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Started by user arnoldg Building on master in workspace /var/lib/jenkins/workspace/rmg-spp-newpe executing script: PATH="/sw/tools/bin:/sw/tools/bin:$PATH" 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 # begin newpe testing module unload cce cray-mpich module load cce/8.5.5 module load cray-mpich/7.5.0 module unload fftw module load fftw/3.3.4.10 # end newpe testing 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/ cp /projects/bluewaters/benchmarking/SPP/rmg/small/* ~/scratch/rmg-spp/ cd ~/scratch/rmg-spp cp ~/rmg-spp/rmg-release_2.1/build-cpu/rmg-cpu ./ cat run.pbs | sed -e "s/aprun/time aprun/g" > 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/2.0.1 ;export ATP_HOME;ATP_IGNORE_SIGTERM=1 ;export ATP_IGNORE_SIGTERM;ATP_MRNET_COMM_PATH=/opt/cray/atp/2.0.1/libexec/atp_mrnet_commnode_wrapper ;export ATP_MRNET_COMM_PATH;ATP_POST_LINK_OPTS=-Wl,-L/opt/cray/atp/2.0.1/libApp/\ ;export ATP_POST_LINK_OPTS;CRAYOS_VERSION=5.2.82 ;export CRAYOS_VERSION;CRAYPE_DIR=/opt/cray/craype/2.5.4 ;export CRAYPE_DIR;CRAYPE_NETWORK_TARGET=gemini ;export CRAYPE_NETWORK_TARGET;CRAYPE_VERSION=2.5.4 ;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/16.03.1/GNU/4.9/x86_64/lib:/opt/cray/mpt/7.3.3/gni/mpich-gnu/4.9/lib ;export CRAY_LD_LIBRARY_PATH;CRAY_LIBSCI_BASE_DIR=/opt/cray/libsci/16.03.1 ;export CRAY_LIBSCI_BASE_DIR;CRAY_LIBSCI_DIR=/opt/cray/libsci/16.03.1 ;export CRAY_LIBSCI_DIR;CRAY_LIBSCI_PREFIX_DIR=/opt/cray/libsci/16.03.1/GNU/4.9/x86_64 ;export CRAY_LIBSCI_PREFIX_DIR;CRAY_LIBSCI_VERSION=16.03.1 ;export CRAY_LIBSCI_VERSION;CRAY_MPICH2_DIR=/opt/cray/mpt/7.3.3/gni/mpich-gnu/4.9 ;export CRAY_MPICH2_DIR;CRAY_MPICH2_VER=7.3.3 ;export CRAY_MPICH2_VER;CRAY_MPICH_BASEDIR=/opt/cray/mpt/7.3.3/gni ;export CRAY_MPICH_BASEDIR;CRAY_MPICH_DIR=/opt/cray/mpt/7.3.3/gni/mpich-gnu/4.9 ;export CRAY_MPICH_DIR;CRAY_MPICH_ROOTDIR=/opt/cray/mpt/7.3.3 ;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/2.3.0/darshan-2.3.0_cle52/lib:/usr/local/globus-5.2.5/lib64:/opt/torque/6.0.1-end/lib:/usr/local/globus/lib64 ;export LD_LIBRARY_PATH;LIBSCI_BASE_DIR=/opt/cray/libsci/16.03.1 ;export LIBSCI_BASE_DIR;LIBSCI_VERSION=16.03.1 ;export LIBSCI_VERSION;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-network-gemini:craype-interlagos:craype/2.5.4:cray-mpich/7.3.3:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6:cray-libsci/16.03.1: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/2.0.1:PrgEnv-gnu/5.2.82 ;export LOADEDMODULES;MANPATH=/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/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/6.0.1-end/share/man:/opt/cray/mpt/7.3.3/gni/man/mpich:/opt/cray/craype/2.5.4/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/bw/modulefiles:/sw/xe/modulefiles:/usr/local/modulefiles:/opt/cray/gem/modulefiles:/opt/cray/craype/2.5.4/modulefiles:/opt/cray/modulefiles:/opt/modulefiles ;export MODULEPATH;MPICH_ABORT_ON_ERROR=1 ;export MPICH_ABORT_ON_ERROR;MPICH_DIR=/opt/cray/mpt/7.3.3/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/gcc/4.9.3/bin:/sw/tools/bin:/sw/tools/bin:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/mpt/7.3.3/gni/bin:/opt/cray/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/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/4.4.0/CRAY/8.3/lib/pkgconfig:/opt/cray/netcdf/4.4.0/CRAY/8.3/lib/pkgconfig:/opt/cray/hdf5-parallel/1.8.16/CRAY/8.3/lib/pkgconfig:/opt/cray/hdf5/1.8.16/CRAY/8.3/lib/pkgconfig:/opt/cray/ga/5.3.0.6/CRAY/8.3/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_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_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_x86_64=x86_64 ;export PE_FFTW_DEFAULT_TARGET_x86_64;PE_FFTW_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/fftw/3.3.4.7/@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/5.3.0.6/@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 ;export PE_HDF5_DEFAULT_FIXED_PRGENV;PE_HDF5_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_HDF5_DEFAULT_GENCOMPILERS_GNU;PE_HDF5_DEFAULT_GENCOMPILERS_INTEL=15.0\ 14.0 ;export PE_HDF5_DEFAULT_GENCOMPILERS_INTEL;PE_HDF5_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_HDF5_DEFAULT_GENCOMPS_GNU;PE_HDF5_DEFAULT_GENCOMPS_INTEL=150\ 140 ;export PE_HDF5_DEFAULT_GENCOMPS_INTEL;PE_HDF5_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_HDF5_DEFAULT_REQUIRED_PRODUCTS;PE_HDF5_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/hdf5/1.8.16/@PRGENV@/@PE_HDF5_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_HDF5_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_HDF5_DEFAULT_VOLATILE_PRGENV=GNU\ INTEL ;export PE_HDF5_DEFAULT_VOLATILE_PRGENV;PE_HDF5_PARALLEL_DEFAULT_FIXED_PRGENV=CRAY\ PGI ;export PE_HDF5_PARALLEL_DEFAULT_FIXED_PRGENV;PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_GNU;PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_INTEL=15.0\ 14.0 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_INTEL;PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_GNU;PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_INTEL=150\ 140 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_INTEL;PE_HDF5_PARALLEL_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_HDF5_PARALLEL_DEFAULT_REQUIRED_PRODUCTS;PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/hdf5-parallel/1.8.16/@PRGENV@/@PE_HDF5_PARALLEL_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PRGENV=GNU\ INTEL ;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/4.4.0/INTEL/15.0/lib/pkgconfig:/opt/cray/netcdf/4.4.0/INTEL/15.0/lib/pkgconfig:/opt/cray/mpt/7.3.3/gni/mpich-intel/15.0/lib/pkgconfig:/opt/cray/ga/5.3.0.6/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/16.03.1/@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/16.03.1 ;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/16.03.1/@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=8.3 ;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=83 ;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/7.3.3/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_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_NETCDF_DEFAULT_GENCOMPILERS_GNU;PE_NETCDF_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_NETCDF_DEFAULT_GENCOMPS_GNU;PE_NETCDF_DEFAULT_REQUIRED_PRODUCTS=PE_HDF5 ;export PE_NETCDF_DEFAULT_REQUIRED_PRODUCTS;PE_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/netcdf/4.4.0/@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_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPILERS_GNU;PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPS_GNU;PE_NETCDF_HDF5PARALLEL_DEFAULT_REQUIRED_PRODUCTS=PE_HDF5_PARALLEL:PE_MPICH ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_REQUIRED_PRODUCTS;PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/netcdf-hdf5parallel/4.4.0/@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/3.6.3.0/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/4.4.0/PGI/15.3/lib/pkgconfig:/opt/cray/netcdf/4.4.0/PGI/15.3/lib/pkgconfig:/opt/cray/hdf5-parallel/1.8.16/PGI/15.3/lib/pkgconfig:/opt/cray/hdf5/1.8.16/PGI/15.3/lib/pkgconfig:/opt/cray/ga/5.3.0.6/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/7.3.3/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/16.03.1/@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/16.03.1/@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=8.4 ;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_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_TRILINOS_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_TRILINOS_DEFAULT_GENCOMPS_CRAY_x86_64=84 ;export PE_TRILINOS_DEFAULT_GENCOMPS_CRAY_x86_64;PE_TRILINOSmodule swap gcc gcc/4.9.3 module load boost module load cmake/3.1.3 module load fftw # begin newpe testing module unload cce cray-mpich module load cce/8.5.5 module load cray-mpich/7.5.0 _DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_TRILINOS_DEFAULT_GENCOMPS_GNU_x86_64;PE_TRILINOS_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_TRILINOS_DEFAULT_GENCOMPS_INTEL_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/12.2.1.0/@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\ INTEL ;export PE_TRILINOS_DEFAULT_VOLATILE_PRGENV;PKGCONFIG_ENABLED=1 ;export PKGCONFIG_ENABLED;PKG_CONFIG_PATH=/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/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/2.5.4/pkg-config:/opt/cray/iobuf/2.0.6/lib/pkgconfig:/opt/cray/atp/2.0.1/lib/pkgconfig ;export PKG_CONFIG_PATH;PKG_CONFIG_PATH_DEFAULT=/opt/cray/papi/5.4.3.1/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/1.3.3-1.020200.1278.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/cray/modulefiles/cray-mpich/7.3.3:/opt/modulefiles/torque/6.0.1:/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/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.03.1:/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/2.0.1:/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/2.3.0/darshan-2.3.0_cle52/lib:/usr/local/globus-5.2.5/lib64:/opt/torque/6.0.1-end/lib:/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-network-gemini:craype-interlagos:craype/2.5.4:cray-mpich/7.3.3:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6:cray-libsci/16.03.1: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/2.0.1:PrgEnv-gnu/5.2.82 ;export LOADEDMODULES;MANPATH=/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/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/6.0.1-end/share/man:/opt/cray/mpt/7.3.3/gni/man/mpich:/opt/cray/craype/2.5.4/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/gcc/4.9.3/bin:/sw/tools/bin:/sw/tools/bin:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/mpt/7.3.3/gni/bin:/opt/cray/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/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/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/cray/modulefiles/cray-mpich/7.3.3:/opt/modulefiles/torque/6.0.1:/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/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.03.1:/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/2.0.1:/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/2.3.0/darshan-2.3.0_cle52/lib:/usr/local/globus-5.2.5/lib64:/opt/torque/6.0.1-end/lib:/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-network-gemini:craype-interlagos:craype/2.5.4:cray-mpich/7.3.3:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6:cray-libsci/16.03.1: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/2.0.1: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/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/cray/modulefiles/cray-mpich/7.3.3:/opt/modulefiles/torque/6.0.1:/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/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.03.1:/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/2.0.1:/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-network-gemini:craype-interlagos:craype/2.5.4:cray-mpich/7.3.3:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6:cray-libsci/16.03.1: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/2.0.1: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/gcc/4.9.3/bin:/sw/tools/bin:/sw/tools/bin:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/mpt/7.3.3/gni/bin:/opt/cray/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/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/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/cray/modulefiles/cray-mpich/7.3.3:/opt/modulefiles/torque/6.0.1:/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/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.03.1:/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/2.0.1:/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=3.3.4.7 ;export CRAY_FFTW_VERSION;CRAY_LD_LIBRARY_PATH=/opt/cray/fftw/3.3.4.7/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/16.03.1/GNU/4.9/x86_64/lib:/opt/cray/mpt/7.3.3/gni/mpich-gnu/4.9/lib ;export CRAY_LD_LIBRARY_PATH;FFTW_DIR=/opt/cray/fftw/3.3.4.7/interlagos/lib ;export FFTW_DIR;FFTW_INC=/opt/cray/fftw/3.3.4.7/interlagos/include ;export FFTW_INC;FFTW_VERSION=3.3.4.7 ;export FFTW_VERSION;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-network-gemini:craype-interlagos:craype/2.5.4:cray-mpich/7.3.3:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6:cray-libsci/16.03.1: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/2.0.1:PrgEnv-gnu/5.2.82:boost/1.53.0:cmake/3.1.3:fftw/3.3.4.7 ;export LOADEDMODULES;MANPATH=/opt/cray/fftw/3.3.4.7/share/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/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/6.0.1-end/share/man:/opt/cray/mpt/7.3.3/gni/man/mpich:/opt/cray/craype/2.5.4/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/3.3.4.7/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/gcc/4.9.3/bin:/sw/tools/bin:/sw/tools/bin:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/mpt/7.3.3/gni/bin:/opt/cray/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/bin:/opt/cray/bin ;export PATH;PE_FFTW_REQUIRED_PRODUCTS=PE_MPICH ;export PE_FFTW_REQUIRED_PRODUCTS;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_mic_knl=mic_knl ;export PE_FFTW_TARGET_mic_knl;PE_FFTW_TARGET_sandybridge=sandybridge ;export PE_FFTW_TARGET_sandybridge;PE_FFTW_TARGET_x86_64=x86_64 ;export PE_FFTW_TARGET_x86_64;PE_FFTW_VOLATILE_PKGCONFIG_PATH=/opt/cray/fftw/3.3.4.7/@PE_FFTW_TARGET@/lib/pkgconfig ;export PE_FFTW_VOLATILE_PKGCONFIG_PATH;PE_PKGCONFIG_LIBS=fftw3f_mpi:fftw3f_threads:fftw3f:fftw3_mpi:fftw3_threads:fftw3:AtpSigHandler:cray-rca:libsci_mpi:libsci:darshan-runtime:mpich ;export PE_PKGCONFIG_LIBS;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/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/cray/modulefiles/cray-mpich/7.3.3:/opt/modulefiles/torque/6.0.1:/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/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.03.1:/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/2.0.1:/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/3.3.4.7 ;export _LMFILES_; ${MODULESHOME}/bin/modulecmd bash $* CRAY_LD_LIBRARY_PATH=/opt/cray/fftw/3.3.4.7/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/16.03.1/GNU/4.9/x86_64/lib ;export CRAY_LD_LIBRARY_PATH;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6:cray-libsci/16.03.1: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/2.0.1:PrgEnv-gnu/5.2.82:boost/1.53.0:cmake/3.1.3:fftw/3.3.4.7 ;export LOADEDMODULES;MANPATH=/opt/cray/fftw/3.3.4.7/share/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/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/6.0.1-end/share/man:/opt/cray/craype/2.5.4/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/3.3.4.7/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/gcc/4.9.3/bin:/sw/tools/bin:/sw/tools/bin:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/bin:/opt/cray/bin ;export PATH;PE_PKGCONFIG_LIBS=fftw3f_mpi:fftw3f_threads:fftw3f:fftw3_mpi:fftw3_threads:fftw3:AtpSigHandler:cray-rca:libsci_mpi:libsci:darshan-runtime ;export PE_PKGCONFIG_LIBS;PE_PKGCONFIG_PRODUCTS=PE_FFTW:PE_LIBSCI ;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/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/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/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.03.1:/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/2.0.1:/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/3.3.4.7 ;export _LMFILES_;unset CRAY_MPICH2_DIR;unset CRAY_MPICH2_VER;unset CRAY_MPICH_BASEDIR;unset CRAY_MPICH_DIR;unset CRAY_MPICH_ROOTDIR;unset MPICH_DIR;unset PE_CXX_PKGCONFIG_LIBS;unset PE_FORTRAN_PKGCONFIG_LIBS;unset PE_INTEL_FIXED_PKGCONFIG_PATH;unset PE_MPICH_CXX_PKGCONFIG_LIBS;unset PE_MPICH_DIR_CRAY_DEFAULT64;unset PE_MPICH_DIR_PGI_DEFAULT64;unset PE_MPICH_FIXED_PRGENV;unset PE_MPICH_FORTRAN_PKGCONFIG_LIBS;unset PE_MPICH_GENCOMPILERS_CRAY;unset PE_MPICH_GENCOMPILERS_GNU;unset PE_MPICH_GENCOMPILERS_PGI;unset PE_MPICH_GENCOMPS_CRAY;unset PE_MPICH_GENCOMPS_GNU;unset PE_MPICH_GENCOMPS_PGI;unset PE_MPICH_MODULE_NAME;unset PE_MPICH_MULTITHREADED_LIBS_multithreaded;unset PE_MPICH_NV_LIBS;unset PE_MPICH_NV_LIBS_nvidia20;unset PE_MPICH_NV_LIBS_nvidia35;unset PE_MPICH_PKGCONFIG_LIBS;unset PE_MPICH_PKGCONFIG_VARIABLES;unset PE_MPICH_TARGET_VAR_nvidia20;unset PE_MPICH_TARGET_VAR_nvidia35;unset PE_MPICH_VOLATILE_PKGCONFIG_PATH;unset PE_MPICH_VOLATILE_PRGENV; ${MODULESHOME}/bin/modulecmd bash $* ASSEMBLER_AARCH64=/opt/cray/cce/8.5.5/aarch64-binutils/bin/aarch64-linux-gnu-as ;export ASSEMBLER_AARCH64;ASSEMBLER_X86_64=/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin/as ;export ASSEMBLER_X86_64;CC_X86_64=/opt/cray/cce/8.5.5/CC/x86-64 ;export CC_X86_64;CRAYLIBS_AARCH64=/opt/cray/cce/8.5.5/craylibs/aarch64 ;export CRAYLIBS_AARCH64;CRAYLIBS_X86_64=/opt/cray/cce/8.5.5/craylibs/x86-64 ;export CRAYLIBS_X86_64;CRAYLMD_LICENSE_FILE=/opt/cray/cce/cce.lic ;export CRAYLMD_LICENSE_FILE;CRAY_BINUTILS_BIN=/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin ;export CRAY_BINUTILS_BIN;CRAY_BINUTILS_BIN_AARCH64=/opt/cray/cce/8.5.5/aarch64-binutils/aarch64-unknowun-linux-gnu/bin ;export CRAY_BINUTILS_BIN_AARCH64;CRAY_BINUTILS_ROOT=/opt/cray/cce/8.5.5/cray-binutils ;export CRAY_BINUTILS_ROOT;CRAY_BINUTILS_ROOT_AARCH64=/opt/cray/cce/8.5.5/aarch64-binutils ;export CRAY_BINUTILS_ROOT_AARCH64;CRAY_BINUTILS_VERSION=/opt/cray/cce/8.5.5 ;export CRAY_BINUTILS_VERSION;CRAY_CC_VERSION=8.5.5 ;export CRAY_CC_VERSION;CRAY_CXX_IPA_LIBS=/opt/cray/cce/8.5.5/CC/x86-64/lib/x86-64/libcray-c++-rts.a ;export CRAY_CXX_IPA_LIBS;CRAY_CXX_IPA_LIBS_AARCH64=/opt/cray/cce/8.5.5/CC/x86-64/lib/aarch64/libcray-c++-rts.a ;export CRAY_CXX_IPA_LIBS_AARCH64;CRAY_FTN_VERSION=8.5.5 ;export CRAY_FTN_VERSION;CRAY_LD_LIBRARY_PATH=/opt/cray/cce/8.5.5/CC/x86-64/lib/x86-64:/opt/cray/cce/8.5.5/craylibs/x86-64:/opt/cray/fftw/3.3.4.7/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/16.03.1/GNU/4.9/x86_64/lib ;export CRAY_LD_LIBRARY_PATH;FORTRAN_SYSTEM_MODULE_NAMES=ftn_lib_definitions ;export FORTRAN_SYSTEM_MODULE_NAMES;FTN_X86_64=/opt/cray/cce/8.5.5/cftn/x86-64 ;export FTN_X86_64;GCC_AARCH64=/opt/gcc-cross-aarch64/4.8.1/aarch64 ;export GCC_AARCH64;GCC_X86_64=/opt/gcc/4.8.1/snos ;export GCC_X86_64;INCLUDE_PATH_AARCH64=/opt/cray/cce/8.5.5/craylibs/aarch64/include ;export INCLUDE_PATH_AARCH64;INCLUDE_PATH_X86_64=/opt/cray/cce/8.5.5/craylibs/x86-64/include ;export INCLUDE_PATH_X86_64;LINKER_AARCH64=/opt/cray/cce/8.5.5/aarch64-binutils/bin/aarch64-linux-gnu-ld ;export LINKER_AARCH64;LINKER_X86_64=/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin/ld ;export LINKER_X86_64;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6:cray-libsci/16.03.1: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/2.0.1:PrgEnv-gnu/5.2.82:boost/1.53.0:cmake/3.1.3:fftw/3.3.4.7:cce/8.5.5 ;export LOADEDMODULES;MANPATH=/opt/cray/cce/8.5.5/man:/opt/cray/fftw/3.3.4.7/share/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/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/6.0.1-end/share/man:/opt/cray/craype/2.5.4/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;NLSPATH=/opt/cray/cce/8.5.5/CC/x86-64/nls/En/%N.cat:/opt/cray/cce/8.5.5/craylibs/x86-64/nls/En/%N.cat:/opt/cray/cce/8.5.5/cftn/x86-64/nls/En/%N.cat ;export NLSPATH;PATH=/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin:/opt/cray/cce/8.5.5/craylibs/x86-64/bin:/opt/cray/cce/8.5.5/cftn/bin:/opt/cray/cce/8.5.5/CC/bin:/opt/cray/fftw/3.3.4.7/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/gcc/4.9.3/bin:/sw/tools/bin:/sw/tools/bin:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/bin:/opt/cray/bin ;export PATH;PE_LEVEL=8.5 ;export PE_LEVEL;_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/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/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/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.03.1:/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/2.0.1:/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/3.3.4.7:/opt/modulefiles/cce/8.5.5 ;export _LMFILES_; ${MODULESHOME}/bin/modulecmd bash $* CRAY_LD_LIBRARY_PATH=/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib:/opt/cray/cce/8.5.5/CC/x86-64/lib/x86-64:/opt/cray/cce/8.5.5/craylibs/x86-64:/opt/cray/fftw/3.3.4.7/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/16.03.1/GNU/4.9/x86_64/lib ;export CRAY_LD_LIBRARY_PATH;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;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6:cray-libsci/16.03.1: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/2.0.1:PrgEnv-gnu/5.2.82:boost/1.53.0:cmamodule unload fftw module load fftw/3.3.4.10 # end newpe testing 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 --2017-02-14 13:36:36-- 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://dronedata.dl.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz [following] --2017-02-14 13:36:37-- https://dronedata.dl.sourceforge.net/project/openbabel/openbabel/2.3.2/openbabel-2.3.2.tar.gz Resolving dronedata.dl.sourceforge.net... 199.119.79.250 Connecting to dronedata.dl.sourceforge.net|199.119.79.250|:443... connected. HTTP request sent, awaiting response... 200 OK Length: 20509105 (20M) [application/x-gzip] Saving to: `openbabel-2.3.2.tar.gz.11' 0K .......... .......... .......... .......... .......... 0% 745K 27s 50K .......... .......... .......... .......... .......... 0% 1.46M 20s 100K .......... .......... .......... .......... .......... 0% 13.1M 14s 150K .......... .......... .......... .......... .......... 0% 1.63M 13s 200K .......... .......... .......... .......... .......... 1% 1.55M 13s 250K .......... .......... .......... .......... .......... 1% 29.3M 11s 300K .......... .......... .......... .......... .......... 1% 23.7M 10s 350K .......... .......... .......... .......... .......... 1% 1.68M 10s 400K .......... .......... .......... .......... .......... 2% 557K 13s 450K .......... .......... .......... .......... .......... 2% 59.9M 11s 500K .......... .......... .......... .......... .......... 2% 58.3M 10s 550K .......... .......... .......... .......... .......... 2% 1.64M 10s 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.......... .......... 13% 2.85M 13s 2650K .......... .......... .......... .......... .......... 13% 808K 13s 2700K .......... .......... .......... .......... .......... 13% 54.8M 13s 2750K ..ke/3.1.3:fftw/3.3.4.7:cce/8.5.5:cray-mpich/7.5.0 ;export LOADEDMODULES;MANPATH=/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/cce/8.5.5/man:/opt/cray/fftw/3.3.4.7/share/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/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/6.0.1-end/share/man:/opt/cray/craype/2.5.4/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;MPICH_DIR=/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9 ;export MPICH_DIR;PATH=/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin:/opt/cray/cce/8.5.5/craylibs/x86-64/bin:/opt/cray/cce/8.5.5/cftn/bin:/opt/cray/cce/8.5.5/CC/bin:/opt/cray/fftw/3.3.4.7/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/gcc/4.9.3/bin:/sw/tools/bin:/sw/tools/bin:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/bin:/opt/cray/bin ;export PATH;PE_CXX_PKGCONFIG_LIBS=mpichcxx ;export PE_CXX_PKGCONFIG_LIBS;PE_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_FORTRAN_PKGCONFIG_LIBS;PE_INTEL_FIXED_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/mpich-intel/16.0/lib/pkgconfig ;export PE_INTEL_FIXED_PKGCONFIG_PATH;PE_MPICH_CXX_PKGCONFIG_LIBS=mpichcxx ;export PE_MPICH_CXX_PKGCONFIG_LIBS;PE_MPICH_DIR_CRAY_DEFAULT64=64 ;export PE_MPICH_DIR_CRAY_DEFAULT64;PE_MPICH_DIR_PGI_DEFAULT64=64 ;export PE_MPICH_DIR_PGI_DEFAULT64;PE_MPICH_FIXED_PRGENV=INTEL ;export PE_MPICH_FIXED_PRGENV;PE_MPICH_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_MPICH_FORTRAN_PKGCONFIG_LIBS;PE_MPICH_GENCOMPILERS_CRAY=8.4 ;export PE_MPICH_GENCOMPILERS_CRAY;PE_MPICH_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_MPICH_GENCOMPILERS_GNU;PE_MPICH_GENCOMPILERS_PGI=15.3 ;export PE_MPICH_GENCOMPILERS_PGI;PE_MPICH_GENCOMPS_CRAY=84 ;export PE_MPICH_GENCOMPS_CRAY;PE_MPICH_GENCOMPS_GNU=51\ 49 ;export PE_MPICH_GENCOMPS_GNU;PE_MPICH_GENCOMPS_PGI=153 ;export PE_MPICH_GENCOMPS_PGI;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_MPICH_VOLATILE_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/mpich-@PRGENV@@PE_MPICH_DIR_DEFAULT64@/@PE_MPICH_GENCOMPS@/lib/pkgconfig ;export PE_MPICH_VOLATILE_PKGCONFIG_PATH;PE_MPICH_VOLATILE_PRGENV=CRAY\ GNU\ PGI ;export PE_MPICH_VOLATILE_PRGENV;PE_PKGCONFIG_LIBS=mpich:fftw3f_mpi:fftw3f_threads:fftw3f:fftw3_mpi:fftw3_threads:fftw3:AtpSigHandler:cray-rca:libsci_mpi:libsci:darshan-runtime ;export PE_PKGCONFIG_LIBS;PE_PKGCONFIG_PRODUCTS=PE_MPICH:PE_FFTW:PE_LIBSCI ;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/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/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/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.03.1:/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/2.0.1:/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/3.3.4.7:/opt/modulefiles/cce/8.5.5:/opt/cray/modulefiles/cray-mpich/7.5.0 ;export _LMFILES_; ${MODULESHOME}/bin/modulecmd bash $* CRAY_LD_LIBRARY_PATH=/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib:/opt/cray/cce/8.5.5/CC/x86-64/lib/x86-64:/opt/cray/cce/8.5.5/craylibs/x86-64:/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/16.03.1/GNU/4.9/x86_64/lib ;export CRAY_LD_LIBRARY_PATH;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6:cray-libsci/16.03.1: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/2.0.1:PrgEnv-gnu/5.2.82:boost/1.53.0:cmake/3.1.3:cce/8.5.5:cray-mpich/7.5.0 ;export LOADEDMODULES;MANPATH=/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/cce/8.5.5/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/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/6.0.1-end/share/man:/opt/cray/craype/2.5.4/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/mpt/7.5.0/gni/bin:/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin:/opt/cray/cce/8.5.5/craylibs/x86-64/bin:/opt/cray/cce/8.5.5/cftn/bin:/opt/cray/cce/8.5.5/CC/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/gcc/4.9.3/bin:/sw/tools/bin:/sw/tools/bin:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/bin:/opt/cray/bin ;export PATH;PE_PKGCONFIG_LIBS=mpich:AtpSigHandler:cray-rca:libsci_mpi:libsci:darshan-runtime ;export PE_PKGCONFIG_LIBS;PE_PKGCONFIG_PRODUCTS=PE_MPICH:PE_LIBSCI ;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/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/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/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.03.1:/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/2.0.1:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82:/sw/xe/modulefiles/boost/1.53.0:/sw/xe/modulefiles/cmake/3.1.3:/opt/modulefiles/cce/8.5.5:/opt/cray/modulefiles/cray-mpich/7.5.0 ;export _LMFILES_;unset CRAY_FFTW_VERSION;unset FFTW_DIR;unset FFTW_INC;unset FFTW_VERSION;unset PE_FFTW_REQUIRED_PRODUCTS;unset PE_FFTW_TARGET_broadwell;unset PE_FFTW_TARGET_haswell;unset PE_FFTW_TARGET_interlagos;unset PE_FFTW_TARGET_mic_knl;unset PE_FFTW_TARGET_sandybridge;unset PE_FFTW_TARGET_x86_64;unset PE_FFTW_VOLATILE_PKGCONFIG_PATH; ${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/mpt/7.5.0/gni/mpich-gnu/4.9/lib:/opt/cray/cce/8.5.5/CC/x86-64/lib/x86-64:/opt/cray/cce/8.5.5/craylibs/x86-64:/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/16.03.1/GNU/4.9/x86_64/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-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:darshan/2.3.0.1:scripts:user-paths:xalt/0.7.6:cray-libsci/16.03.1: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/2.0.1:PrgEnv-gnu/5.2.82:boost/1.53.0:cmake/3.1.3:cce/8.5.5:cray-mpich/7.5.0:fftw/3.3.4.10 ;export LOADEDMODULES;MANPATH=/opt/cray/fftw/3.3.4.10/share/man:/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/cce/8.5.5/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/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/6.0.1-end/share/man:/opt/cray/craype/2.5.4/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:/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin:/opt/cray/cce/8.5.5/craylibs/x86-64/bin:/opt/cray/cce/8.5.5/cftn/bin:/opt/cray/cce/8.5.5/CC/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/gcc/4.9.3/bin:/sw/tools/bin:/sw/tools/bin:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/libexec:/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin:/sw/admin/scripts:/sw/user/scripts:/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/bin:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/craype/2.5.4/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/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_MPICH:PE_LIBSCI ;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/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/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/2.3.0.1:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/bw/modulefiles/xalt/0.7.6:/opt/cray/modulefiles/cray-libsci/16.03.1:/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/2.0.1:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82:/sw/xe/modulefiles/boost/1.53.0:/sw/xe/modulefiles/cmake/3.1.3:/opt/modulefiles/cce/8.5.5:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/cray/modulefiles/fftw/3.3.4.10 ;export _LMFILES_; ........ .......... .......... .......... .......... 13% 1.09M 13s 2800K .......... .......... .......... .......... .......... 14% 37.5M 12s 2850K .......... .......... .......... .......... .......... 14% 473K 13s 2900K .......... .......... .......... .......... .......... 14% 64.7M 13s 2950K .......... .......... .......... .......... .......... 14% 58.4M 12s 3000K .......... .......... .......... .......... .......... 15% 54.0M 12s 3050K .......... .......... .......... .......... .......... 15% 1.36M 12s 3100K .......... .......... .......... .......... .......... 15% 8.09M 12s 3150K .......... .......... .......... .......... .......... 15% 63.6M 12s 3200K .......... .......... .......... .......... .......... 16% 41.0M 11s 3250K .......... .......... .......... .......... .......... 16% 1.01M 11s 3300K .......... .......... .......... .......... .......... 16% 60.6M 11s 3350K .......... .......... .......... .......... .......... 16% 64.9M 11s 3400K 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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 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 mkdir: cannot create directory `build': File exists cd build/ cmake -DCMAKE_INSTALL_PREFIX=$INSTDIR/openbabel-2.3.2/install .. -- Using included inchi library. -- Could NOT find wxWidgets (missing: wxWidgets_FOUND) -- Could NOT find Eigen3 (missing: EIGEN3_INCLUDE_DIR EIGEN3_VERSION_OK) (Required is at least version "2.91.0") -- Could NOT find Eigen2 (missing: EIGEN2_INCLUDE_DIR EIGEN2_VERSION_OK) (Required is at least version "2.0.0") -- Cairo found. PNG output will be supported. -- Attempting to build the GUI -- wxWidgets not found => GUI will not be built CMake Warning (dev) at test/CMakeLists.txt:171 (include): Syntax Warning in cmake code at /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/cmake/modules/UsePythonTest.cmake:54:14 Argument not separated from preceding token by whitespace. This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at test/CMakeLists.txt:171 (include): Syntax Warning in cmake code at /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/cmake/modules/UsePythonTest.cmake:54:31 Argument not separated from preceding token by whitespace. This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at test/CMakeLists.txt:171 (include): Syntax Warning in cmake code at /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/cmake/modules/UsePythonTest.cmake:57:25 Argument not separated from preceding token by whitespace. This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at test/CMakeLists.txt:171 (include): Syntax Warning in cmake code at /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/cmake/modules/UsePythonTest.cmake:57:39 Argument not separated from preceding token by whitespace. This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at cmake/modules/UsePythonTest.cmake:37 (FILE): Policy CMP0053 is not set: Simplify variable reference and escape sequence evaluation. Run "cmake --help-policy CMP0053" for policy details. Use the cmake_policy command to set the policy and suppress this warning. For input: ' SET(ENV{PYTHONPATH} ${pyenv}) SET(ENV{LD_LIBRARY_PATH} ${pyenv}:\$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} ${ob_libdir}) SET(ENV{BABEL_DATADIR} ${ob_datadir}) MESSAGE(\"${pyenv}\") EXECUTE_PROCESS( COMMAND ${PYTHON_EXECUTABLE} ${loc} ${wo_semicolumn} #WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@ RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' the old evaluation rules produce: ' SET(ENV{PYTHONPATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{LD_LIBRARY_PATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{BABEL_DATADIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/data) MESSAGE("/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib") EXECUTE_PROCESS( COMMAND /usr/bin/python /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/test/testbabel.py #WORKING_DIRECTORY RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' but the new evaluation rules produce: ' SET(ENV{PYTHONPATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{LD_LIBRARY_PATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{BABEL_DATADIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/data) MESSAGE("/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib") EXECUTE_PROCESS( COMMAND /usr/bin/python /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/test/testbabel.py #WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@ RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' Using the old result for compatibility since the policy is not set. Call Stack (most recent call first): test/CMakeLists.txt:182 (ADD_PYTHON_TEST) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at cmake/modules/UsePythonTest.cmake:37 (FILE): Policy CMP0053 is not set: Simplify variable reference and escape sequence evaluation. Run "cmake --help-policy CMP0053" for policy details. Use the cmake_policy command to set the policy and suppress this warning. For input: ' SET(ENV{PYTHONPATH} ${pyenv}) SET(ENV{LD_LIBRARY_PATH} ${pyenv}:\$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} ${ob_libdir}) SET(ENV{BABEL_DATADIR} ${ob_datadir}) MESSAGE(\"${pyenv}\") EXECUTE_PROCESS( COMMAND ${PYTHON_EXECUTABLE} ${loc} ${wo_semicolumn} #WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@ RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' the old evaluation rules produce: ' SET(ENV{PYTHONPATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{LD_LIBRARY_PATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{BABEL_DATADIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/data) MESSAGE("/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib") EXECUTE_PROCESS( COMMAND /usr/bin/python /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/test/testsym.py #WORKING_DIRECTORY RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' but the new evaluation rules produce: ' SET(ENV{PYTHONPATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{LD_LIBRARY_PATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{BABEL_DATADIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/data) MESSAGE("/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib") EXECUTE_PROCESS( COMMAND /usr/bin/python /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/test/testsym.py #WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@ RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' Using the old result for compatibility since the policy is not set. Call Stack (most recent call first): test/CMakeLists.txt:182 (ADD_PYTHON_TEST) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at cmake/modules/UsePythonTest.cmake:37 (FILE): Policy CMP0053 is not set: Simplify variable reference and escape sequence evaluation. Run "cmake --help-policy CMP0053" for policy details. Use the cmake_policy command to set the policy and suppress this warning. For input: ' SET(ENV{PYTHONPATH} ${pyenv}) SET(ENV{LD_LIBRARY_PATH} ${pyenv}:\$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} ${ob_libdir}) SET(ENV{BABEL_DATADIR} ${ob_datadir}) MESSAGE(\"${pyenv}\") EXECUTE_PROCESS( COMMAND ${PYTHON_EXECUTABLE} ${loc} ${wo_semicolumn} #WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@ RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' the old evaluation rules produce: ' SET(ENV{PYTHONPATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{LD_LIBRARY_PATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{BABEL_DATADIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/data) MESSAGE("/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib") EXECUTE_PROCESS( COMMAND /usr/bin/python /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/test/testfastsearch.py #WORKING_DIRECTORY RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' but the new evaluation rules produce: ' SET(ENV{PYTHONPATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{LD_LIBRARY_PATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{BABEL_DATADIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/data) MESSAGE("/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib") EXECUTE_PROCESS( COMMAND /usr/bin/python /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/test/testfastsearch.py #WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@ RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' Using the old result for compatibility since the policy is not set. Call Stack (most recent call first): test/CMakeLists.txt:182 (ADD_PYTHON_TEST) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at cmake/modules/UsePythonTest.cmake:37 (FILE): Policy CMP0053 is not set: Simplify variable reference and escape sequence evaluation. Run "cmake --help-policy CMP0053" for policy details. Use the cmake_policy command to set the policy and suppress this warning. For input: ' SET(ENV{PYTHONPATH} ${pyenv}) SET(ENV{LD_LIBRARY_PATH} ${pyenv}:\$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} ${ob_libdir}) SET(ENV{BABEL_DATADIR} ${ob_datadir}) MESSAGE(\"${pyenv}\") EXECUTE_PROCESS( COMMAND ${PYTHON_EXECUTABLE} ${loc} ${wo_semicolumn} #WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@ RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' the old evaluation rules produce: ' SET(ENV{PYTHONPATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{LD_LIBRARY_PATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{BABEL_DATADIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/data) MESSAGE("/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib") EXECUTE_PROCESS( COMMAND /usr/bin/python /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/test/testunique.py #WORKING_DIRECTORY RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' but the new evaluation rules produce: ' SET(ENV{PYTHONPATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{LD_LIBRARY_PATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{BABEL_DATADIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/data) MESSAGE("/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib") EXECUTE_PROCESS( COMMAND /usr/bin/python /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/test/testunique.py #WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@ RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' Using the old result for compatibility since the policy is not set. Call Stack (most recent call first): test/CMakeLists.txt:182 (ADD_PYTHON_TEST) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at cmake/modules/UsePythonTest.cmake:37 (FILE): Policy CMP0053 is not set: Simplify variable reference and escape sequence evaluation. Run "cmake --help-policy CMP0053" for policy details. Use the cmake_policy command to set the policy and suppress this warning. For input: ' SET(ENV{PYTHONPATH} ${pyenv}) SET(ENV{LD_LIBRARY_PATH} ${pyenv}:\$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} ${ob_libdir}) SET(ENV{BABEL_DATADIR} ${ob_datadir}) MESSAGE(\"${pyenv}\") EXECUTE_PROCESS( COMMAND ${PYTHON_EXECUTABLE} ${loc} ${wo_semicolumn} #WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@ RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' the old evaluation rules produce: ' SET(ENV{PYTHONPATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{LD_LIBRARY_PATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{BABEL_DATADIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/data) MESSAGE("/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib") EXECUTE_PROCESS( COMMAND /usr/bin/python /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/test/testkekule.py #WORKING_DIRECTORY RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' but the new evaluation rules produce: ' SET(ENV{PYTHONPATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{LD_LIBRARY_PATH} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib:$ENV{LD_LIBRARY_PATH}) SET(ENV{BABEL_LIBDIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib) SET(ENV{BABEL_DATADIR} /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/data) MESSAGE("/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/scripts/python:/u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build/lib") EXECUTE_PROCESS( COMMAND /usr/bin/python /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/test/testkekule.py #WORKING_DIRECTORY @LIBRARY_OUTPUT_PATH@ RESULT_VARIABLE import_res OUTPUT_VARIABLE import_output ERROR_VARIABLE import_output ) # Pass the output back to ctest IF(import_output) MESSAGE(' Using the old result for compatibility since the policy is not set. Call Stack (most recent call first): test/CMakeLists.txt:182 (ADD_PYTHON_TEST) This warning is for project developers. Use -Wno-dev to suppress it. -- Configuring done nice make -j8 -- Generating done -- Build files have been written to: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/build [ 17%] Built target inchi [ 33%] Built target openbabel [ 33%] [ 33%] [ 33%] Built target MCDLformat Built target CSRformat Built target APIInterface [ 35%] Built target plugin_fingerprints [ 40%] [ 41%] [ 41%] Built target plugin_forcefields [ 41%] Built target plugin_descriptors Built target plugin_charges [ 41%] Built target PQSformat Built target abinitformat [ 46%] [ 46%] Built target acesformat Built target MNAformat [ 46%] Built target plugin_ops [ 47%] [ 47%] Built target adfformat [ 48%] [ 48%] [ 48%] Built target alchemyformat Built target amberformat Built target acrformat Built target asciiformat [ 48%] [ 49%] Built target balstformat Built target bgfformat [ 49%] Built target cacaoformat [ 49%] [ 50%] [ 50%] [ 50%] Built target boxformat Built target carformat Built target castepformat Built target 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-- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/pdbqtformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/posformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/pqrformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/shelxformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/thermoformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/tinkerformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/unichemformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/viewmolformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/xedformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/xyzformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/yasaraformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/rxnformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/chemdrawcdx.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/chemkinformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/rsmiformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/xtcformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/png2format.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/cdxmlformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/cmlformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/pubchem.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/xmlformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/openbabel/2.3.2/cmlreactformat.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/libinchi.so.0.4.1 -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/libinchi.so.0 -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/lib/libinchi.so -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/babel -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/obabel -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/obchiral -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/obconformer -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/obenergy -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/obfit -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/obgen -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/obminimize -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/obprobe -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/obprop -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/obrotamer -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/obrotate -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/obspectrophore -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/obgrep -- Up-to-date: /u/system/bwjenkins/rmg-spp/openbabel-2.3.2/install/bin/roundtrip 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 $INSTDIR git clone git://git.code.sf.net/p/plplot/plplot plplot.git fatal: destination path 'plplot.git' already exists and is not an empty directory. cd plplot.git/ mkdir build mkdir: cannot create directory `build': File exists cd build cmake -DCMAKE_INSTALL_PREFIX=$INSTDIR/plplot.git/install .. -- CMake version = 3.1.3 -- CMAKE_SYSTEM_NAME = Linux -- SH_EXECUTABLE = /bin/bash -- Checking whether system has ANSI C header files -- ANSI C header files - found -- SWIG_VERSION = 3.0.7 -- WARNING: Perl module XML::DOM not found -- Looking for pkg-config - found -- cxx_compiler_library_pathname_list = /opt/cray/fftw/3.3.4.7/interlagos/lib/libfftw3f_mpi.so;/opt/cray/fftw/3.3.4.7/interlagos/lib/libfftw3f_threads.so;/opt/cray/fftw/3.3.4.7/interlagos/lib/libfftw3f.so;/opt/cray/fftw/3.3.4.7/interlagos/lib/libfftw3_mpi.so;/opt/cray/fftw/3.3.4.7/interlagos/lib/libfftw3_threads.so;/opt/cray/fftw/3.3.4.7/interlagos/lib/libfftw3.so;/opt/cray/atp/2.0.1/libApp/libAtpSigHandler.so;/opt/cray/atp/2.0.1/libApp/libAtpSigHCommData.a;/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64/librca.so;/opt/cray/mpt/7.3.3/gni/mpich-gnu/4.9/lib/libfmpich.so;/opt/cray/mpt/7.3.3/gni/mpich-gnu/4.9/lib/libmpichcxx.so;/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/lib/libdarshan-mpi-io.a;/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/lib/libdarshan-posix.a;/sw/xe/darshan/2.3.0/darshan-2.3.0_cle52/lib/libdarshan-stubs.a;/usr/lib64/libz.so;/usr/lib64/librt.so;/opt/cray/libsci/16.03.1/GNU/4.9/x86_64/lib/libsci_gnu_49_mpi.so;/opt/cray/libsci/16.03.1/GNU/4.9/x86_64/lib/libsci_gnu_49.so;/opt/cray/mpt/7.3.3/gni/mpich-gnu/4.9/lib/libmpich_gnu_49.so;/opt/cray/mpt/7.3.3/gni/mpich-gnu/4.9/lib/libmpichcxx_gnu_49.so;/opt/gcc/4.9.3/snos/lib64/libgfortran.so;/opt/gcc/4.9.3/snos/lib64/libquadmath.so;/usr/lib64/libm.so;/usr/lib64/libpthread.so;/opt/gcc/4.9.3/snos/lib64/libstdc++.so;/usr/lib64/libm.so;/usr/lib64/libc.so -- X11_FOUND = 1 -- X11_INCLUDE_DIR = /usr/include -- X11_COMPILE_FLAGS = -I/usr/include -- X11_LIBRARIES = /usr/lib64/libSM.so;/usr/lib64/libICE.so;/usr/lib64/libX11.so;/usr/lib64/libXext.so -- NOTICE: Found: /opt/cray/craype/2.5.4/bin/ftn -- PYTHON_VERSION = 2.6.9 -- Building Python binding with plsmem() support -- Start determining consistent system data for Tcl and friends -- Looking for Tcl - found -- TCL_INCLUDE_PATH = /usr/include -- TCL_LIBRARY = /usr/lib64/libtcl8.5.so -- TCL_STUB_LIBRARY = /usr/lib64/libtclstub8.5.a -- TCL_LIBRARY_PATH = /usr/lib64 -- Looking for tclsh - found -- TCL_TCLSH = /usr/bin/tclsh -- PLPLOT_TCL_VERSION = 8.5.5 -- WARNING: Because Tk is disabled must disable Itk as well -- Finished determining consistent system data for Tcl and friends -- checking for module 'pango' -- found pango, version 1.26.2 -- checking for module 'pangoft2' -- found pangoft2, version 1.26.2 -- Found LTDL: /usr/lib64/libltdl.so -- LTDL_INCLUDE_DIR = /usr/include -- LTDL_LIBRARY_DIR = /usr/lib64 -- LTDL_LIBRARIES = /usr/lib64/libltdl.so -- checking for module 'pangocairo' -- found pangocairo, version 1.26.2 -- WARNING: ENABLE_wxwidgets is OFF so setting all wxwidgets devices to OFF. -- WARNING: ENABLE_ocaml is OFF so disabling Plcairo module and lablgtk2 support -- WARNING: validate target will not be available to check for syntax issues in the PLplot DocBook documentation because onsgmls (or env) was not found. libplplot_LINK_FLAGS = /usr/lib64/libltdl.so;/usr/lib64/libm.so;-lcsirocsa;-lqsastime -- WARNING: Perl modules XML::Parser and/or XML::DOM not available so cannot check that swig_documentation.i is up to date. -- ENABLE_itcl: OFF -- Itcl libraries: plplot;/usr/lib64/libtcl8.5.so -- TEST_ENVIRONMENT = EXAMPLES_DIR=/u/system/bwjenkins/rmg-spp/plplot.git/build/examples SRC_EXAMPLES_DIR=/u/system/bwjenkins/rmg-spp/plplot.git/examples OUTPUT_DIR=/u/system/bwjenkins/rmg-spp/plplot.git/build/ctest_examples_output_dir VC_CTEST_DIRECTORY= -- Determine compile and link flags for extXdrawable_demo -- checking for module 'gtk+-x11-2.0' -- found gtk+-x11-2.0, version 2.18.9 -- Determine compile and link flags for ext-cairo-test -- checking for module 'cairo' -- found cairo, version 1.8.8 Summary of CMake build system results for PLplot Install location variables which can be set by the user: CMAKE_INSTALL_PREFIX: /u/system/bwjenkins/rmg-spp/plplot.git/install CMAKE_INSTALL_EXEC_PREFIX /u/system/bwjenkins/rmg-spp/plplot.git/install CMAKE_INSTALL_BINDIR /u/system/bwjenkins/rmg-spp/plplot.git/install/bin CMAKE_INSTALL_DATADIR /u/system/bwjenkins/rmg-spp/plplot.git/install/share CMAKE_INSTALL_LIBDIR /u/system/bwjenkins/rmg-spp/plplot.git/install/lib CMAKE_INSTALL_INCLUDEDIR /u/system/bwjenkins/rmg-spp/plplot.git/install/include CMAKE_INSTALL_INFODIR /u/system/bwjenkins/rmg-spp/plplot.git/install/share/info CMAKE_INSTALL_MANDIR /u/system/bwjenkins/rmg-spp/plplot.git/install/share/man Derived install location variables: DATA_DIR /u/system/bwjenkins/rmg-spp/plplot.git/install/share/plplot5.11.1 LIB_DIR /u/system/bwjenkins/rmg-spp/plplot.git/install/lib INCLUDE_DIR /u/system/bwjenkins/rmg-spp/plplot.git/install/include/plplot BIN_DIR /u/system/bwjenkins/rmg-spp/plplot.git/install/bin TCL_DIR /u/system/bwjenkins/rmg-spp/plplot.git/install/share/plplot5.11.1/tcl ADA_INCLUDE_DIR /u/system/bwjenkins/rmg-spp/plplot.git/install/share/ada/adainclude/plplotada ADA_LIB_DIR /u/system/bwjenkins/rmg-spp/plplot.git/install/lib/ada/adalib/plplotada PYTHON_INSTDIR /u/system/bwjenkins/rmg-spp/plplot.git/install/lib64/python2.6/site-packages DRV_DIR /u/system/bwjenkins/rmg-spp/plplot.git/install/lib/plplot5.11.1/drivers DOC_DIR /u/system/bwjenkins/rmg-spp/plplot.git/install/share/doc/plplot MAN_DIR /u/system/bwjenkins/rmg-spp/plplot.git/install/share/man INFO_DIR /u/system/bwjenkins/rmg-spp/plplot.git/install/share/info Other important CMake variables: CMAKE_SYSTEM_NAME: Linux UNIX: 1 WIN32: APPLE: MSVC: (MSVC_VERSION: ) MINGW: MSYS: CYGWIN: BORLAND: WATCOM: SWIG_FOUND: 1 PERL_FOUND: TRUE X11_FOUND: 1 CMAKE_BUILD_TYPE: CMAKE_C_COMPILER CMAKE_C_FLAGS: /opt/cray/craype/2.5.4/bin/cc CMAKE_CXX_COMPILER CMAKE_CXX_FLAGS: /opt/cray/craype/2.5.4/bin/CC CMAKE_Fortran_COMPILER CMAKE_Fortran_FLAGS: /opt/cray/craype/2.5.4/bin/ftn Target Fortran: PYTHON_EXECUTABLE: /usr/bin/python PYTHON_INCLUDE_PATH: /usr/include/python2.6 PYTHON_LIBRARIES: /usr/lib64/libpython2.6.so NUMPY_INCLUDE_PATH: /usr/lib64/python2.6/site-packages/numpy/core/include/numpy ENABLE_DYNDRIVERS: ON DRIVERS_LIST: cairo;mem;null;ps;svg;xfig;xwin DEVICES_LIST: memcairo;extcairo;pdfcairo;pngcairo;pscairo;epscairo;svgcairo;xcairo;mem;null;ps;svg;xfig;xwin Library options: BUILD_SHARED_LIBS: ON PL_DOUBLE: ON Optional libraries: PL_HAVE_QHULL: OFF WITH_CSA: ON PL_HAVE_FREETYPE: PL_HAVE_PTHREAD: ON HAVE_AGG: HAVE_SHAPELIB: OFF Language Bindings: ENABLE_ada: OFF ENABLE_cxx: ON ENABLE_d: OFF ENABLE_f95: ON ENABLE_java: ON ENABLE_lua: OFF ENABLE_ocaml: OFF ENABLE_octave: OFF ENABLE_pdl: OFF ENABLE_python: ON ENABLE_qt: OFF ENABLE_pyqt4: OFF ENABLE_pyqt5: OFF ENABLE_tcl: ON ENABLE_itcl: OFF ENABLE_tk: OFF ENABLE_itk: OFF ENABLE_wxwidgets: OFF -- Configuring done make -- Generating done -- Build files have been written to: /u/system/bwjenkins/rmg-spp/plplot.git/build [ 0%] Built target csirocsa [ 1%] Built target deltaT-gen [ 1%] Built target deltaT.h_built [ 2%] Built target tai-utc-gen [ 2%] Built target tai-utc.h_built [ 2%] Built target qsastime [ 2%] Built target plhershey-unicode-gen [ 3%] Built target plhershey-unicode.h_built [ 13%] Built target plplot [ 13%] Built target concatenate_pkgIndex.tcl [ 14%] Built target plplotcxx [ 15%] Built target plplotf95 [ 15%] Built target plplot.tcl_target [ 15%] Built target tclmatrix [ 16%] Built target plplottcltk [ 16%] Built target plplottcltk_Main [ 16%] Built target pltcl [ 17%] Built target tclIndex_tcl [ 17%] Built target _plplotcmodule [ 17%] Built target _plplotcmodule_fixed [ 17%] Built target plplot_widgetmodule [ 17%] Built target plplotjavac_wrap [ 21%] Built target plplot_core [ 22%] Built target cairo [ 22%] Built target mem [ 23%] Built target null [ 24%] Built target ps [ 24%] Built target svg [ 24%] Built target test-drv-info [ 25%] Built target xwin [ 25%] Built target test_xwin_dyndriver [ 26%] Built target test_cairo_dyndriver [ 26%] Built target test_mem_dyndriver [ 26%] Built target test_null_dyndriver [ 26%] Built target test_ps_dyndriver [ 28%] Built target test_svg_dyndriver [ 28%] Built target xfig [ 28%] Built target test_xfig_dyndriver [ 28%] Built target test_dyndrivers [ 28%] Built target parity_bit_check [ 28%] Built target pltek [ 28%] Built target workaround_file_generate_bug [ 28%] Built target plf95demolib [ 29%] Built target x31j [ 30%] Built target x00j [ 30%] Built target x01j [ 30%] Built target x02j [ 30%] Built target x03j [ 31%] Built target x04j [ 31%] Built target x05j [ 31%] Built target x06j [ 31%] Built target x07j [ 32%] 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plhershey-unicode.h_built [ 13%] Built target plplot [ 13%] Built target concatenate_pkgIndex.tcl [ 14%] Built target plplotcxx [ 15%] Built target plplotf95 [ 15%] Built target plplot.tcl_target [ 15%] Built target tclmatrix [ 16%] Built target plplottcltk [ 16%] Built target plplottcltk_Main [ 16%] Built target pltcl [ 17%] Built target tclIndex_tcl [ 17%] Built target _plplotcmodule [ 17%] Built target _plplotcmodule_fixed [ 17%] Built target plplot_widgetmodule [ 17%] Built target plplotjavac_wrap [ 21%] Built target plplot_core [ 22%] Built target cairo [ 22%] Built target mem [ 23%] Built target null [ 24%] Built target ps [ 24%] Built target svg [ 24%] Built target test-drv-info [ 25%] Built target xwin [ 25%] Built target test_xwin_dyndriver [ 26%] Built target test_cairo_dyndriver [ 26%] Built target test_mem_dyndriver [ 26%] Built target test_null_dyndriver [ 26%] Built target test_ps_dyndriver [ 28%] Built target test_svg_dyndriver [ 28%] Built target xfig [ 28%] Built target test_xfig_dyndriver [ 28%] Built target test_dyndrivers [ 28%] Built target parity_bit_check [ 28%] Built target pltek [ 28%] Built target workaround_file_generate_bug [ 28%] Built target plf95demolib [ 29%] Built target x31j [ 30%] Built target x00j [ 30%] Built target x01j [ 30%] Built target x02j [ 30%] Built target x03j [ 31%] Built target x04j [ 31%] Built target x05j [ 31%] Built target x06j [ 31%] Built target x07j [ 32%] Built target x08j [ 32%] Built target x09j [ 32%] Built target x10j [ 33%] Built target x11j [ 33%] Built target x12j [ 33%] Built target x13j [ 33%] Built target x14j [ 34%] Built target x15j [ 34%] Built target x33j [ 34%] Built target x16j [ 34%] Built target x17j [ 34%] Built target x18j [ 35%] Built target x19j [ 35%] Built target x20j [ 35%] Built target x21j [ 35%] Built target x22j [ 37%] Built target x23j [ 37%] Built target x24j [ 37%] Built target x25j [ 37%] Built target x26j [ 38%] Built target x27j [ 38%] Built target x28j [ 38%] Built target x29j [ 38%] Built target x30j [ 47%] Built target plplot_examples [ 57%] Built target plplot_jar [ 78%] Built target tcl_examples [100%] Built target tclIndex_examples_tcl Install the project... -- Install configuration: "" -- Up-to-date: /u/system/bwjenkins/rmg-spp/plplot.git/install/share/doc/plplot/ABOUT -- Up-to-date: /u/system/bwjenkins/rmg-spp/plplot.git/install/share/doc/plplot/AUTHORS -- Up-to-date: /u/system/bwjenkins/rmg-spp/plplot.git/install/share/doc/plplot/COPYING.LIB -- Up-to-date: /u/system/bwjenkins/rmg-spp/plplot.git/install/share/doc/plplot/ChangeLog.release -- Up-to-date: /u/system/bwjenkins/rmg-spp/plplot.git/install/share/doc/plplot/Copyright -- Up-to-date: /u/system/bwjenkins/rmg-spp/plplot.git/install/share/doc/plplot/FAQ -- Up-to-date: /u/system/bwjenkins/rmg-spp/plplot.git/install/share/doc/plplot/NEWS -- Up-to-date: /u/system/bwjenkins/rmg-spp/plplot.git/install/share/doc/plplot/PROBLEMS -- Up-to-date: 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/u/system/bwjenkins/rmg-spp/plplot.git/install/share/plplot5.11.1/examples/tcl/x11 -- Up-to-da # install CPU-version of RMG cd $INSTDIR wget http://downloads.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz --2017-02-14 13:38:38-- 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://svwh.dl.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz [following] --2017-02-14 13:38:38-- https://svwh.dl.sourceforge.net/project/rmgdft/Releases/2.1/Sources/rmg-release_2.1.tar.gz Resolving svwh.dl.sourceforge.net... 72.5.72.15, 2606:c680:0:b:3830:34ff:fe66:6663 Connecting to svwh.dl.sourceforge.net|72.5.72.15|:443... connected. 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.. rmg-release_2.1/Finite_diff/FiniteDiff_Cbindings.cpp rmg-release_2.1/Force/ rmg-release_2.1/Force/Makefile rmg-release_2.1/Force/iiforce.c rmg-release_2.1/Force/CorrectForces.cpp rmg-release_2.1/Force/Nlccforce.cpp rmg-release_2.1/Force/CMakeLists.txt rmg-release_2.1/Force/Lforce.cpp rmg-release_2.1/Force/constrain.c rmg-release_2.1/Force/Force.cpp rmg-release_2.1/Force/VirtualForces.cpp rmg-release_2.1/Force/CMakeFiles/ rmg-release_2.1/Force/CMakeFiles/CMakeDirectoryInformation.cmake rmg-release_2.1/Force/CMakeFiles/progress.marks rmg-release_2.1/Force/CMakeFiles/Force.dir/ rmg-release_2.1/Force/CMakeFiles/Force.dir/depend.make rmg-release_2.1/Force/CMakeFiles/Force.dir/build.make rmg-release_2.1/Force/CMakeFiles/Force.dir/flags.make rmg-release_2.1/Force/CMakeFiles/Force.dir/CXX.includecache rmg-release_2.1/Force/CMakeFiles/Force.dir/C.includecache rmg-release_2.1/Force/CMakeFiles/Force.dir/link.txt rmg-release_2.1/Force/CMakeFiles/Force.dir/Force.cpp.rpo 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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 -- Boost version: 1.53.0 -- Found the following Boost libraries: -- thread -- system -- iostreams -- program_options -- filesystem CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg.inc:5 (add_dependencies): Policy CMP0046 is not set: Error on non-existent dependency in add_dependencies. Run "cmake --help-policy CMP0046" for policy details. Use the cmake_policy command to set the policy and suppress this warning. The dependency target "libspg" of target "rmg-cpu" does not exist. Call Stack (most recent call first): CMakeLists.txt:589 (include) This warning is for project developers. Use -Wno-dev to suppress it. -- Configuring done nice make -j12 rmg-cpu -- Generating done -- Build files have been written to: /u/system/bwjenkins/rmg-spp/rmg-release_2.1/build-cpu [ 0%] [ 1%] Built target MG Built target InternalPseudo [ 5%] Built target XC1 [ 7%] Built target Force [ 8%] Built target RMG_Spin [ 17%] [ 20%] Built target RmgLib Built target XC [ 24%] Built target RMG_Subdiag [ 29%] Built target Finite_diff [ 34%] Built target Input [ 40%] Built target RMG_Spin_XC [ 49%] Built target US_PP [ 72%] Built target Misc [ 98%] Built target RMG_Common 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/ cp /projects/bluewaters/benchmarking/SPP/rmg/small/* ~/scratch/rmg-spp/ [100%] Built target rmg-cpu cd ~/scratch/rmg-spp cp ~/rmg-spp/rmg-release_2.1/build-cpu/rmg-cpu ./ cat run.pbs | sed -e "s/aprun/time aprun/g" > myrun.pbs cat -n myrun.pbs MYJOBID=`qsub myrun.pbs` qsub myrun.pbs 1 #!/bin/bash 2 #PBS -N zsmall 3 #PBS -j oe 4 #PBS -l walltime=2:00:00 5 #PBS -l nodes=20:ppn=32:xe 6 7 source /opt/modules/default/init/bash 8 module swap PrgEnv-cray PrgEnv-gnu 9 module load boost 10 module unload darshan 11 module list 12 13 cd $PBS_O_WORKDIR 14 15 export MPICH_MAX_THREAD_SAFETY=serialized 16 export OMP_WAIT_POLICY=passive 17 export MPICH_ENV_DISPLAY=1 18 ulimit -a 19 export MPICH_GNI_MBOX_PLACEMENT=nic 20 export MPICH_GNI_RDMA_THRESHOLD=1024 21 export MPICH_GNI_NUM_BUFS=512 22 export MPICH_GNI_MAX_EAGER_MSG_SIZE=65536 23 24 export OMP_NUM_THREADS=1 25 time aprun -n 640 -N 32 rmg-cpu 302waters.rmg_cpu 26 Job submitted to account: jnc echo MYJOBID=$MYJOBID ~arnoldg/ior/wait_for.sh $MYJOBID MYJOBID=6148331.bw === RUNNING /u/staff/arnoldg/ior/wait_for.sh === Tue Feb 14 13:40:19 CST 2017: waiting for 6148331.bw to finish Tue Feb 14 13:45:19 CST 2017: waiting for 6148331.bw to finish Tue Feb 14 13:50:19 CST 2017: waiting for 6148331.bw to finish Tue Feb 14 13:55:19 CST 2017: waiting for 6148331.bw to finish Tue Feb 14 14:00:20 CST 2017: waiting for 6148331.bw to finish qstat: Unknown Job Id Error 6148331.bw 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 6148331.bw finished 1 YVALUE= [SSH] exit-status: 0 [rmg-spp-newpe] $ /bin/sh -xe /tmp/hudson5324226827270353638.sh + scp 'BW_REMOTE:~/rmg-spp/*.txt' /var/lib/jenkins/workspace/rmg-spp-newpe 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 Water Admin Team + scp 'BW_REMOTE:~/rmg-spp/rmg.realtime' /var/lib/jenkins/workspace/rmg-spp-newpe 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 Water Admin Team Recording plot data Saving plot series data from: /var/lib/jenkins/workspace/rmg-spp-newpe/rmg.realtime Finished: SUCCESS