosMain jx analysis_example esp polB bandgnu13 bin2txt cube2xsf intensity_map md2axsf ../work/ gmake[2]: Leaving directory '/construction/science/openmx/openmx3.8/source' -------------------------------------------------------------------------------- -- Phase: run-depends -------------------------------------------------------------------------------- ===> openmx-3.8.5_4 depends on executable: gfortran8 - found -------------------------------------------------------------------------------- -- Phase: stage -------------------------------------------------------------------------------- ===> Staging for openmx-3.8.5_4 ===> Generating temporary packing list gmake[2]: Entering directory '/construction/science/openmx/openmx3.8/source' strip openmx install openmx /construction/science/openmx/stage/usr/local/bin/openmx gmake[2]: Leaving directory '/construction/science/openmx/openmx3.8/source' install -s -m 555 /construction/science/openmx/openmx3.8/source/DosMain /construction/science/openmx/stage/usr/local/bin install -s -m 555 /construction/science/openmx/openmx3.8/source/jx /construction/science/openmx/stage/usr/local/bin install -s -m 555 /construction/science/openmx/openmx3.8/source/analysis_example /construction/science/openmx/stage/usr/local/bin install -s -m 555 /construction/science/openmx/openmx3.8/source/esp /construction/science/openmx/stage/usr/local/bin install -s -m 555 /construction/science/openmx/openmx3.8/source/polB /construction/science/openmx/stage/usr/local/bin install -s -m 555 /construction/science/openmx/openmx3.8/source/bandgnu13 /construction/science/openmx/stage/usr/local/bin install -s -m 555 /construction/science/openmx/openmx3.8/source/bin2txt /construction/science/openmx/stage/usr/local/bin install -s -m 555 /construction/science/openmx/openmx3.8/source/cube2xsf /construction/science/openmx/stage/usr/local/bin install -s -m 555 /construction/science/openmx/openmx3.8/source/intensity_map /construction/science/openmx/stage/usr/local/bin install -s -m 555 /construction/science/openmx/openmx3.8/source/md2axsf /construction/science/openmx/stage/usr/local/bin cd /construction/science/openmx/openmx3.8/source/.. && /bin/sh -c '(/usr/bin/find -Ed $1 $3 | /usr/bin/cpio -dumpl $2 >/dev/null 2>&1) && /usr/bin/find -Ed $1 $3 \( -type d -exec /bin/sh -c '\''cd '\''$2'\'' && chmod 755 "$@"'\'' . {} + -o -type f -exec /bin/sh -c '\''cd '\''$2'\'' && chmod 0644 "$@"'\'' . {} + \)' COPYTREE_SHARE DFT_DATA13 /construction/science/openmx/stage/usr/local/share/openmx ====> Compressing man pages (compress-man) -------------------------------------------------------------------------------- -- Phase: package -------------------------------------------------------------------------------- ===> Building package for openmx-3.8.5_4 file sizes/checksums [488]: ..... done packing files [488]: ..... done packing directories [0]: . done -------------------------------------------------- -- Termination -------------------------------------------------- Finished: Friday, 26 JUL 2019 at 07:59:31 UTC Duration: 00:24:31