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Started by user tbouvet Started by user Greg Bauer [EnvInject] - Loading node environment variables. Building on master in workspace /var/lib/jenkins/workspace/rmg-spp executing script: PATH="/sbin:/usr/sbin:/bin:/usr/bin" set -v # specify installation directory export INSTDIR=~/rmg-spp #rm -rf $INSTDIR mkdir $INSTDIR module swap PrgEnv-cray PrgEnv-gnu module swap gcc gcc/4.9.3 module load boost module load cmake/3.1.3 module load fftw export CRAYPE_LINK_TYPE=dynamic export CRAY_ADD_RPATH=yes # install openbabel library cd $INSTDIR wget http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz tar zxvf openbabel-2.3.2.tar.gz cd openbabel-2.3.2/ mkdir build cd build/ cmake -DCMAKE_INSTALL_PREFIX=$INSTDIR/openbabel-2.3.2/install .. nice make -j8 make install export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$INSTDIR/openbabel-2.3.2/install/lib export CC=cc export CXX=CC export FC=ftn # install plplot library cd $INSTDIR git clone git://git.code.sf.net/p/plplot/plplot plplot.git cd plplot.git/ mkdir build cd build cmake -DCMAKE_INSTALL_PREFIX=$INSTDIR/plplot.git/install .. make make install # install CPU-version of RMG cd $INSTDIR wget http://downloads.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz tar zxvf rmg-release_2.1.tar.gz cd rmg-release_2.1 mkdir build-cpu; cd build-cpu cmake -DOPENBABEL_INCLUDES=$INSTDIR/openbabel-2.3.2/install/include/openbabel-2.0/openbabel -DOPENBABEL_LIBRARIES=$INSTDIR/openbabel-2.3.2/install/lib/libopenbabel.so.4.0.2 -DPLplot_INCLUDE_DIR=$INSTDIR/plplot.git/install/include -DPLplot_cxx_LIBRARY=$INSTDIR/plplot.git/install/lib/libplplotcxx.so -DPLplot_LIBRARY=$INSTDIR/plplot.git/install/lib/libplplot.so .. nice make -j12 rmg-cpu rm -rf ~/scratch/rmg-spp mkdir -p ~/scratch/rmg-spp cp /projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/run.pbs ~/scratch/rmg-spp/run.pbs cp /projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/302waters.rmg_cpu ~/scratch/rmg-spp/ cd ~/scratch/rmg-spp cat run.pbs | grep -v aprun > myrun.pbs echo "time aprun -n 400 -N 4 -d 8 -cc numa_node ~/rmg-spp/rmg-release_2.1/build-cpu/rmg-cpu 302waters.rmg_cpu" >> myrun.pbs cat -n myrun.pbs MYJOBID=`qsub myrun.pbs` echo MYJOBID=$MYJOBID ~arnoldg/ior/wait_for.sh $MYJOBID tail *.log > ~/rmg-spp/rmg.logtail.txt grep "real" z302water_cpu100.o* MYREALTIME=`egrep "real\s" z302water_cpu100.o* | cut -dl -f2 | cut -dm -f1` echo "YVALUE= $MYREALTIME" > ~/rmg-spp/rmg.realtime cat -n ~/rmg-spp/rmg.realtime # specify installation directory export INSTDIR=~/rmg-spp #rm -rf $INSTDIR mkdir $INSTDIR mkdir: cannot create directory `/u/system/bwjenkins/rmg-spp': File exists module swap PrgEnv-cray PrgEnv-gnu ${MODULESHOME}/bin/modulecmd bash $* ATP_HOME=/opt/cray/atp/2.0.4 ;export ATP_HOME;ATP_IGNORE_SIGTERM=1 ;export ATP_IGNORE_SIGTERM;ATP_MRNET_COMM_PATH=/opt/cray/atp/2.0.4/libexec/atp_mrnet_commnode_wrapper ;export ATP_MRNET_COMM_PATH;ATP_POST_LINK_OPTS=-Wl,-L/opt/cray/atp/2.0.4/libApp/\ ;export ATP_POST_LINK_OPTS;CRAYOS_VERSION=5.2.82 ;export CRAYOS_VERSION;CRAYPE_DIR=/opt/cray/craype/2.5.8 ;export CRAYPE_DIR;CRAYPE_NETWORK_TARGET=gemini ;export CRAYPE_NETWORK_TARGET;CRAYPE_VERSION=2.5.8 ;export CRAYPE_VERSION;CRAY_ALPS_INCLUDE_OPTS=-I/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/include ;export CRAY_ALPS_INCLUDE_OPTS;CRAY_ALPS_POST_LINK_OPTS=-L/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64 ;export CRAY_ALPS_POST_LINK_OPTS;CRAY_CPU_TARGET=interlagos ;export CRAY_CPU_TARGET;CRAY_DMAPP_INCLUDE_OPTS=-I/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/include\ -I/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/include\ ;export CRAY_DMAPP_INCLUDE_OPTS;CRAY_DMAPP_POST_LINK_OPTS=-L/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64 ;export CRAY_DMAPP_POST_LINK_OPTS;CRAY_GNI_HEADERS_INCLUDE_OPTS=-I/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/include ;export CRAY_GNI_HEADERS_INCLUDE_OPTS;CRAY_LD_LIBRARY_PATH=/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64:/opt/cray/libsci/16.11.1/GNU/4.9/x86_64/lib:/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib ;export CRAY_LD_LIBRARY_PATH;CRAY_LIBSCI_BASE_DIR=/opt/cray/libsci/16.11.1 ;export CRAY_LIBSCI_BASE_DIR;CRAY_LIBSCI_DIR=/opt/cray/libsci/16.11.1 ;export CRAY_LIBSCI_DIR;CRAY_LIBSCI_PREFIX_DIR=/opt/cray/libsci/16.11.1/GNU/4.9/x86_64 ;export CRAY_LIBSCI_PREFIX_DIR;CRAY_LIBSCI_VERSION=16.11.1 ;export CRAY_LIBSCI_VERSION;CRAY_MPICH2_DIR=/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9 ;export CRAY_MPICH2_DIR;CRAY_MPICH2_VER=7.5.0 ;export CRAY_MPICH2_VER;CRAY_MPICH_BASEDIR=/opt/cray/mpt/7.5.0/gni ;export CRAY_MPICH_BASEDIR;CRAY_MPICH_DIR=/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9 ;export CRAY_MPICH_DIR;CRAY_MPICH_ROOTDIR=/opt/cray/mpt/7.5.0 ;export CRAY_MPICH_ROOTDIR;CRAY_PMI_INCLUDE_OPTS=-I/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/include ;export CRAY_PMI_INCLUDE_OPTS;CRAY_PMI_POST_LINK_OPTS=-L/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64 ;export CRAY_PMI_POST_LINK_OPTS;CRAY_PRE_COMPILE_OPTS=-hnetwork=gemini ;export CRAY_PRE_COMPILE_OPTS;CRAY_PRGENVGNU=loaded ;export CRAY_PRGENVGNU;CRAY_RCA_INCLUDE_OPTS=-I/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/include\ -I/opt/cray/krca/1.0.0-2.0502.63139.4.30.gem/include\ -I/opt/cray-hss-devel/7.2.0/include\ ;export CRAY_RCA_INCLUDE_OPTS;CRAY_RCA_POST_LINK_OPTS=-L/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64\ -lrca\ ;export CRAY_RCA_POST_LINK_OPTS;CRAY_UDREG_INCLUDE_OPTS=-I/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/include ;export CRAY_UDREG_INCLUDE_OPTS;CRAY_UDREG_POST_LINK_OPTS=-L/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64 ;export CRAY_UDREG_POST_LINK_OPTS;CRAY_UGNI_INCLUDE_OPTS=-I/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/include ;export CRAY_UGNI_INCLUDE_OPTS;CRAY_UGNI_POST_LINK_OPTS=-L/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64 ;export CRAY_UGNI_POST_LINK_OPTS;CRAY_XPMEM_INCLUDE_OPTS=-I/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/include ;export CRAY_XPMEM_INCLUDE_OPTS;CRAY_XPMEM_POST_LINK_OPTS=-L/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64 ;export CRAY_XPMEM_POST_LINK_OPTS;DMAPP_ABORT_ON_ERROR=1 ;export DMAPP_ABORT_ON_ERROR;DVS_INCLUDE_OPTS=-I/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/include ;export DVS_INCLUDE_OPTS;DVS_VERSION=0.9.0 ;export DVS_VERSION;GCC_PATH=/opt/gcc/4.9.3 ;export GCC_PATH;GCC_VERSION=4.9.3 ;export GCC_VERSION;GNU_VERSION=4.9.3 ;export GNU_VERSION;INFOPATH=/opt/gcc/4.9.3/snos/share/info:/usr/local/info:/usr/share/info:/usr/info ;export INFOPATH;LD_LIBRARY_PATH=/opt/gcc/4.9.3/snos/lib64:/sw/xe/darshan/3.1.3/darshan-3.1.3/lib:/usr/local/globus-5.2.5/lib64:/usr/local/globus/lib64 ;export LD_LIBRARY_PATH;LIBSCI_BASE_DIR=/opt/cray/libsci/16.11.1 ;export LIBSCI_BASE_DIR;LIBSCI_VERSION=16.11.1 ;export LIBSCI_VERSION;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-interlagos:craype-network-gemini:craype/2.5.8:cray-mpich/7.5.0:torque/6.0.3:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/3.1.3:scripts:user-paths:xalt/0.7.6:cray-libsci/16.11.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.4:PrgEnv-gnu/5.2.82 ;export LOADEDMODULES;MANPATH=/opt/cray/atp/2.0.4/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.11.1/man:/opt/cray/man/csmlversion:/opt/gcc/4.9.3/snos/share/man:/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t2/share/man/:/opt/torque/6.0.3/share/man:/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/craype/2.5.8/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;MODULEPATH=/sw/EasyBuild/modules/all:/sw/bw/modulefiles:/sw/xe/modulefiles:/usr/local/modulefiles:/opt/cray/gem/modulefiles:/opt/cray/craype/2.5.8/modulefiles:/opt/cray/modulefiles:/opt/modulefiles ;export MODULEPATH;MPICH_ABORT_ON_ERROR=1 ;export MPICH_ABORT_ON_ERROR;MPICH_DIR=/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9 ;export MPICH_DIR;PATH=/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/gcc/4.9.3/bin:/opt/cray/craype/2.5.8/bin:/sbin:/usr/sbin:/bin:/usr/bin:/opt/cray/bin ;export PATH;PE_ACML_DEFAULT_DIR_CRAY=gfortran64 ;export PE_ACML_DEFAULT_DIR_CRAY;PE_ACML_DEFAULT_DIR_DEFAULT64=_int64 ;export PE_ACML_DEFAULT_DIR_DEFAULT64;PE_ACML_DEFAULT_DIR_GNU=gfortran64 ;export PE_ACML_DEFAULT_DIR_GNU;PE_ACML_DEFAULT_DIR_INTEL=ifort64 ;export PE_ACML_DEFAULT_DIR_INTEL;PE_ACML_DEFAULT_DIR_OPENMP=_mp ;export PE_ACML_DEFAULT_DIR_OPENMP;PE_ACML_DEFAULT_DIR_PGI=pgi64 ;export PE_ACML_DEFAULT_DIR_PGI;PE_ACML_DEFAULT_TARGET_interlagos=_fma4 ;export PE_ACML_DEFAULT_TARGET_interlagos;PE_ACML_DEFAULT_TARGET_x86_64= ;export PE_ACML_DEFAULT_TARGET_x86_64;PE_ACML_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/acml/5.3.1/@PE_ACML_DEFAULT_DIR@@PE_ACML_DEFAULT_TARGET@@PE_ACML_DEFAULT_DIR_OPENMP@@PE_ACML_DEFAULT_DIR_DEFAULT64@/lib/pkgconfig ;export PE_ACML_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_CRAY_DEFAULT_FIXED_PKGCONFIG_PATH=/opt/cray/parallel-netcdf/1.7.0/CRAY/8.3/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.3.0/CRAY/81/lib/pkgconfig:/opt/cray/netcdf/4.3.0/CRAY/81/lib/pkgconfig:/opt/cray/hdf5-parallel/1.8.11/CRAY/81/lib/pkgconfig:/opt/cray/hdf5/1.8.11/CRAY/81/lib/pkgconfig:/opt/cray/ga/5.3.0.7/CRAY/8.4/lib/pkgconfig ;export PE_CRAY_DEFAULT_FIXED_PKGCONFIG_PATH;PE_CXX_PKGCONFIG_LIBS=mpichcxx ;export PE_CXX_PKGCONFIG_LIBS;PE_ENV=GNU ;export PE_ENV;PE_FFTW_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_FFTW_DEFAULT_REQUIRED_PRODUCTS;PE_FFTW_DEFAULT_TARGET_abudhabi=abudhabi ;export PE_FFTW_DEFAULT_TARGET_abudhabi;PE_FFTW_DEFAULT_TARGET_broadwell=broadwell ;export PE_FFTW_DEFAULT_TARGET_broadwell;PE_FFTW_DEFAULT_TARGET_haswell=haswell ;export PE_FFTW_DEFAULT_TARGET_haswell;PE_FFTW_DEFAULT_TARGET_interlagos=interlagos ;export PE_FFTW_DEFAULT_TARGET_interlagos;PE_FFTW_DEFAULT_TARGET_ivybridge=ivybridge ;export PE_FFTW_DEFAULT_TARGET_ivybridge;PE_FFTW_DEFAULT_TARGET_mic_knl=mic_knl ;export PE_FFTW_DEFAULT_TARGET_mic_knl;PE_FFTW_DEFAULT_TARGET_sandybridge=sandybridge ;export PE_FFTW_DEFAULT_TARGET_sandybridge;PE_FFTW_DEFAULT_TARGET_share=share ;export PE_FFTW_DEFAULT_TARGET_share;PE_FFTW_DEFAULT_TARGET_x86_64=x86_64 ;export PE_FFTW_DEFAULT_TARGET_x86_64;PE_FFTW_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/fftw/3.3.4.10/@PE_FFTW_DEFAULT_TARGET@/lib/pkgconfig ;export PE_FFTW_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_FORTRAN_PKGCONFIG_LIBS;PE_GA_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_GA_DEFAULT_FIXED_PRGENV;PE_GA_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_GA_DEFAULT_GENCOMPILERS_GNU;PE_GA_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_GA_DEFAULT_GENCOMPS_GNU;PE_GA_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/ga/5.3.0.7/@PRGENV@/@PE_GA_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_GA_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_GA_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_GA_DEFAULT_VOLATILE_PRGENV;PE_HDF5_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_HDF5_DEFAULT_FIXED_PRGENV;PE_HDF5_DEFAULT_GENCOMPS_GNU=48\ 47 ;export PE_HDF5_DEFAULT_GENCOMPS_GNU;PE_HDF5_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/hdf5/1.8.11/@PRGENV@/@PE_HDF5_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_HDF5_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_HDF5_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_HDF5_DEFAULT_VOLATILE_PRGENV;PE_HDF5_PARALLEL_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_HDF5_PARALLEL_DEFAULT_FIXED_PRGENV;PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_GNU=48\ 47 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_GNU;PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/hdf5-parallel/1.8.11/@PRGENV@/@PE_HDF5_PARALLEL_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PRGENV;PE_INTEL_DEFAULT_FIXED_PKGCONFIG_PATH=/opt/cray/parallel-netcdf/1.7.0/INTEL/15.0/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.3.0/INTEL/130/lib/pkgconfig:/opt/cray/netcdf/4.3.0/INTEL/130/lib/pkgconfig:/opt/cray/mpt/7.5.0/gni/mpich-intel/16.0/lib/pkgconfig:/opt/cray/hdf5-parallel/1.8.11/INTEL/130/lib/pkgconfig:/opt/cray/hdf5/1.8.11/INTEL/130/lib/pkgconfig:/opt/cray/ga/5.3.0.7/INTEL/15.0/lib/pkgconfig ;export PE_INTEL_DEFAULT_FIXED_PKGCONFIG_PATH;PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_GNU_x86_64=4.9 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPS_CRAY_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPS_GNU_x86_64=49 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPS_GNU_x86_64;PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia20=nv20 ;export PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia20;PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia35=nv35 ;export PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia35;PE_LIBSCI_ACC_DEFAULT_PKGCONFIG_VARIABLES=PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_@accelerator@ ;export PE_LIBSCI_ACC_DEFAULT_PKGCONFIG_VARIABLES;PE_LIBSCI_ACC_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_LIBSCI_ACC_DEFAULT_REQUIRED_PRODUCTS;PE_LIBSCI_ACC_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci_acc/16.03.1/@PRGENV@/@PE_LIBSCI_ACC_DEFAULT_GENCOMPS@/@PE_LIBSCI_ACC_DEFAULT_TARGET@/lib/pkgconfig ;export PE_LIBSCI_ACC_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_ACC_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU ;export PE_LIBSCI_ACC_DEFAULT_VOLATILE_PRGENV;PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_mic_knl=5.1 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_mic_knl=15.0 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_GNU_mic_knl=51 ;export PE_LIBSCI_DEFAULT_GENCOMPS_GNU_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_LIBSCI_DEFAULT_GENCOMPS_GNU_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_mic_knl=150 ;export PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_LIBSCI_DEFAULT_GENCOMPS_PGI_x86_64;PE_LIBSCI_DEFAULT_OMP_REQUIRES= ;export PE_LIBSCI_DEFAULT_OMP_REQUIRES;PE_LIBSCI_DEFAULT_OMP_REQUIRES_openmp=_mp ;export PE_LIBSCI_DEFAULT_OMP_REQUIRES_openmp;PE_LIBSCI_DEFAULT_PKGCONFIG_VARIABLES=PE_LIBSCI_DEFAULT_OMP_REQUIRES_@openmp@ ;export PE_LIBSCI_DEFAULT_PKGCONFIG_VARIABLES;PE_LIBSCI_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_LIBSCI_DEFAULT_REQUIRED_PRODUCTS;PE_LIBSCI_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci/16.11.1/@PRGENV@/@PE_LIBSCI_DEFAULT_GENCOMPS@/@PE_LIBSCI_DEFAULT_TARGET@/lib/pkgconfig ;export PE_LIBSCI_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU\ INTEL\ PGI ;export PE_LIBSCI_DEFAULT_VOLATILE_PRGENV;PE_LIBSCI_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_LIBSCI_GENCOMPILERS_CRAY_mic_knl;PE_LIBSCI_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_GENCOMPILERS_GNU_mic_knl=5.1 ;export PE_LIBSCI_GENCOMPILERS_GNU_mic_knl;PE_LIBSCI_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_LIBSCI_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_GENCOMPILERS_INTEL_mic_knl=15.0 ;export PE_LIBSCI_GENCOMPILERS_INTEL_mic_knl;PE_LIBSCI_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_LIBSCI_GENCOMPILERS_INTEL_x86_64;PE_LIBSCI_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_LIBSCI_GENCOMPILERS_PGI_x86_64;PE_LIBSCI_GENCOMPS_CRAY_mic_knl=85 ;export PE_LIBSCI_GENCOMPS_CRAY_mic_knl;PE_LIBSCI_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_GENCOMPS_CRAY_x86_64;PE_LIBSCI_GENCOMPS_GNU_mic_knl=51 ;export PE_LIBSCI_GENCOMPS_GNU_mic_knl;PE_LIBSCI_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_LIBSCI_GENCOMPS_GNU_x86_64;PE_LIBSCI_GENCOMPS_INTEL_mic_knl=150 ;export PE_LIBSCI_GENCOMPS_INTEL_mic_knl;PE_LIBSCI_GENCOMPS_INTEL_x86_64=150 ;export PE_LIBSCI_GENCOMPS_INTEL_x86_64;PE_LIBSCI_GENCOMPS_PGI_x86_64=153 ;export PE_LIBSCI_GENCOMPS_PGI_x86_64;PE_LIBSCI_MODULE_NAME=cray-libsci/16.11.1 ;export PE_LIBSCI_MODULE_NAME;PE_LIBSCI_OMP_REQUIRES= ;export PE_LIBSCI_OMP_REQUIRES;PE_LIBSCI_OMP_REQUIRES_openmp=_mp ;export PE_LIBSCI_OMP_REQUIRES_openmp;PE_LIBSCI_PKGCONFIG_LIBS=libsci_mpi:libsci ;export PE_LIBSCI_PKGCONFIG_LIBS;PE_LIBSCI_PKGCONFIG_VARIABLES=PE_LIBSCI_OMP_REQUIRES_@openmp@ ;export PE_LIBSCI_PKGCONFIG_VARIABLES;PE_LIBSCI_REQUIRED_PRODUCTS=PE_MPICH ;export PE_LIBSCI_REQUIRED_PRODUCTS;PE_LIBSCI_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci/16.11.1/@PRGENV@/@PE_LIBSCI_GENCOMPS@/@PE_LIBSCI_TARGET@/lib/pkgconfig ;export PE_LIBSCI_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_VOLATILE_PRGENV=CRAY\ GNU\ INTEL\ PGI ;export PE_LIBSCI_VOLATILE_PRGENV;PE_MPICH_CXX_PKGCONFIG_LIBS=mpichcxx ;export PE_MPICH_CXX_PKGCONFIG_LIBS;PE_MPICH_DEFAULT_DIR_CRAY_DEFAULT64=64 ;export PE_MPICH_DEFAULT_DIR_CRAY_DEFAULT64;PE_MPICH_DEFAULT_DIR_PGI_DEFAULT64=64 ;export PE_MPICH_DEFAULT_DIR_PGI_DEFAULT64;PE_MPICH_DEFAULT_FIXED_PRGENV=INTEL ;export PE_MPICH_DEFAULT_FIXED_PRGENV;PE_MPICH_DEFAULT_GENCOMPILERS_CRAY=8.4 ;export PE_MPICH_DEFAULT_GENCOMPILERS_CRAY;PE_MPICH_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_MPICH_DEFAULT_GENCOMPILERS_GNU;PE_MPICH_DEFAULT_GENCOMPILERS_PGI=15.3 ;export PE_MPICH_DEFAULT_GENCOMPILERS_PGI;PE_MPICH_DEFAULT_GENCOMPS_CRAY=84 ;export PE_MPICH_DEFAULT_GENCOMPS_CRAY;PE_MPICH_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_MPICH_DEFAULT_GENCOMPS_GNU;PE_MPICH_DEFAULT_GENCOMPS_PGI=153 ;export PE_MPICH_DEFAULT_GENCOMPS_PGI;PE_MPICH_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/mpich-@PRGENV@@PE_MPICH_DEFAULT_DIR_DEFAULT64@/@PE_MPICH_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_MPICH_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_MPICH_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU\ PGI ;export PE_MPICH_DEFAULT_VOLATILE_PRGENV;PE_MPICH_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_MPICH_FORTRAN_PKGCONFIG_LIBS;PE_MPICH_MODULE_NAME=cray-mpich ;export PE_MPICH_MODULE_NAME;PE_MPICH_MULTITHREADED_LIBS_multithreaded=_mt ;export PE_MPICH_MULTITHREADED_LIBS_multithreaded;PE_MPICH_NV_LIBS= ;export PE_MPICH_NV_LIBS;PE_MPICH_NV_LIBS_nvidia20=-lcudart ;export PE_MPICH_NV_LIBS_nvidia20;PE_MPICH_NV_LIBS_nvidia35=-lcudart ;export PE_MPICH_NV_LIBS_nvidia35;PE_MPICH_PKGCONFIG_LIBS=mpich ;export PE_MPICH_PKGCONFIG_LIBS;PE_MPICH_PKGCONFIG_VARIABLES=PE_MPICH_NV_LIBS_@accelerator@:PE_MPICH_MULTITHREADED_LIBS_@multithreaded@ ;export PE_MPICH_PKGCONFIG_VARIABLES;PE_MPICH_TARGET_VAR_nvidia20=-lcudart ;export PE_MPICH_TARGET_VAR_nvidia20;PE_MPICH_TARGET_VAR_nvidia35=-lcudart ;export PE_MPICH_TARGET_VAR_nvidia35;PE_NETCDF_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_NETCDF_DEFAULT_FIXED_PRGENV;PE_NETCDF_DEFAULT_GENCOMPS_GNU=48\ 47 ;export PE_NETCDF_DEFAULT_GENCOMPS_GNU;PE_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/netcdf/4.3.0/@PRGENV@/@PE_NETCDF_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_NETCDF_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_NETCDF_DEFAULT_VOLATILE_PRGENV;PE_NETCDF_HDF5PARALLEL_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_FIXED_PRGENV;PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPS_GNU=48\ 47 ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPS_GNU;PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/netcdf-hdf5parallel/4.3.0/@PRGENV@/@PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PRGENV;PE_PAPI_DEFAULT_ACCEL_LIBS= ;export PE_PAPI_DEFAULT_ACCEL_LIBS;PE_PAPI_DEFAULT_ACCEL_LIBS_nvidia35=,-lcupti,-lcudart,-lcuda ;export PE_PAPI_DEFAULT_ACCEL_LIBS_nvidia35;PE_PAPI_DEFAULT_PKGCONFIG_VARIABLES=PE_PAPI_ACCEL_LIBS_@accelerator@ ;export PE_PAPI_DEFAULT_PKGCONFIG_VARIABLES;PE_PAPI_DEFAULT_TARGET_VAR_nvidia35=,-lcupti,-lcudart,-lcuda ;export PE_PAPI_DEFAULT_TARGET_VAR_nvidia35;PE_PARALLEL_NETCDF_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_PARALLEL_NETCDF_DEFAULT_FIXED_PRGENV;PE_PARALLEL_NETCDF_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_PARALLEL_NETCDF_DEFAULT_GENCOMPILERS_GNU;PE_PARALLEL_NETCDF_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_PARALLEL_NETCDF_DEFAULT_GENCOMPS_GNU;PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/parallel-netcdf/1.7.0/@PRGENV@/@PE_PARALLEL_NETCDF_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PRGENV;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_haswell=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_interlagos=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_sandybridge=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_haswell=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_interlagos=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_sandybridge=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_haswell=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_interlagos=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_sandybridge=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_PGI_interlagos=15.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_PGI_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_PETSC_DEFAULT_GENCOMPS_CRAY_haswell=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_haswell;PE_PETSC_DEFAULT_GENCOMPS_CRAY_interlagos=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_interlagos;PE_PETSC_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_PETSC_DEFAULT_GENCOMPS_CRAY_sandybridge=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_x86_64;PE_PETSC_DEFAULT_GENCOMPS_GNU_haswell=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_haswell;PE_PETSC_DEFAULT_GENCOMPS_GNU_interlagos=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_interlagos;PE_PETSC_DEFAULT_GENCOMPS_GNU_sandybridge=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_x86_64;PE_PETSC_DEFAULT_GENCOMPS_INTEL_haswell=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_haswell;PE_PETSC_DEFAULT_GENCOMPS_INTEL_interlagos=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_interlagos;PE_PETSC_DEFAULT_GENCOMPS_INTEL_sandybridge=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_x86_64;PE_PETSC_DEFAULT_GENCOMPS_PGI_interlagos=153 ;export PE_PETSC_DEFAULT_GENCOMPS_PGI_interlagos;PE_PETSC_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_PETSC_DEFAULT_GENCOMPS_PGI_x86_64;PE_PETSC_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI:PE_HDF5_PARALLEL:PE_TPSL ;export PE_PETSC_DEFAULT_REQUIRED_PRODUCTS;PE_PETSC_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/petsc/3.7.2.1/complex/@PRGENV@/@PE_PETSC_DEFAULT_GENCOMPS@/@PE_PETSC_DEFAULT_TARGET@/lib/pkgconfig ;export PE_PETSC_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_PETSC_DEFAULT_VOLATILE_PRGENV=CRAY\ CRAY64\ GNU\ GNU64\ INTEL\ INTEL64\ PGI\ PGI64 ;export PE_PETSC_DEFAULT_VOLATILE_PRGENV;PE_PGI_DEFAULT_FIXED_PKGCONFIG_PATH=/opt/cray/parallel-netcdf/1.7.0/PGI/15.3/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.3.0/PGI/121/lib/pkgconfig:/opt/cray/netcdf/4.3.0/PGI/121/lib/pkgconfig:/opt/cray/hdf5-parallel/1.8.11/PGI/121/lib/pkgconfig:/opt/cray/hdf5/1.8.11/PGI/121/lib/pkgconfig:/opt/cray/ga/5.3.0.7/PGI/15.3/lib/pkgconfig ;export PE_PGI_DEFAULT_FIXED_PKGCONFIG_PATH;PE_PKGCONFIG_DEFAULT_PRODUCTS=PE_TRILINOS:PE_TPSL_64:PE_TPSL:PE_PETSC:PE_PARALLEL_NETCDF:PE_NETCDF_HDF5PARALLEL:PE_NETCDF:PE_MPICH:PE_LIBSCI_ACC:PE_LIBSCI:PE_HDF5_PARALLEL:PE_HDF5:PE_GA:PE_FFTW:PE_ACML ;export PE_PKGCONFIG_DEFAULT_PRODUCTS;PE_PKGCONFIG_LIBS=AtpSigHandler:cray-rca:libsci_mpi:libsci:darshan-runtime:mpich ;export PE_PKGCONFIG_LIBS;PE_PKGCONFIG_PRODUCTS=PE_LIBSCI:PE_MPICH ;export PE_PKGCONFIG_PRODUCTS;PE_PKGCONFIG_PRODUCTS_DEFAULT=PE_PAPI ;export PE_PKGCONFIG_PRODUCTS_DEFAULT;PE_PKG_CONFIG_PATH=/opt/cray/cti/1.0.4/lib/pkgconfig ;export PE_PKG_CONFIG_PATH;PE_PRODUCT_LIST=CRAY_RCA:CRAY_ALPS:DVS:CRAY_XPMEM:CRAY_DMAPP:CRAY_PMI:CRAY_UGNI:CRAY_UDREG:CRAY_LIBSCI:GNU:GCC:CRAYPE:CRAYPE_INTERLAGOS ;export PE_PRODUCT_LIST;PE_SMA_DEFAULT_COMPFLAG= ;export PE_SMA_DEFAULT_COMPFLAG;PE_SMA_DEFAULT_COMPFLAG_GNU=-fcray-pointer ;export PE_SMA_DEFAULT_COMPFLAG_GNU;PE_SMA_DEFAULT_DIR_CRAY_DEFAULT64=64 ;export PE_SMA_DEFAULT_DIR_CRAY_DEFAULT64;PE_SMA_DEFAULT_DIR_PGI_DEFAULT64=64 ;export PE_SMA_DEFAULT_DIR_PGI_DEFAULT64;PE_SMA_DEFAULT_PKGCONFIG_VARIABLES=PE_SMA_COMPFLAG_@prgenv@ ;export PE_SMA_DEFAULT_PKGCONFIG_VARIABLES;PE_SMA_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/sma@PE_SMA_DEFAULT_DIR_DEFAULT64@/lib64/pkgconfig ;export PE_SMA_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_haswell=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_haswell;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_interlagos=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_sandybridge=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_haswell=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_haswell;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_interlagos=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_sandybridge=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_haswell=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_haswell;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_interlagos=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_sandybridge=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_interlagos=15.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_haswell=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_haswell;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_interlagos=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_sandybridge=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_haswell=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_haswell;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_interlagos=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_sandybridge=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_haswell=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_haswell;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_interlagos=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_sandybridge=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_PGI_interlagos=153 ;export PE_TPSL_64_DEFAULT_GENCOMPS_PGI_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_TPSL_64_DEFAULT_GENCOMPS_PGI_x86_64;PE_TPSL_64_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_TPSL_64_DEFAULT_REQUIRED_PRODUCTS;PE_TPSL_64_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/tpsl/16.07.1/@PRGENV@64/@PE_TPSL_64_DEFAULT_GENCOMPS@/@PE_TPSL_64_DEFAULT_TARGET@/lib/pkgconfig ;export PE_TPSL_64_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TPSL_64_DEFAULT_VOLATILE_PRGENV=CRAY\ CRAY64\ GNU\ GNU64\ INTEL\ INTEL64\ PGI\ PGI64 ;export PE_TPSL_64_DEFAULT_VOLATILE_PRGENV;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_haswell=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_haswell;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_interlagos=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_sandybridge=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_sandybridge;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_haswell=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_haswell;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_interlagos=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_sandybridge=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_sandybridge;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_haswell=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_haswell;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_interlagos=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_sandybridge=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_sandybridge;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_TPSL_DEFAULT_GENCOMPILERS_PGI_interlagos=15.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_PGI_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_TPSL_DEFAULT_GENCOMPS_CRAY_haswell=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_haswell;PE_TPSL_DEFAULT_GENCOMPS_CRAY_interlagos=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_interlagos;PE_TPSL_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_TPSL_DEFAULT_GENCOMPS_CRAY_sandybridge=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_sandybridge;PE_TPSL_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_x86_64;PE_TPSL_DEFAULT_GENCOMPS_GNU_haswell=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_haswell;PE_TPSL_DEFAULT_GENCOMPS_GNU_interlagos=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_interlagos;PE_TPSL_DEFAULT_GENCOMPS_GNU_sandybridge=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_sandybridge;PE_TPSL_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_x86_64;PE_TPSL_DEFAULT_GENCOMPS_INTEL_haswell=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_haswell;PE_TPSL_DEFAULT_GENCOMPS_INTEL_interlagos=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_interlagos;PE_TPSL_DEFAULT_GENCOMPS_INTEL_sandybridge=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_sandybridge;PE_TPSL_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_x86_64;PE_TPSL_DEFAULT_GENCOMPS_PGI_interlagos=153 ;export PE_TPSL_DEFAULT_GENCOMPS_PGI_interlagos;PE_TPSL_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_TPSL_DEFAULT_GENCOMPS_PGI_x86_64;PE_TPSL_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_TPSL_DEFAULT_REQUIRED_PRODUCTS;PE_TPSL_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/tpsl/16.07.1/@PRGENV@/@PE_TPSL_DEFAULT_GENCOMPS@/@PE_TPSL_DEFAULT_TARGET@/lib/pkgconfig ;export PE_TPSL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TPSL_DEFAULT_VOLATILE_PRGENV=CRAY\ CRAY64\ GNU\ GNU64\ INTEL\ INTEL64\ PGI\ PGI64 ;export PE_TPSL_DEFAULT_VOLATILE_PRGENV;PE_TRILINOS_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.5 ;export PE_TRILINOS_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_TRILINOS_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_TRILINOS_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_TRILINOS_DEFAULT_GENCOMPS_CRAY_x86_64=85 ;export PE_TRILINOS_DEFAULT_GENCOMPS_CRAY_x86_64;PE_TRILINOS_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_TRILINOS_DEFAULT_GENCOMPS_GNU_x86_64;PE_TRILINOS_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_HDF5_PARALLEL:PE_NETCDF_HDF5PARALLEL:PE_LIBSCI:PE_TPSL ;export PE_TRILINOS_DEFAULT_REQUIRED_PRODUCTS;PE_TRILINOS_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/trilinos/12.6.3.3/@PRGENV@/@PE_TRILINOS_DEFAULT_GENCOMPS@/@PE_TRILINOS_DEFAULT_TARGET@/lib/pkgconfig ;export PE_TRILINOS_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TRILINOS_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU ;export PE_TRILINOS_DEFAULT_VOLATILE_PRGENV;PKGCONFIG_ENABLED=1 ;export PKGCONFIG_ENABLED;PKG_CONFIG_PATH=/sw/xe/darshan/3.1.3/darshan-3.1.3/lib/pkgconfig:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64/pkgconfig:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64/pkgconfig:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64/pkgconfig:/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/lib64/pkgconfig:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64/pkgconfig:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64/pkgconfig:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64/pkgconfig:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64/pkgconfig:/opt/cray/craype/2.5.8/pkg-config:/opt/cray/iobuf/2.0.7/lib/pkgconfig:/opt/cray/atp/2.0.4/lib/pkgconfig ;export PKG_CONFIG_PATH;PKG_CONFIG_PATH_DEFAULT=/opt/cray/papi/5.5.0.1/lib64/pkgconfig ;export PKG_CONFIG_PATH_DEFAULT;SHMEM_ABORT_ON_ERROR=1 ;export SHMEM_ABORT_ON_ERROR;XTOS_VERSION=5.2.82 ;export XTOS_VERSION;XTPE_NETWORK_TARGET=gemini ;export XTPE_NETWORK_TARGET;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0module swap gcc gcc/4.9.3 module load boost module load cmake/3.1.3 module load fftw export CRAYPE_LINK_TYPE=dynamic export CRAY_ADD_RPATH=yes # install openbabel library cd $INSTDIR wget http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz --2017-03-29 08:59:03-- http://downloads.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz Resolving downloads.sourceforge.net... 216.34.181.59 Connecting to downloads.sourceforge.net|216.34.181.59|:80... connected. HTTP request sent, awaiting response... 302 Found Location: https://pilotfiber.dl.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz [following] --2017-03-29 08:59:03-- https://pilotfiber.dl.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz Resolving pilotfiber.dl.sourceforge.net... 69.12.26.12 Connecting to pilotfiber.dl.sourceforge.net|69.12.26.12|:443... connected. HTTP request sent, awaiting response... 200 OK Length: 20509105 (20M) [application/x-gzip] Saving to: `openbabel-2.3.2.tar.gz' 0K .......... .......... .......... .......... .......... 0% 608K 33s 50K .......... .......... .......... .......... .......... 0% 1.04M 26s 100K .......... .......... .......... .......... .......... 0% 2.07M 20s 150K .......... .......... .......... .......... .......... 0% 1.05M 20s 200K .......... .......... .......... .......... .......... 1% 2.09M 18s 250K .......... .......... .......... .......... .......... 1% 2.09M 16s 300K .......... .......... .......... .......... .......... 1% 2.09M 15s 350K .......... .......... .......... .......... .......... 1% 66.0M 13s 400K .......... .......... .......... .......... .......... 2% 2.09M 13s 450K .......... .......... .......... .......... .......... 2% 2.11M 12s 500K .......... .......... ........:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.8/modulefiles/craype-interlagos:/opt/cray/craype/2.5.8/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.8:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/modulefiles/torque/6.0.3:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/darshan/3.1.3:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.11.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.4:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82 ;export _LMFILES_;unset ASSEMBLER_X86_64;unset CC_X86_64;unset CRAYLIBS_X86_64;unset CRAYLMD_LICENSE_FILE;unset CRAY_BINUTILS_BIN;unset CRAY_BINUTILS_ROOT;unset CRAY_BINUTILS_VERSION;unset CRAY_CC_VERSION;unset CRAY_CXX_IPA_LIBS;unset CRAY_FTN_VERSION;unset CRAY_PE_TARGET;unset CRAY_PRGENVCRAY;unset FORTRAN_SYSTEM_MODULE_NAMES;unset FTN_X86_64;unset GCC_X86_64;unset INCLUDE_PATH_X86_64;unset LINKER_X86_64;unset NLSPATH;unset PE_LEVEL; ${MODULESHOME}/bin/modulecmd bash $* GCC_PATH=/opt/gcc/4.9.3 ;export GCC_PATH;GCC_VERSION=4.9.3 ;export GCC_VERSION;GNU_VERSION=4.9.3 ;export GNU_VERSION;INFOPATH=/opt/gcc/4.9.3/snos/share/info:/usr/local/info:/usr/share/info:/usr/info ;export INFOPATH;LD_LIBRARY_PATH=/opt/gcc/4.9.3/snos/lib64:/sw/xe/darshan/3.1.3/darshan-3.1.3/lib:/usr/local/globus-5.2.5/lib64:/usr/local/globus/lib64 ;export LD_LIBRARY_PATH;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-interlagos:craype-network-gemini:craype/2.5.8:cray-mpich/7.5.0:torque/6.0.3:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/3.1.3:scripts:user-paths:xalt/0.7.6:cray-libsci/16.11.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.4:PrgEnv-gnu/5.2.82 ;export LOADEDMODULES;MANPATH=/opt/cray/atp/2.0.4/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.11.1/man:/opt/cray/man/csmlversion:/opt/gcc/4.9.3/snos/share/man:/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t2/share/man/:/opt/torque/6.0.3/share/man:/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/craype/2.5.8/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;PATH=/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/gcc/4.9.3/bin:/opt/cray/craype/2.5.8/bin:/sbin:/usr/sbin:/bin:/usr/bin:/opt/cray/bin ;export PATH;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.8/modulefiles/craype-interlagos:/opt/cray/craype/2.5.8/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.8:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/modulefiles/torque/6.0.3:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/darshan/3.1.3:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.11.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.4:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82 ;export _LMFILES_; ${MODULESHOME}/bin/modulecmd bash $* BOOST_ROOT=/sw/xe/boost/1.53.0/sles11.3_gnu4.8.2 ;export BOOST_ROOT;CRAY_BOOST_DIR=/sw/xe/boost/1.53.0 ;export CRAY_BOOST_DIR;CRAY_BOOST_INCLUDE_OPTS=-I/sw/xe/boost/1.53.0/sles11.3_gnu4.8.2/include ;export CRAY_BOOST_INCLUDE_OPTS;CRAY_BOOST_POST_LINK_OPTS=-L/sw/xe/boost/1.53.0/sles11.3_gnu4.8.2/lib ;export CRAY_BOOST_POST_LINK_OPTS;CRAY_BOOST_VERSION=1.53.0 ;export CRAY_BOOST_VERSION;LD_LIBRARY_PATH=/sw/xe/boost/1.53.0/sles11.3_gnu4.8.2/lib:/opt/gcc/4.9.3/snos/lib64:/sw/xe/darshan/3.1.3/darshan-3.1.3/lib:/usr/local/globus-5.2.5/lib64:/usr/local/globus/lib64 ;export LD_LIBRARY_PATH;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-interlagos:craype-network-gemini:craype/2.5.8:cray-mpich/7.5.0:torque/6.0.3:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/3.1.3:scripts:user-paths:xalt/0.7.6:cray-libsci/16.11.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.4:PrgEnv-gnu/5.2.82:boost/1.53.0 ;export LOADEDMODULES;PE_PRODUCT_LIST=CRAY_RCA:CRAY_ALPS:DVS:CRAY_XPMEM:CRAY_DMAPP:CRAY_PMI:CRAY_UGNI:CRAY_UDREG:CRAY_LIBSCI:GNU:GCC:CRAYPE:CRAYPE_INTERLAGOS:CRAY_BOOST ;export PE_PRODUCT_LIST;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.8/modulefiles/craype-interlagos:/opt/cray/craype/2.5.8/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.8:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/modulefiles/torque/6.0.3:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/darshan/3.1.3:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.11.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.4:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82:/sw/xe/modulefiles/boost/1.53.0 ;export _LMFILES_; ${MODULESHOME}/bin/modulecmd bash $* LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-interlagos:craype-network-gemini:craype/2.5.8:cray-mpich/7.5.0:torque/6.0.3:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/3.1.3:scripts:user-paths:xalt/0.7.6:cray-libsci/16.11.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.4:PrgEnv-gnu/5.2.82:boost/1.53.0:cmake/3.1.3 ;export LOADEDMODULES;PATH=/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/bin:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/gcc/4.9.3/bin:/opt/cray/craype/2.5.8/bin:/sbin:/usr/sbin:/bin:/usr/bin:/opt/cray/bin ;export PATH;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.8/modulefiles/craype-interlagos:/opt/cray/craype/2.5.8/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.8:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/modulefiles/torque/6.0.3:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/darshan/3.1.3:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.11.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.4:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82:/sw/xe/modulefiles/boost/1.53.0:/sw/xe/modulefiles/cmake/3.1.3 ;export _LMFILES_; ${MODULESHOME}/bin/modulecmd bash $* CRAY_FFTW_VERSION=3.3.4.10 ;export CRAY_FFTW_VERSION;CRAY_LD_LIBRARY_PATH=/opt/cray/fftw/3.3.4.10/interlagos/lib:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64:/opt/cray/libsci/16.11.1/GNU/4.9/x86_64/lib:/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib ;export CRAY_LD_LIBRARY_PATH;FFTW_DIR=/opt/cray/fftw/3.3.4.10/interlagos/lib ;export FFTW_DIR;FFTW_INC=/opt/cray/fftw/3.3.4.10/interlagos/include ;export FFTW_INC;FFTW_VERSION=3.3.4.10 ;export FFTW_VERSION;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-interlagos:craype-network-gemini:craype/2.5.8:cray-mpich/7.5.0:torque/6.0.3:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/3.1.3:scripts:user-paths:xalt/0.7.6:cray-libsci/16.11.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.4:PrgEnv-gnu/5.2.82:boost/1.53.0:cmake/3.1.3:fftw/3.3.4.10 ;export LOADEDMODULES;MANPATH=/opt/cray/fftw/3.3.4.10/share/man:/opt/cray/atp/2.0.4/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.11.1/man:/opt/cray/man/csmlversion:/opt/gcc/4.9.3/snos/share/man:/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t2/share/man/:/opt/torque/6.0.3/share/man:/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/craype/2.5.8/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;PATH=/opt/cray/fftw/3.3.4.10/interlagos/bin:/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/bin:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/gcc/4.9.3/bin:/opt/cray/craype/2.5.8/bin:/sbin:/usr/sbin:/bin:/usr/bin:/opt/cray/bin ;export PATH;PE_FFTW_OMP_REQUIRES=\ ;export PE_FFTW_OMP_REQUIRES;PE_FFTW_OMP_REQUIRES_openmp=_mp ;export PE_FFTW_OMP_REQUIRES_openmp;PE_FFTW_PKGCONFIG_LIBS=fftw3f_mpi:libfftw3f_threads:fftw3f:fftw3_mpi:libfftw3_threads:fftw3 ;export PE_FFTW_PKGCONFIG_LIBS;PE_FFTW_PKGCONFIG_VARIABLES=PE_FFTW_OMP_REQUIRES_@openmp@ ;export PE_FFTW_PKGCONFIG_VARIABLES;PE_FFTW_REQUIRED_PRODUCTS=PE_MPICH ;export PE_FFTW_REQUIRED_PRODUCTS;PE_FFTW_TARGET_abudhabi=abudhabi ;export PE_FFTW_TARGET_abudhabi;PE_FFTW_TARGET_broadwell=broadwell ;export PE_FFTW_TARGET_broadwell;PE_FFTW_TARGET_haswell=haswell ;export PE_FFTW_TARGET_haswell;PE_FFTW_TARGET_interlagos=interlagos ;export PE_FFTW_TARGET_interlagos;PE_FFTW_TARGET_ivybridge=ivybridge ;export PE_FFTW_TARGET_ivybridge;PE_FFTW_TARGET_mic_knl=mic_knl ;export PE_FFTW_TARGET_mic_knl;PE_FFTW_TARGET_sandybridge=sandybridge ;export PE_FFTW_TARGET_sandybridge;PE_FFTW_TARGET_share=share ;export PE_FFTW_TARGET_share;PE_FFTW_TARGET_x86_64=x86_64 ;export PE_FFTW_TARGET_x86_64;PE_FFTW_VOLATILE_PKGCONFIG_PATH=/opt/cray/fftw/3.3.4.10/@PE_FFTW_TARGET@/lib/pkgconfig ;export PE_FFTW_VOLATILE_PKGCONFIG_PATH;PE_PKGCONFIG_PRODUCTS=PE_FFTW:PE_LIBSCI:PE_MPICH ;export PE_PKGCONFIG_PRODUCTS;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.8/modulefiles/craype-interlagos:/opt/cray/craype/2.5.8/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.8:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/modulefiles/torque/6.0.3:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/darshan/3.1.3:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.11.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.4:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82:/sw/xe/modulefiles/boost/1.53.0:/sw/xe/modulefiles/cmake/3.1.3:/opt/cray/modulefiles/fftw/3.3.4.10 ;export _LMFILES_; .. .......... .......... 2% 2.11M 12s 550K .......... .......... .......... .......... .......... 2% 80.2M 11s 600K .......... .......... .......... .......... .......... 3% 2.12M 11s 650K .......... .......... .......... .......... .......... 3% 80.1M 10s 700K .......... .......... .......... .......... .......... 3% 2.13M 10s 750K .......... .......... .......... .......... .......... 3% 78.7M 9s 800K .......... .......... .......... .......... .......... 4% 2.12M 9s 850K .......... .......... .......... .......... .......... 4% 84.3M 9s 900K .......... .......... .......... .......... .......... 4% 2.16M 9s 950K .......... .......... .......... .......... .......... 4% 83.9M 8s 1000K .......... .......... .......... .......... .......... 5% 2.15M 8s 1050K .......... .......... .......... .......... .......... 5% 85.8M 8s 1100K .......... .......... .......... .......... .......... 5% 86.3M 8s 1150K .......... .......... .......... .......... .......... 5% 2.17M 8s 1200K .......... .......... .......... .......... .......... 6% 65.0M 7s 1250K .......... .......... .......... .......... .......... 6% 2.21M 7s 1300K .......... .......... .......... .......... .......... 6% 51.6M 7s 1350K .......... .......... .......... .......... .......... 6% 78.8M 7s 1400K .......... .......... .......... .......... .......... 7% 2.24M 7s 1450K .......... .......... .......... .......... .......... 7% 55.9M 7s 1500K .......... .......... .......... .......... .......... 7% 84.2M 6s 1550K .......... .......... .......... .......... .......... 7% 2.22M 6s 1600K .......... .......... .......... .......... .......... 8% 49.4M 6s 1650K .......... .......... .......... .......... .......... 8% 82.8M 6s 1700K .......... .......... .......... .......... .......... 8% 89.0M 6s 1750K .......... .......... .......... .......... .......... 8% 2.22M 6s 1800K .......... .......... .......... .......... .......... 9% 84.1M 6s 1850K .......... .......... .......... .......... 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.......... .......... .......... .......... .......... 19% 85.1M 3s 3950K .......... .......... .......... .......... .......... 19% 89.5M 3s 4000K .......... .......... .......... .......... .......... 20% 70.6M 3s 4050K .......... .......... .......... .......... .......... 20% 2.48M 3s 4100K .......... .......... .......... .......... .......... 20% 63.6M 3s 4150K .......... .......... .......... .......... .......... 20% 74.3M 3s 4200K .......... .......... .......... .......... .......... 21% 75.0M 3s 4250K .......... .......... .......... .......... .......... 21% 74.3M 3s 4300K .......... .......... .......... .......... .......... 21% 90.2M 3s 4350K .......... .......... .......... .......... .......... 21% 90.9M 3s 4400K .......... .......... .......... .......... .......... 22% 2.49M 3s 4450K .......... .......... .......... .......... .......... 22% 64.2M 3s 4500K .......... .......... .......... .......... .......... 22% 77.9M 3s 4550K .......... .......... .......... 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5250K .......... .......... .......... .......... .......... 26% 79.4M 2s 5300K .......... .......... .......... .......... .......... 26% 88.4M 2s 5350K .......... .......... .......... .......... .......... 26% 83.0M 2s 5400K .......... .......... .......... .......... .......... 27% 84.6M 2s 5450K .......... .......... .......... .......... .......... 27% 70.3M 2s 5500K .......... .......... .......... .......... .......... 27% 96.9M 2s 5550K .......... .......... .......... .......... .......... 27% 94.1M 2s 5600K .......... .......... .......... .......... .......... 28% 72.7M 2s 5650K .......... .......... .......... .......... .......... 28% 2.58M 2s 5700K .......... .......... .......... .......... .......... 28% 81.8M 2s 5750K .......... .......... .......... .......... .......... 28% 78.8M 2s 5800K .......... .......... .......... .......... .......... 29% 78.9M 2s 5850K .......... .......... .......... .......... .......... 29% 83.7M 2s 5900K .......... .......... .......... 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openbabel-2.3.2/doc/API/html/search/functions_65.html openbabel-2.3.2/doc/API/html/search/functions_66.html openbabel-2.3.2/doc/API/html/search/functions_67.html openbabel-2.3.2/doc/API/html/search/functions_68.html openbabel-2.3.2/doc/API/html/search/functions_69.html openbabel-2.3.2/doc/API/html/search/functions_6a.html openbabel-2.3.2/doc/API/html/search/functions_6b.html openbabel-2.3.2/doc/API/html/search/functions_6c.html openbabel-2.3.2/doc/API/html/search/functions_6d.html openbabel-2.3.2/doc/API/html/search/functions_6e.html openbabel-2.3.2/doc/API/html/search/functions_6f.html openbabel-2.3.2/doc/API/html/search/functions_70.html openbabel-2.3.2/doc/API/html/search/functions_71.html openbabel-2.3.2/doc/API/html/search/functions_72.html openbabel-2.3.2/doc/API/html/search/functions_73.html openbabel-2.3.2/doc/API/html/search/functions_74.html openbabel-2.3.2/doc/API/html/search/functions_75.html openbabel-2.3.2/doc/API/html/search/functions_76.html openbabel-2.3.2/doc/API/html/search/functions_77.html openbabel-2.3.2/doc/API/html/search/functions_78.html openbabel-2.3.2/doc/API/html/search/functions_79.html openbabel-2.3.2/doc/API/html/search/functions_7a.html openbabel-2.3.2/doc/API/html/search/functions_7e.html openbabel-2.3.2/doc/API/html/search/mag_sel.png openbabel-2.3.2/doc/API/html/search/namespaces_62.html openbabel-2.3.2/doc/API/html/search/namespaces_6f.html openbabel-2.3.2/doc/API/html/search/namespaces_73.html openbabel-2.3.2/doc/API/html/search/namespaces_74.html openbabel-2.3.2/doc/API/html/search/nomatches.html openbabel-2.3.2/doc/API/html/search/related_6f.html openbabel-2.3.2/doc/API/html/search/search.css openbabel-2.3.2/doc/API/html/search/search.js openbabel-2.3.2/doc/API/html/search/search_l.png openbabel-2.3.2/doc/API/html/search/search_m.png openbabel-2.3.2/doc/API/html/search/search_r.png openbabel-2.3.2/doc/API/html/search/typedefs_61.html openbabel-2.3.2/doc/API/html/search/typedefs_62.html openbabel-2.3.2/doc/API/html/search/typedefs_63.html openbabel-2.3.2/doc/API/html/search/typedefs_64.html openbabel-2.3.2/doc/API/html/search/typedefs_65.html openbabel-2.3.2/doc/API/html/search/typedefs_66.html openbabel-2.3.2/doc/API/html/search/typedefs_69.html openbabel-2.3.2/doc/API/html/search/typedefs_6b.html openbabel-2.3.2/doc/API/html/search/typedefs_6c.html openbabel-2.3.2/doc/API/html/search/typedefs_6d.html openbabel-2.3.2/doc/API/html/search/typedefs_6e.html openbabel-2.3.2/doc/API/html/search/typedefs_6f.html openbabel-2.3.2/doc/API/html/search/typedefs_70.html openbabel-2.3.2/doc/API/html/search/typedefs_72.html openbabel-2.3.2/doc/API/html/search/typedefs_73.html openbabel-2.3.2/doc/API/html/search/typedefs_74.html openbabel-2.3.2/doc/API/html/search/typedefs_76.html openbabel-2.3.2/doc/API/html/search/typedefs_77.html openbabel-2.3.2/doc/API/html/search/variables_5f.html openbabel-2.3.2/doc/API/html/search/variables_61.html openbabel-2.3.2/doc/API/html/search/variables_62.html openbabel-2.3.2/doc/API/html/search/variables_63.html openbabel-2.3.2/doc/API/html/search/variables_64.html openbabel-2.3.2/doc/API/html/search/variables_65.html openbabel-2.3.2/doc/API/html/search/variables_66.html openbabel-2.3.2/doc/API/html/search/variables_67.html openbabel-2.3.2/doc/API/html/search/variables_68.html openbabel-2.3.2/doc/API/html/search/variables_69.html openbabel-2.3.2/doc/API/html/search/variables_6c.html openbabel-2.3.2/doc/API/html/search/variables_6d.html openbabel-2.3.2/doc/API/html/search/variables_6e.html openbabel-2.3.2/doc/API/html/search/variables_6f.html openbabel-2.3.2/doc/API/html/search/variables_70.html openbabel-2.3.2/doc/API/html/search/variables_71.html openbabel-2.3.2/doc/API/html/search/variables_72.html openbabel-2.3.2/doc/API/html/search/variables_73.html openbabel-2.3.2/doc/API/html/search/variables_74.html openbabel-2.3.2/doc/API/html/search/variables_76.html openbabel-2.3.2/doc/API/html/search/variables_77.html openbabel-2.3.2/doc/API/html/search/variables_78.html openbabel-2.3.2/doc/API/html/search/variables_79.html openbabel-2.3.2/doc/API/html/search/variables_7a.html openbabel-2.3.2/data/aromatic.h openbabel-2.3.2/data/aromatic.txt openbabel-2.3.2/data/atomtyp.h openbabel-2.3.2/data/atomtyp.txt openbabel-2.3.2/data/babel_povray3.inc openbabel-2.3.2/data/bin2hex.pl openbabel-2.3.2/data/bondtyp.h openbabel-2.3.2/data/bondtyp.txt openbabel-2.3.2/data/CMakeLists.txt openbabel-2.3.2/data/element.h openbabel-2.3.2/data/element.txt openbabel-2.3.2/data/fragments.txt openbabel-2.3.2/data/gaff.dat openbabel-2.3.2/data/gaff.prm cd openbabel-2.3.2/ mkdir build cd build/ cmake -DCMAKE_INSTALL_PREFIX=$INSTDIR/openbabel-2.3.2/install .. openbabel-2.3.2/data/genheaders.sh openbabel-2.3.2/data/ghemical.prm openbabel-2.3.2/data/isotope-small.txt openbabel-2.3.2/data/isotope.h openbabel-2.3.2/data/isotope.txt openbabel-2.3.2/data/logp.txt openbabel-2.3.2/data/MACCS.txt openbabel-2.3.2/data/mm2.prm openbabel-2.3.2/data/mmff94.ff openbabel-2.3.2/data/mmff94s.ff openbabel-2.3.2/data/mmffang.par openbabel-2.3.2/data/mmffbndk.par openbabel-2.3.2/data/mmffbond.par openbabel-2.3.2/data/mmffchg.par openbabel-2.3.2/data/mmffdef.par openbabel-2.3.2/data/mmffdfsb.par openbabel-2.3.2/data/mmffoop.par openbabel-2.3.2/data/mmffpbci.par openbabel-2.3.2/data/mmffprop.par openbabel-2.3.2/data/mmffs_oop.par openbabel-2.3.2/data/mmffs_tor.par openbabel-2.3.2/data/mmffstbn.par openbabel-2.3.2/data/mmfftor.par openbabel-2.3.2/data/mmffvdw.par openbabel-2.3.2/data/mpC.txt openbabel-2.3.2/data/mr.txt openbabel-2.3.2/data/patterns.txt openbabel-2.3.2/data/phmodel.txt openbabel-2.3.2/data/phmodeldata.h openbabel-2.3.2/data/plugindefines.txt openbabel-2.3.2/data/psa.txt openbabel-2.3.2/data/qeq.txt openbabel-2.3.2/data/resdata.h openbabel-2.3.2/data/resdata.txt openbabel-2.3.2/data/ringtyp.txt openbabel-2.3.2/data/SMARTS_InteLigand.txt openbabel-2.3.2/data/space-groups.txt openbabel-2.3.2/data/space-groups.xsl openbabel-2.3.2/data/splash.png openbabel-2.3.2/data/superatom.txt openbabel-2.3.2/data/svgformat.script openbabel-2.3.2/data/templates.sdf openbabel-2.3.2/data/torlib.h openbabel-2.3.2/data/torlib.txt openbabel-2.3.2/data/types.h openbabel-2.3.2/data/types.txt openbabel-2.3.2/data/UFF.prm openbabel-2.3.2/cmake/modules/ openbabel-2.3.2/cmake/modules/FindCairo.cmake openbabel-2.3.2/cmake/modules/FindEigen2.cmake openbabel-2.3.2/cmake/modules/FindEigen3.cmake openbabel-2.3.2/cmake/modules/FindInchi.cmake openbabel-2.3.2/cmake/modules/MacroEnsureVersion.cmake openbabel-2.3.2/cmake/modules/UsePythonTest.cmake -- The C compiler identification is GNU 4.9.3 -- The CXX compiler identification is GNU 4.9.3 -- Check for working C compiler: /opt/cray/craype/2.5.8/bin/cc CMake Error at /mnt/a/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/share/cmake-3.1/Modules/CMakeTestCCompiler.cmake:61 (message): The C compiler "/opt/cray/craype/2.5.8/bin/cc" is not able to compile a simple test program. It fails with the following output: Change Dir: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/CMakeFiles/CMakeTmp Run Build Command:"/usr/bin/gmake" "cmTryCompileExec942736540/fast" /usr/bin/gmake -f CMakeFiles/cmTryCompileExec942736540.dir/build.make CMakeFiles/cmTryCompileExec942736540.dir/build gmake[1]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/CMakeFiles/CMakeTmp' /mnt/a/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/bin/cmake -E cmake_progress_report /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/CMakeFiles/CMakeTmp/CMakeFiles 1 Building C object CMakeFiles/cmTryCompileExec942736540.dir/testCCompiler.c.o /opt/cray/craype/2.5.8/bin/cc -o CMakeFiles/cmTryCompileExec942736540.dir/testCCompiler.c.o -c /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/CMakeFiles/CMakeTmp/testCCompiler.c Linking C executable cmTryCompileExec942736540 /mnt/a/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/bin/cmake -E cmake_link_script CMakeFiles/cmTryCompileExec942736540.dir/link.txt --verbose=1 /opt/cray/craype/2.5.8/bin/cc CMakeFiles/cmTryCompileExec942736540.dir/testCCompiler.c.o -o cmTryCompileExec942736540 -rdynamic /usr/bin/ld: warning: libxpmem.so.0, needed by /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so, not found (try using -rpath or -rpath-link) /usr/bin/ld: warning: libudreg.so.0, needed by /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so, not found (try using -rpath or -rpath-link) /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_GetRefcount' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_remove' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheDestroy' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_DecrRefcount' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_Register' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `udreg_region_get_pagesize' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_make' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_attach' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_GetStat' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheCreate' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_Evict' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_release' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_detach' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheAccess' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_get' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheSetDebugPrintf' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_GetVersion' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_Unregister' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheRelease' collect2: error: ld returned 1 exit status gmake[1]: *** [cmTryCompileExec942736540] Error 1 gmake[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/CMakeFiles/CMakeTmp' gmake: *** [cmTryCompileExec942736540/fast] Error 2 CMake will not be able to correctly generate this project. Call Stack (most recent call first): CMakeLists.txt:6 (project) nice make -j8 make: *** No targets specified and no makefile found. Stop. make install make: *** No rule to make target `install'. Stop. export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$INSTDIR/openbabel-2.3.2/install/lib export CC=cc export CXX=CC export FC=ftn # install plplot library cd $INSTDIR git clone git://git.code.sf.net/p/plplot/plplot plplot.git -- Check for working C compiler: /opt/cray/craype/2.5.8/bin/cc -- broken -- Configuring incomplete, errors occurred! See also "/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/CMakeFiles/CMakeOutput.log". See also "/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/CMakeFiles/CMakeError.log". Cloning into 'plplot.git'... 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It fails with the following output: Change Dir: /u/system/bwjenkins/rmg-spp/plplot.git/build/CMakeFiles/CMakeTmp Run Build Command:"/usr/bin/gmake" "cmTryCompileExec4010881388/fast" /usr/bin/gmake -f CMakeFiles/cmTryCompileExec4010881388.dir/build.make CMakeFiles/cmTryCompileExec4010881388.dir/build gmake[1]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/plplot.git/build/CMakeFiles/CMakeTmp' /mnt/a/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/bin/cmake -E cmake_progress_report /u/system/bwjenkins/rmg-spp/plplot.git/build/CMakeFiles/CMakeTmp/CMakeFiles 1 Building C object CMakeFiles/cmTryCompileExec4010881388.dir/testCCompiler.c.o /opt/cray/craype/2.5.8/bin/cc -o CMakeFiles/cmTryCompileExec4010881388.dir/testCCompiler.c.o -c /u/system/bwjenkins/rmg-spp/plplot.git/build/CMakeFiles/CMakeTmp/testCCompiler.c Linking C executable cmTryCompileExec4010881388 /mnt/a/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/bin/cmake -E cmake_link_script CMakeFiles/cmTryCompileExec4010881388.dir/link.txt --verbose=1 /opt/cray/craype/2.5.8/bin/cc CMakeFiles/cmTryCompileExec4010881388.dir/testCCompiler.c.o -o cmTryCompileExec4010881388 -rdynamic /usr/bin/ld: warning: libxpmem.so.0, needed by /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so, not found (try using -rpath or -rpath-link) /usr/bin/ld: warning: libudreg.so.0, needed by /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so, not found (try using -rpath or -rpath-link) /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_GetRefcount' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_remove' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheDestroy' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_DecrRefcount' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_Register' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `udreg_region_get_pagesize' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_make' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_attach' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_GetStat' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheCreate' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_Evict' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_release' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_detach' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheAccess' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_get' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheSetDebugPrintf' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_GetVersion' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_Unregister' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheRelease' collect2: error: ld returned 1 exit status gmake[1]: *** [cmTryCompileExec4010881388] Error 1 gmake[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/plplot.git/build/CMakeFiles/CMakeTmp' gmake: *** [cmTryCompileExec4010881388/fast] Error 2 CMake will not be able to correctly generate this project. Call Stack (most recent call first): CMakeLists.txt:88 (enable_language) make make: *** No targets specified and no makefile found. Stop. make install make: *** No rule to make target `install'. Stop. # install CPU-version of RMG cd $INSTDIR wget http://downloads.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz --2017-03-29 08:59:44-- http://downloads.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz Resolving downloads.sourceforge.net... 216.34.181.59 Connecting to downloads.sourceforge.net|216.34.181.59|:80... connected. HTTP request sent, awaiting response... 302 Found Location: https://iweb.dl.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz [following] --2017-03-29 08:59:44-- https://iweb.dl.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz Resolving iweb.dl.sourceforge.net... 192.175.120.182, 2607:f748:10:12::5f:2 Connecting to iweb.dl.sourceforge.net|192.175.120.182|:443... connected. 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.......... .......... .......... 19% 78.3M 3s 8100K .......... .......... .......... .......... .......... 19% 82.5M 3s 8150K .......... .......... .......... .......... .......... 19% 77.3M 3s 8200K .......... .......... .......... .......... .......... 19% 79.5M 2s 8250K .......... .......... .......... .......... .......... 20% 76.8M 2s 8300K .......... .......... .......... .......... .......... 20% 77.7M 2s 8350K .......... .......... .......... .......... .......... 20% 84.5M 2s 8400K .......... .......... .......... .......... .......... 20% 67.3M 2s 8450K .......... .......... .......... .......... .......... 20% 94.5M 2s 8500K .......... .......... .......... .......... .......... 20% 93.6M 2s 8550K .......... .......... .......... .......... .......... 20% 2.41M 2s 8600K .......... .......... .......... .......... .......... 20% 69.7M 2s 8650K .......... .......... .......... .......... .......... 21% 73.4M 2s 8700K .......... .......... .......... .......... .......... 21% 54.2M 2s 8750K .......... .......... .......... .......... .......... 21% 77.7M 2s 8800K .......... .......... .......... .......... .......... 21% 57.9M 2s 8850K .......... .......... .......... .......... .......... 21% 80.7M 2s 8900K .......... .......... .......... .......... .......... 21% 81.9M 2s 8950K .......... .......... .......... .......... .......... 21% 83.3M 2s 9000K .......... .......... .......... .......... .......... 21% 84.4M 2s 9050K .......... .......... .......... .......... .......... 21% 87.4M 2s 9100K .......... .......... .......... .......... .......... 22% 77.1M 2s 9150K .......... .......... .......... .......... .......... 22% 81.5M 2s 9200K .......... .......... .......... .......... .......... 22% 58.8M 2s 9250K .......... .......... .......... .......... .......... 22% 89.7M 2s 9300K .......... .......... .......... .......... .......... 22% 89.7M 2s 9350K .......... .......... .......... .......... .......... 22% 93.2M 2s 9400K .......... .......... .......... .......... .......... 22% 89.5M 2s 9450K .......... .......... .......... .......... .......... 22% 2.41M 2s 9500K .......... .......... .......... .......... .......... 23% 81.2M 2s 9550K .......... .......... .......... .......... .......... 23% 53.6M 2s 9600K .......... .......... .......... .......... .......... 23% 59.6M 2s 9650K .......... .......... .......... .......... .......... 23% 83.5M 2s 9700K .......... .......... .......... .......... .......... 23% 80.9M 2s 9750K .......... .......... .......... .......... .......... 23% 84.2M 2s 9800K .......... .......... .......... .......... .......... 23% 80.1M 2s 9850K .......... .......... .......... .......... .......... 23% 76.1M 2s 9900K .......... .......... .......... .......... .......... 24% 82.5M 2s 9950K .......... .......... .......... .......... .......... 24% 81.7M 2s 10000K .......... .......... .......... .......... .......... 24% 60.4M 2s 10050K .......... ....-- Check for working C compiler: /opt/cray/craype/2.5.8/bin/cc -- broken -- Configuring incomplete, errors occurred! See also "/u/system/bwjenkins/rmg-spp/plplot.git/build/CMakeFiles/CMakeOutput.log". See also "/u/system/bwjenkins/rmg-spp/plplot.git/build/CMakeFiles/CMakeError.log". ...... .......... .......... .......... 24% 77.2M 2s 10100K .......... .......... .......... .......... .......... 24% 81.6M 2s 10150K .......... .......... .......... .......... .......... 24% 89.6M 2s 10200K .......... .......... .......... .......... .......... 24% 85.5M 2s 10250K .......... .......... .......... .......... .......... 24% 89.1M 2s 10300K .......... .......... .......... .......... .......... 25% 2.42M 2s 10350K .......... .......... .......... .......... .......... 25% 79.8M 2s 10400K .......... .......... .......... .......... .......... 25% 45.1M 2s 10450K .......... .......... .......... .......... .......... 25% 72.6M 2s 10500K .......... .......... .......... .......... .......... 25% 76.4M 2s 10550K .......... .......... .......... .......... .......... 25% 77.7M 2s 10600K .......... .......... .......... .......... .......... 25% 81.7M 2s 10650K .......... .......... .......... .......... .......... 25% 79.8M 2s 10700K .......... .......... .......... .......... .......... 25% 83.1M 2s 10750K .......... .......... .......... .......... .......... 26% 72.5M 2s 10800K .......... .......... .......... .......... .......... 26% 58.4M 2s 10850K .......... .......... .......... .......... .......... 26% 81.6M 2s 10900K .......... .......... .......... .......... .......... 26% 80.5M 2s 10950K .......... .......... .......... .......... .......... 26% 80.7M 2s 11000K .......... .......... .......... .......... .......... 26% 81.6M 2s 11050K .......... .......... .......... .......... .......... 26% 82.8M 2s 11100K .......... .......... .......... .......... .......... 26% 89.3M 2s 11150K .......... .......... .......... .......... .......... 27% 2.46M 2s 11200K .......... .......... .......... .......... .......... 27% 53.9M 2s 11250K .......... .......... .......... .......... .......... 27% 59.8M 2s 11300K .......... .......... .......... .......... .......... 27% 61.6M 2s 11350K .......... .......... .......... .......... .......... 27% 82.0M 2s 11400K .......... .......... .......... .......... .......... 27% 81.0M 2s 11450K .......... .......... .......... .......... .......... 27% 86.8M 2s 11500K .......... .......... .......... .......... .......... 27% 86.8M 2s 11550K .......... .......... .......... .......... .......... 28% 89.7M 2s 11600K .......... .......... .......... .......... .......... 28% 65.6M 2s 11650K .......... .......... .......... .......... .......... 28% 89.1M 2s 11700K .......... .......... .......... .......... .......... 28% 74.8M 2s 11750K .......... .......... .......... .......... .......... 28% 88.0M 2s 11800K .......... .......... .......... .......... .......... 28% 84.7M 2s 11850K .......... .......... .......... .......... .......... 28% 87.1M 2s 11900K .......... .......... .......... .......... .......... 28% 87.2M 2s 11950K .......... .......... .......... .......... .......... 29% 97.4M 2s 12000K .......... .......... .......... .......... .......... 29% 2.38M 2s 12050K .......... .......... .......... .......... .......... 29% 70.4M 2s 12100K .......... .......... .......... .......... .......... 29% 77.2M 2s 12150K .......... .......... .......... .......... .......... 29% 50.3M 2s 12200K .......... .......... .......... .......... .......... 29% 86.3M 2s 12250K .......... .......... .......... .......... .......... 29% 83.9M 2s 12300K .......... .......... .......... .......... .......... 29% 87.5M 2s 12350K .......... .......... .......... .......... .......... 29% 79.4M 2s 12400K .......... .......... .......... .......... .......... 30% 64.5M 2s 12450K .......... .......... .......... .......... .......... 30% 86.0M 2s 12500K .......... .......... .......... .......... .......... 30% 86.1M 2s 12550K .......... .......... .......... .......... .......... 30% 89.7M 2s 12600K .......... .......... .......... .......... .......... 30% 95.5M 2s 12650K .......... .......... .......... .......... .......... 30% 83.7M 2s 12700K .......... .......... .......... .......... .......... 30% 86.1M 2s 12750K .......... .......... .......... .......... .......... 30% 88.3M 2s 12800K .......... .......... .......... .......... .......... 31% 66.1M 2s 12850K .......... .......... .......... .......... .......... 31% 97.7M 2s 12900K .......... .......... .......... .......... .......... 31% 2.40M 2s 12950K .......... .......... .......... .......... .......... 31% 84.4M 2s 13000K .......... .......... .......... .......... .......... 31% 60.0M 2s 13050K .......... .......... .......... .......... .......... 31% 61.7M 2s 13100K .......... .......... .......... .......... .......... 31% 86.3M 2s 13150K .......... .......... .......... .......... .......... 31% 87.4M 2s 13200K .......... .......... .......... .......... .......... 32% 64.9M 2s 13250K .......... .......... .......... .......... .......... 32% 90.4M 2s 13300K .......... .......... .......... .......... .......... 32% 85.7M 2s 13350K .......... .......... .......... .......... .......... 32% 79.9M 2s 13400K .......... .......... .......... .......... .......... 32% 92.4M 2s 13450K .......... .......... .......... .......... .......... 32% 95.2M 2s 13500K .......... .......... .......... .......... .......... 32% 83.5M 2s 13550K .......... .......... .......... .......... .......... 32% 80.5M 2s 13600K .......... .......... .......... .......... .......... 32% 56.8M 2s 13650K .......... .......... .......... .......... .......... 33% 82.7M 2s 13700K .......... .......... .......... .......... .......... 33% 91.3M 2s 13750K .......... .......... .......... .......... .......... 33% 2.29M 2s 13800K .......... .......... .......... .......... .......... 33% 70.9M 2s 13850K .......... .......... .......... .......... .......... 33% 78.8M 2s 13900K .......... .......... .......... .......... .......... 33% 60.5M 2s 13950K .......... .......... .......... .......... .......... 33% 48.2M 2s 14000K .......... .......... .......... .......... .......... 33% 55.0M 2s 14050K .......... .......... .......... .......... .......... 34% 80.5M 2s 14100K .......... .......... .......... .......... .......... 34% 83.1M 2s 14150K .......... .......... .......... .......... .......... 34% 75.2M 2s 14200K .......... .......... .......... .......... .......... 34% 72.9M 2s 14250K .......... .......... .......... .......... .......... 34% 70.4M 2s 14300K .......... .......... .......... .......... .......... 34% 77.6M 2s 14350K .......... .......... .......... .......... .......... 34% 78.7M 2s 14400K .......... .......... .......... .......... .......... 34% 66.4M 2s 14450K .......... .......... .......... .......... .......... 35% 102M 2s 14500K .......... .......... .......... .......... .......... 35% 116M 2s 14550K .......... .......... .......... .......... .......... 35% 116M 2s 14600K .......... .......... .......... .......... .......... 35% 114M 2s 14650K .......... .......... .......... .......... .......... 35% 2.48M 2s 14700K .......... .......... .......... .......... .......... 35% 74.5M 2s 14750K .......... .......... .......... .......... .......... 35% 87.5M 2s 14800K .......... .......... .......... .......... .......... 35% 34.9M 2s 14850K .......... .......... .......... .......... .......... 36% 72.1M 2s 14900K .......... .......... .......... .......... .......... 36% 76.2M 2s 14950K .......... .......... .......... .......... .......... 36% 79.6M 2s 15000K .......... .......... .......... .......... .......... 36% 85.0M 2s 15050K .......... .......... .......... .......... .......... 36% 84.4M 2s 15100K .......... .......... .......... .......... .......... 36% 86.1M 1s 15150K .......... .......... .......... .......... .......... 36% 89.6M 1s 15200K .......... .......... .......... .......... .......... 36% 62.1M 1s 15250K .......... .......... .......... .......... .......... 36% 87.7M 1s 15300K .......... .......... .......... .......... .......... 37% 88.7M 1s 15350K .......... .......... .......... .......... .......... 37% 84.6M 1s 15400K .......... .......... .......... .......... .......... 37% 99.1M 1s 15450K .......... .......... .......... .......... .......... 37% 99.3M 1s 15500K .......... .......... .......... .......... .......... 37% 106M 1s 15550K .......... .......... .......... .......... .......... 37% 2.43M 1s 15600K .......... .......... .......... .......... .......... 37% 61.3M 1s 15650K .......... .......... .......... .......... .......... 37% 74.8M 1s 15700K .......... .......... .......... .......... .......... 38% 42.5M 1s 15750K .......... .......... .......... .......... .......... 38% 79.3M 1s 15800K .......... .......... .......... .......... .......... 38% 65.3M 1s 15850K .......... .......... .......... .......... .......... 38% 86.7M 1s 15900K .......... .......... .......... .......... .......... 38% 52.6M 1s 15950K .......... .......... .......... .......... .......... 38% 77.6M 1s 16000K .......... .......... .......... .......... .......... 38% 62.8M 1s 16050K .......... .......... .......... .......... .......... 38% 86.3M 1s 16100K .......... .......... .......... .......... .......... 39% 88.2M 1s 16150K .......... .......... .......... .......... .......... 39% 81.0M 1s 16200K .......... .......... .......... .......... .......... 39% 87.9M 1s 16250K .......... .......... .......... .......... .......... 39% 88.6M 1s 16300K .......... .......... .......... .......... .......... 39% 87.7M 1s 16350K .......... .......... .......... .......... .......... 39% 92.6M 1s 16400K .......... .......... .......... .......... .......... 39% 2.48M 1s 16450K .......... .......... .......... .......... .......... 39% 80.2M 1s 16500K .......... .......... .......... .......... .......... 40% 79.6M 1s 16550K .......... .......... .......... .......... .......... 40% 66.3M 1s 16600K .......... .......... .......... .......... .......... 40% 46.0M 1s 16650K .......... .......... .......... .......... .......... 40% 60.4M 1s 16700K .......... .......... .......... .......... .......... 40% 77.4M 1s 16750K .......... .......... .......... .......... .......... 40% 49.9M 1s 16800K .......... .......... .......... .......... .......... 40% 8.61M 1s 16850K .......... .......... .......... .......... .......... 40% 85.5M 1s 16900K .......... .......... .......... .......... .......... 40% 88.1M 1s 16950K .......... .......... .......... .......... .......... 41% 87.8M 1s 17000K .......... .......... .......... .......... .......... 41% 92.8M 1s 17050K .......... .......... .......... .......... .......... 41% 89.1M 1s 17100K .......... .......... .......... .......... .......... 41% 89.7M 1s 17150K .......... .......... .......... .......... .......... 41% 91.1M 1s 17200K .......... .......... .......... .......... .......... 41% 66.3M 1s 17250K .......... .......... .......... .......... .......... 41% 88.6M 1s 17300K .......... .......... .......... .......... .......... 41% 3.23M 1s 17350K .......... .......... .......... .......... .......... 42% 77.4M 1s 17400K .......... .......... .......... .......... .......... 42% 73.1M 1s 17450K .......... .......... .......... .......... .......... 42% 74.7M 1s 17500K .......... .......... .......... .......... .......... 42% 76.9M 1s 17550K .......... .......... .......... .......... .......... 42% 78.9M 1s 17600K .......... .......... .......... .......... .......... 42% 43.5M 1s 17650K .......... .......... .......... .......... .......... 42% 8.85M 1s 17700K .......... .......... .......... .......... .......... 42% 81.1M 1s 17750K .......... .......... .......... .......... .......... 43% 76.6M 1s 17800K .......... .......... .......... .......... .......... 43% 84.0M 1s 17850K .......... .......... .......... .......... .......... 43% 80.5M 1s 17900K .......... .......... .......... .......... .......... 43% 75.8M 1s 17950K .......... .......... .......... .......... .......... 43% 86.7M 1s 18000K .......... .......... .......... .......... .......... 43% 71.9M 1s 18050K .......... .......... .......... .......... .......... 43% 88.0M 1s 18100K .......... .......... .......... .......... .......... 43% 99.3M 1s 18150K .......... .......... .......... .......... .......... 43% 97.8M 1s 18200K .......... .......... .......... .......... .......... 44% 3.24M 1s 18250K .......... .......... .......... .......... .......... 44% 80.8M 1s 18300K .......... .......... .......... .......... .......... 44% 83.2M 1s 18350K .......... .......... .......... .......... .......... 44% 55.2M 1s 18400K .......... .......... .......... .......... .......... 44% 64.0M 1s 18450K .......... .......... .......... .......... .......... 44% 75.7M 1s 18500K .......... .......... .......... .......... .......... 44% 55.4M 1s 18550K .......... .......... .......... .......... .......... 44% 8.71M 1s 18600K .......... .......... .......... .......... .......... 45% 84.0M 1s 18650K .......... .......... .......... .......... .......... 45% 77.2M 1s 18700K .......... .......... .......... .......... .......... 45% 77.1M 1s 18750K .......... .......... .......... .......... .......... 45% 80.3M 1s 18800K .......... .......... .......... .......... .......... 45% 54.7M 1s 18850K .......... .......... .......... .......... .......... 45% 77.2M 1s 18900K .......... .......... .......... .......... .......... 45% 80.9M 1s 18950K .......... .......... .......... .......... .......... 45% 77.5M 1s 19000K .......... .......... .......... .......... .......... 46% 86.8M 1s 19050K .......... .......... .......... .......... .......... 46% 3.41M 1s 19100K .......... .......... .......... .......... .......... 46% 63.3M 1s 19150K .......... .......... .......... .......... .......... 46% 70.1M 1s 19200K .......... .......... .......... .......... .......... 46% 47.6M 1s 19250K .......... .......... .......... .......... .......... 46% 88.8M 1s 19300K .......... .......... .......... .......... .......... 46% 77.2M 1s 19350K .......... .......... .......... .......... .......... 46% 72.1M 1s 19400K .......... .......... .......... .......... .......... 47% 57.1M 1s 19450K .......... .......... .......... .......... .......... 47% 8.08M 1s 19500K .......... .......... .......... .......... .......... 47% 66.1M 1s 19550K .......... .......... .......... .......... .......... 47% 88.3M 1s 19600K .......... .......... .......... .......... .......... 47% 61.5M 1s 19650K .......... .......... .......... .......... .......... 47% 84.5M 1s 19700K .......... .......... .......... .......... .......... 47% 77.6M 1s 19750K .......... .......... .......... .......... .......... 47% 84.6M 1s 19800K .......... .......... .......... .......... .......... 47% 78.4M 1s 19850K .......... .......... .......... .......... .......... 48% 84.9M 1s 19900K .......... .......... .......... .......... .......... 48% 93.9M 1s 19950K .......... .......... .......... .......... .......... 48% 3.51M 1s 20000K .......... .......... .......... .......... .......... 48% 42.8M 1s 20050K .......... .......... .......... .......... .......... 48% 88.9M 1s 20100K .......... .......... .......... .......... .......... 48% 60.6M 1s 20150K .......... .......... .......... .......... .......... 48% 89.3M 1s 20200K .......... .......... .......... .......... .......... 48% 90.1M 1s 20250K .......... .......... .......... .......... .......... 49% 54.2M 1s 20300K .......... .......... .......... .......... .......... 49% 68.1M 1s 20350K .......... .......... .......... .......... .......... 49% 7.46M 1s 20400K .......... .......... .......... .......... .......... 49% 66.5M 1s 20450K .......... .......... .......... .......... .......... 49% 73.3M 1s 20500K .......... .......... .......... .......... .......... 49% 84.0M 1s 20550K .......... .......... .......... .......... .......... 49% 78.1M 1s 20600K .......... .......... .......... .......... .......... 49% 73.8M 1s 20650K .......... .......... .......... .......... .......... 50% 84.4M 1s 20700K .......... .......... .......... .......... .......... 50% 85.4M 1s 20750K .......... .......... .......... .......... .......... 50% 91.9M 1s 20800K .......... .......... .......... .......... .......... 50% 74.1M 1s 20850K .......... .......... .......... .......... .......... 50% 3.48M 1s 20900K .......... .......... .......... .......... .......... 50% 51.6M 1s 20950K .......... .......... .......... .......... .......... 50% 52.2M 1s 21000K .......... .......... .......... .......... .......... 50% 49.0M 1s 21050K .......... .......... .......... .......... .......... 51% 71.2M 1s 21100K .......... .......... .......... .......... .......... 51% 86.6M 1s 21150K .......... .......... .......... .......... .......... 51% 86.9M 1s 21200K .......... .......... .......... .......... .......... 51% 8.41M 1s 21250K .......... .......... .......... .......... .......... 51% 45.5M 1s 21300K .......... .......... .......... .......... .......... 51% 73.2M 1s 21350K .......... .......... .......... .......... .......... 51% 85.2M 1s 21400K .......... .......... .......... .......... .......... 51% 82.7M 1s 21450K .......... .......... .......... .......... .......... 51% 84.1M 1s 21500K .......... .......... .......... .......... .......... 52% 85.1M 1s 21550K .......... .......... .......... .......... .......... 52% 80.7M 1s 21600K .......... .......... .......... .......... .......... 52% 58.7M 1s 21650K .......... .......... .......... .......... .......... 52% 92.4M 1s 21700K .......... .......... .......... .......... .......... 52% 97.9M 1s 21750K .......... .......... .......... .......... .......... 52% 3.56M 1s 21800K .......... .......... .......... .......... .......... 52% 51.5M 1s 21850K .......... .......... .......... .......... .......... 52% 57.7M 1s 21900K .......... .......... .......... .......... .......... 53% 52.1M 1s 21950K .......... .......... .......... .......... .......... 53% 73.9M 1s 22000K .......... .......... .......... .......... .......... 53% 62.3M 1s 22050K .......... .......... .......... .......... .......... 53% 61.9M 1s 22100K .......... .......... .......... .......... .......... 53% 9.27M 1s 22150K .......... .......... .......... .......... .......... 53% 39.6M 1s 22200K .......... .......... .......... .......... .......... 53% 69.4M 1s 22250K .......... .......... .......... .......... .......... 53% 86.2M 1s 22300K .......... .......... .......... .......... .......... 54% 88.3M 1s 22350K .......... .......... .......... .......... .......... 54% 87.8M 1s 22400K .......... .......... .......... .......... .......... 54% 64.5M 1s 22450K .......... .......... .......... .......... .......... 54% 84.2M 1s 22500K .......... .......... .......... .......... .......... 54% 75.4M 1s 22550K .......... .......... .......... .......... .......... 54% 86.0M 1s 22600K .......... .......... .......... .......... .......... 54% 91.1M 1s 22650K .......... .......... .......... .......... .......... 54% 3.57M 1s 22700K .......... .......... .......... .......... .......... 54% 51.5M 1s 22750K .......... .......... .......... .......... .......... 55% 63.7M 1s 22800K .......... .......... .......... .......... .......... 55% 41.9M 1s 22850K .......... .......... .......... .......... .......... 55% 68.2M 1s 22900K .......... .......... .......... .......... .......... 55% 78.7M 1s 22950K .......... .......... .......... .......... .......... 55% 76.9M 1s 23000K .......... .......... .......... .......... .......... 55% 9.20M 1s 23050K .......... .......... .......... .......... .......... 55% 34.8M 1s 23100K .......... .......... .......... .......... .......... 55% 75.4M 1s 23150K .......... .......... .......... .......... .......... 56% 76.1M 1s 23200K .......... .......... .......... .......... .......... 56% 62.7M 1s 23250K .......... .......... .......... .......... .......... 56% 84.7M 1s 23300K .......... .......... .......... .......... .......... 56% 86.5M 1s 23350K .......... .......... .......... .......... .......... 56% 28.7M 1s 23400K .......... .......... .......... .......... .......... 56% 68.1M 1s 23450K .......... .......... .......... .......... .......... 56% 78.5M 1s 23500K .......... .......... .......... .......... .......... 56% 65.2M 1s 23550K .......... .......... .......... .......... .......... 57% 4.22M 1s 23600K .......... .......... .......... .......... .......... 57% 38.2M 1s 23650K .......... .......... .......... .......... .......... 57% 58.3M 1s 23700K .......... .......... .......... .......... .......... 57% 47.5M 1s 23750K .......... .......... .......... .......... .......... 57% 81.0M 1s 23800K .......... .......... .......... .......... .......... 57% 82.2M 1s 23850K .......... .......... .......... .......... .......... 57% 71.7M 1s 23900K .......... .......... .......... .......... .......... 57% 67.6M 1s 23950K .......... .......... .......... .......... .......... 58% 8.43M 1s 24000K .......... .......... .......... .......... .......... 58% 45.5M 1s 24050K .......... .......... .......... .......... .......... 58% 78.6M 1s 24100K .......... .......... .......... .......... .......... 58% 76.2M 1s 24150K .......... .......... .......... .......... .......... 58% 79.0M 1s 24200K .......... .......... .......... .......... .......... 58% 85.2M 1s 24250K .......... .......... .......... .......... .......... 58% 31.4M 1s 24300K .......... .......... .......... .......... .......... 58% 68.3M 1s 24350K .......... .......... .......... .......... .......... 58% 70.9M 1s 24400K .......... .......... .......... .......... .......... 59% 51.0M 1s 24450K .......... .......... .......... .......... .......... 59% 4.11M 1s 24500K .......... .......... .......... .......... .......... 59% 60.9M 1s 24550K .......... .......... .......... .......... .......... 59% 70.1M 1s 24600K .......... .......... .......... .......... .......... 59% 66.0M 1s 24650K .......... .......... .......... .......... .......... 59% 48.6M 1s 24700K .......... .......... .......... .......... .......... 59% 72.0M 1s 24750K .......... .......... .......... .......... .......... 59% 82.4M 1s 24800K .......... .......... .......... .......... .......... 60% 52.8M 1s 24850K .......... .......... .......... .......... .......... 60% 8.83M 1s 24900K .......... .......... .......... .......... .......... 60% 35.3M 1s 24950K .......... .......... .......... .......... .......... 60% 80.4M 1s 25000K .......... .......... .......... .......... .......... 60% 80.3M 1s 25050K .......... .......... .......... .......... .......... 60% 78.0M 1s 25100K .......... .......... .......... .......... .......... 60% 83.4M 1s 25150K .......... .......... .......... .......... .......... 60% 83.9M 1s 25200K .......... .......... .......... .......... .......... 61% 28.9M 1s 25250K .......... .......... .......... .......... .......... 61% 61.7M 1s 25300K .......... .......... .......... .......... .......... 61% 64.9M 1s 25350K .......... .......... .......... .......... .......... 61% 65.1M 1s 25400K .......... .......... .......... .......... .......... 61% 4.22M 1s 25450K .......... .......... .......... .......... .......... 61% 76.8M 1s 25500K .......... .......... .......... .......... .......... 61% 54.1M 1s 25550K .......... .......... .......... .......... .......... 61% 46.2M 1s 25600K .......... .......... .......... .......... .......... 62% 53.2M 1s 25650K .......... .......... .......... .......... .......... 62% 80.7M 1s 25700K .......... .......... .......... .......... .......... 62% 82.3M 1s 25750K .......... .......... .......... .......... .......... 62% 58.9M 1s 25800K .......... .......... .......... .......... .......... 62% 7.64M 1s 25850K .......... .......... .......... .......... .......... 62% 76.4M 1s 25900K .......... .......... .......... .......... .......... 62% 79.8M 1s 25950K .......... .......... .......... .......... .......... 62% 80.3M 1s 26000K .......... .......... .......... .......... .......... 62% 58.1M 1s 26050K .......... .......... .......... .......... .......... 63% 84.6M 1s 26100K .......... .......... .......... .......... .......... 63% 44.4M 1s 26150K .......... .......... .......... .......... .......... 63% 44.9M 1s 26200K .......... .......... .......... .......... .......... 63% 58.6M 1s 26250K .......... .......... .......... .......... .......... 63% 84.7M 1s 26300K .......... .......... .......... .......... .......... 63% 74.0M 1s 26350K .......... .......... .......... .......... .......... 63% 3.73M 1s 26400K .......... .......... .......... .......... .......... 63% 49.3M 1s 26450K .......... .......... .......... .......... .......... 64% 62.7M 1s 26500K .......... .......... .......... .......... .......... 64% 64.0M 1s 26550K .......... .......... .......... .......... .......... 64% 79.9M 1s 26600K .......... .......... .......... .......... .......... 64% 85.1M 1s 26650K .......... .......... .......... .......... .......... 64% 77.8M 1s 26700K .......... .......... .......... .......... .......... 64% 9.95M 1s 26750K .......... .......... .......... .......... .......... 64% 19.3M 1s 26800K .......... .......... .......... .......... .......... 64% 63.6M 1s 26850K .......... .......... .......... .......... .......... 65% 85.0M 1s 26900K .......... .......... .......... .......... .......... 65% 87.7M 1s 26950K .......... .......... .......... .......... .......... 65% 81.4M 1s 27000K .......... .......... .......... .......... .......... 65% 89.6M 1s 27050K .......... .......... .......... .......... .......... 65% 90.7M 1s 27100K .......... .......... .......... .......... .......... 65% 76.2M 1s 27150K .......... .......... .......... .......... .......... 65% 81.1M 1s 27200K .......... .......... .......... .......... .......... 65% 67.4M 1s 27250K .......... .......... .......... .......... .......... 65% 3.69M 1s 27300K .......... .......... .......... .......... .......... 66% 55.0M 1s 27350K .......... .......... .......... .......... .......... 66% 47.8M 1s 27400K .......... .......... .......... .......... .......... 66% 78.4M 1s 27450K .......... .......... .......... .......... .......... 66% 89.7M 1s 27500K .......... .......... .......... .......... .......... 66% 69.9M 1s 27550K .......... .......... .......... .......... .......... 66% 91.4M 1s 27600K .......... .......... .......... .......... .......... 66% 63.4M 1s 27650K .......... .......... .......... .......... .......... 66% 7.16M 1s 27700K .......... .......... .......... .......... .......... 67% 83.5M 1s 27750K .......... .......... .......... .......... .......... 67% 83.5M 1s 27800K .......... .......... .......... .......... .......... 67% 86.0M 1s 27850K .......... .......... .......... .......... .......... 67% 88.3M 1s 27900K .......... .......... .......... .......... .......... 67% 80.5M 1s 27950K .......... .......... .......... .......... .......... 67% 91.5M 1s 28000K .......... .......... .......... .......... .......... 67% 63.4M 1s 28050K .......... .......... .......... .......... .......... 67% 86.8M 1s 28100K .......... .......... .......... .......... .......... 68% 89.3M 1s 28150K .......... .......... .......... .......... .......... 68% 94.4M 1s 28200K .......... .......... .......... .......... .......... 68% 3.60M 1s 28250K .......... .......... .......... .......... .......... 68% 87.6M 1s 28300K .......... .......... .......... .......... .......... 68% 50.8M 1s 28350K .......... .......... .......... .......... .......... 68% 78.0M 1s 28400K .......... .......... .......... .......... .......... 68% 60.8M 1s 28450K .......... .......... .......... .......... .......... 68% 82.2M 1s 28500K .......... .......... .......... .......... .......... 69% 81.8M 1s 28550K .......... .......... .......... .......... .......... 69% 87.6M 1s 28600K .......... .......... .......... .......... .......... 69% 7.07M 1s 28650K .......... .......... .......... .......... .......... 69% 95.6M 1s 28700K .......... .......... .......... .......... .......... 69% 103M 1s 28750K .......... .......... .......... .......... .......... 69% 84.0M 1s 28800K .......... .......... .......... .......... .......... 69% 68.7M 1s 28850K .......... .......... .......... .......... .......... 69% 96.3M 1s 28900K .......... .......... .......... .......... .......... 69% 94.2M 1s 28950K .......... .......... .......... .......... .......... 70% 74.5M 1s 29000K .......... .......... .......... .......... .......... 70% 86.5M 1s 29050K .......... .......... .......... .......... .......... 70% 88.7M 1s 29100K .......... .......... .......... .......... .......... 70% 3.91M 1s 29150K .......... .......... .......... .......... .......... 70% 28.5M 1s 29200K .......... .......... .......... .......... .......... 70% 54.2M 1s 29250K .......... .......... .......... .......... .......... 70% 64.0M 1s 29300K .......... .......... .......... .......... .......... 70% 85.7M 1s 29350K .......... .......... .......... .......... .......... 71% 84.2M 1s 29400K .......... .......... .......... .......... .......... 71% 87.5M 1s 29450K .......... .......... .......... .......... .......... 71% 84.6M 1s 29500K .......... .......... .......... .......... .......... 71% 10.4M 1s 29550K .......... .......... .......... .......... .......... 71% 12.3M 1s 29600K .......... .......... .......... .......... .......... 71% 66.0M 1s 29650K .......... .......... .......... .......... .......... 71% 64.3M 1s 29700K .......... .......... .......... .......... .......... 71% 82.2M 1s 29750K .......... .......... .......... .......... .......... 72% 80.9M 1s 29800K .......... .......... .......... .......... .......... 72% 81.1M 1s 29850K .......... .......... .......... .......... .......... 72% 80.2M 1s 29900K .......... .......... .......... .......... .......... 72% 82.1M 1s 29950K .......... .......... .......... .......... .......... 72% 50.4M 1s 30000K .......... .......... .......... .......... .......... 72% 65.7M 1s 30050K .......... .......... .......... .......... .......... 72% 4.17M 1s 30100K .......... .......... .......... .......... .......... 72% 84.5M 1s 30150K .......... .......... .......... .......... .......... 72% 52.3M 1s 30200K .......... .......... .......... .......... .......... 73% 72.5M 1s 30250K .......... .......... .......... .......... .......... 73% 90.4M 1s 30300K .......... .......... .......... .......... .......... 73% 89.9M 1s 30350K .......... .......... .......... .......... .......... 73% 91.5M 1s 30400K .......... .......... .......... .......... .......... 73% 65.7M 0s 30450K .......... .......... .......... .......... .......... 73% 5.86M 0s 30500K .......... .......... .......... .......... .......... 73% 86.9M 0s 30550K .......... .......... .......... .......... .......... 73% 87.6M 0s 30600K .......... 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4.72M 0s 31950K .......... .......... .......... .......... .......... 77% 31.0M 0s 32000K .......... .......... .......... .......... .......... 77% 40.1M 0s 32050K .......... .......... .......... .......... .......... 77% 51.2M 0s 32100K .......... .......... .......... .......... .......... 77% 91.4M 0s 32150K .......... .......... .......... .......... .......... 77% 89.3M 0s 32200K .......... .......... .......... .......... .......... 77% 89.1M 0s 32250K .......... .......... .......... .......... .......... 78% 72.5M 0s 32300K .......... .......... .......... .......... .......... 78% 12.2M 0s 32350K .......... .......... .......... .......... .......... 78% 9.55M 0s 32400K .......... .......... .......... .......... .......... 78% 64.5M 0s 32450K .......... .......... .......... .......... .......... 78% 91.6M 0s 32500K .......... .......... .......... .......... .......... 78% 85.3M 0s 32550K .......... .......... .......... .......... .......... 78% 73.7M 0s 32600K 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rmg-release_2.1/SubprojectIncludes/CMakeLists.txt.rmg.inc rmg-release_2.1/CMakeLists.txt rmg-release_2.1/svnrev.h.in rmg-release_2.1/COPYRIGHT rmg-release_2.1/COPYING rmg-release_2.1/Input/ rmg-release_2.1/Input/Upf.cpp rmg-release_2.1/Input/ReadTFAtoms.cpp rmg-release_2.1/Input/ReadDynamics.cpp rmg-release_2.1/Input/AutoSet.cpp rmg-release_2.1/Input/Verify.cpp rmg-release_2.1/Input/ReadCommon.cpp rmg-release_2.1/Input/Makefile rmg-release_2.1/Input/ReadPseudo.cpp cd rmg-release_2.1 mkdir build-cpu; cd build-cpu cmake -DOPENBABEL_INCLUDES=$INSTDIR/openbabel-2.3.2/install/include/openbabel-2.0/openbabel -DOPENBABEL_LIBRARIES=$INSTDIR/openbabel-2.3.2/install/lib/libopenbabel.so.4.0.2 -DPLplot_INCLUDE_DIR=$INSTDIR/plplot.git/install/include -DPLplot_cxx_LIBRARY=$INSTDIR/plplot.git/install/lib/libplplotcxx.so -DPLplot_LIBRARY=$INSTDIR/plplot.git/install/lib/libplplot.so .. rmg-release_2.1/Input/ReadInit.cpp rmg-release_2.1/Input/ReadForces.cpp rmg-release_2.1/Input/CMakeLists.txt 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rmg-release_2.1/Headers/RmgParallelFft.h rmg-release_2.1/Headers/species.h rmg-release_2.1/Headers/Kpoint.h rmg-release_2.1/Headers/portability.h rmg-release_2.1/Headers/my_scalapack.h rmg-release_2.1/Headers/Plots.h rmg-release_2.1/Headers/RmgGemm.h rmg-release_2.1/Headers/init_var.h rmg-release_2.1/Headers/CheckValue.h rmg-release_2.1/Headers/svn-commit.tmp rmg-release_2.1/Headers/Solvers.h rmg-release_2.1/Headers/rmg_control.h rmg-release_2.1/Headers/svnrev.h rmg-release_2.1/Headers/BesselRoots.h rmg-release_2.1/Headers/RmgShm.h rmg-release_2.1/Headers/Subdiag.h rmg-release_2.1/Headers/mg.h rmg-release_2.1/Headers/pe_control.h rmg-release_2.1/Headers/rmgtypedefs.h rmg-release_2.1/Headers/input.h rmg-release_2.1/Headers/pack_3d.h rmg-release_2.1/Headers/Pw.h rmg-release_2.1/Headers/RmgException.h rmg-release_2.1/Headers/cnpy.h rmg-release_2.1/Headers/BesselRoots.h.sav rmg-release_2.1/Headers/blas.h rmg-release_2.1/Headers/RmgInputFile.h rmg-release_2.1/Headers/Atomic.h rmg-release_2.1/Headers/rmgthreads.h rmg-release_2.1/Headers/grid.h rmg-release_2.1/Headers/lbfgs.h rmg-release_2.1/Headers/common_prototypes.h rmg-release_2.1/Headers/macros.h rmg-release_2.1/Headers/make_conf.h rmg-release_2.1/Headers/GpuAlloc.h rmg-release_2.1/Headers/InternalPseudo.h rmg-release_2.1/Headers/common_prototypes1.h rmg-release_2.1/Headers/State.h rmg-release_2.1/Headers/main.h rmg-release_2.1/Headers/rmg_alloc.h rmg-release_2.1/Headers/const.h rmg-release_2.1/Headers/typedefs.h rmg-release_2.1/Headers/remap_3d.h rmg-release_2.1/Headers/InputOpts.h rmg-release_2.1/Headers/Scalapack.h rmg-release_2.1/Headers/RmgThread.h rmg-release_2.1/Headers/MapElements.h rmg-release_2.1/Headers/AtomicInterpolate.h rmg-release_2.1/Headers/params.h -- The Fortran compiler identification is GNU -- Check for working Fortran compiler: /opt/cray/craype/2.5.8/bin/ftn CMake Error at /mnt/a/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/share/cmake-3.1/Modules/CMakeTestFortranCompiler.cmake:54 (message): The Fortran compiler "/opt/cray/craype/2.5.8/bin/ftn" is not able to compile a simple test program. It fails with the following output: Change Dir: /u/system/bwjenkins/rmg-spp/rmg-release_2.1/build-cpu/CMakeFiles/CMakeTmp Run Build Command:"/usr/bin/gmake" "cmTryCompileExec489314404/fast" /usr/bin/gmake -f CMakeFiles/cmTryCompileExec489314404.dir/build.make CMakeFiles/cmTryCompileExec489314404.dir/build gmake[1]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/build-cpu/CMakeFiles/CMakeTmp' /mnt/a/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/bin/cmake -E cmake_progress_report /u/system/bwjenkins/rmg-spp/rmg-release_2.1/build-cpu/CMakeFiles/CMakeTmp/CMakeFiles 1 Building Fortran object CMakeFiles/cmTryCompileExec489314404.dir/testFortranCompiler.f.o /opt/cray/craype/2.5.8/bin/ftn -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/build-cpu/CMakeFiles/CMakeTmp/testFortranCompiler.f -o CMakeFiles/cmTryCompileExec489314404.dir/testFortranCompiler.f.o Linking Fortran executable cmTryCompileExec489314404 /mnt/a/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/bin/cmake -E cmake_link_script CMakeFiles/cmTryCompileExec489314404.dir/link.txt --verbose=1 /opt/cray/craype/2.5.8/bin/ftn CMakeFiles/cmTryCompileExec489314404.dir/testFortranCompiler.f.o -o cmTryCompileExec489314404 -rdynamic /usr/bin/ld: warning: libxpmem.so.0, needed by /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so, not found (try using -rpath or -rpath-link) /usr/bin/ld: warning: libudreg.so.0, needed by /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so, not found (try using -rpath or -rpath-link) /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_GetRefcount' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_remove' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheDestroy' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_DecrRefcount' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_Register' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `udreg_region_get_pagesize' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_make' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_attach' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_GetStat' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheCreate' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_Evict' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_release' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_detach' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheAccess' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `xpmem_get' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheSetDebugPrintf' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_GetVersion' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_Unregister' /opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so: undefined reference to `UDREG_CacheRelease' collect2: error: ld returned 1 exit status gmake[1]: *** [cmTryCompileExec489314404] Error 1 gmake[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/build-cpu/CMakeFiles/CMakeTmp' gmake: *** [cmTryCompileExec489314404/fast] Error 2 CMake will not be able to correctly generate this project. Call Stack (most recent call first): CMakeLists.txt:16 (enable_language) nice make -j12 rmg-cpu make: *** No rule to make target `rmg-cpu'. Stop. rm -rf ~/scratch/rmg-spp -- Check for working Fortran compiler: /opt/cray/craype/2.5.8/bin/ftn -- broken -- Configuring incomplete, errors occurred! See also "/u/system/bwjenkins/rmg-spp/rmg-release_2.1/build-cpu/CMakeFiles/CMakeOutput.log". See also "/u/system/bwjenkins/rmg-spp/rmg-release_2.1/build-cpu/CMakeFiles/CMakeError.log". mkdir -p ~/scratch/rmg-spp cp /projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/run.pbs ~/scratch/rmg-spp/run.pbs cp: cannot stat `/projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/run.pbs': No such file or directory cp /projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/302waters.rmg_cpu ~/scratch/rmg-spp/ cp: cannot stat `/projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/302waters.rmg_cpu': No such file or directory cd ~/scratch/rmg-spp cat run.pbs | grep -v aprun > myrun.pbs cat: run.pbs: No such file or directory echo "time aprun -n 400 -N 4 -d 8 -cc numa_node ~/rmg-spp/rmg-release_2.1/build-cpu/rmg-cpu 302waters.rmg_cpu" >> myrun.pbs cat -n myrun.pbs MYJOBID=`qsub myrun.pbs` qsub myrun.pbs bash: line 64: qsub: command not found echo MYJOBID=$MYJOBID ~arnoldg/ior/wait_for.sh $MYJOBID tail *.log > ~/rmg-spp/rmg.logtail.txt tail: cannot open `*.log' for reading: No such file or directory grep "real" z302water_cpu100.o* grep: z302water_cpu100.o*: No such file or directory MYREALTIME=`egrep "real\s" z302water_cpu100.o* | cut -dl -f2 | cut -dm -f1` egrep "real\s" z302water_cpu100.o* | cut -dl -f2 | cut -dm -f1 egrep: z302water_cpu100.o*: No such file or directory echo "YVALUE= $MYREALTIME" > ~/rmg-spp/rmg.realtime cat -n ~/rmg-spp/rmg.realtime 1 time aprun -n 400 -N 4 -d 8 -cc numa_node ~/rmg-spp/rmg-release_2.1/build-cpu/rmg-cpu 302waters.rmg_cpu MYJOBID= === RUNNING /u/staff/arnoldg/ior/wait_for.sh === /u/staff/arnoldg/ior/wait_for.sh: missing argument for jobid 1 YVALUE= [SSH] exit-status: 0 [rmg-spp] $ /bin/sh -xe /tmp/jenkins4301686818328065055.sh + scp 'BW_REMOTE:~/rmg-spp/*.txt' /var/lib/jenkins/workspace/rmg-spp Access by OTP or Two Factor Certificate Authority only. Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access. gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access. Blue Waters down for maintenance that started on Tuesday Mar 28th, at 12:01am (midnight), extending to Wednesday Mar 29th 04:00pm. Blue Waters Admin Team + scp 'BW_REMOTE:~/rmg-spp/rmg.realtime' /var/lib/jenkins/workspace/rmg-spp Access by OTP or Two Factor Certificate Authority only. Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access. gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access. Blue Waters down for maintenance that started on Tuesday Mar 28th, at 12:01am (midnight), extending to Wednesday Mar 29th 04:00pm. Blue Waters Admin Team Recording plot data Saving plot series data from: /var/lib/jenkins/workspace/rmg-spp/rmg.realtime Finished: SUCCESS