![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
Started by user Greg Bauer Building on master in workspace /var/lib/jenkins/workspace/nwchem-spp executing script: set -v rm -rf nwchem-spp mkdir nwchem-spp cd nwchem-spp tar xf ~arnoldg/spp/Nwchem*.tar cd nwchem-6.6 module swap craype craype/2.5.1 module swap PrgEnv-cray PrgEnv-gnu module add papi/5.4.1.3 export NWCHEM_TOP=`pwd` export NWCHEM_MODULES="nwpw driver stepper mp2_grad rimp2 ccsd property hessian vib" export FC=ftn export CC=cc export MSG_COMMS=MPI export TARGET=LINUX64 export NWCHEM_TARGET=LINUX64 export ARMCI_NETWORK=MPI-PR export HAS_BLAS=yes export BLAS_OPT='' export LIBMPI='' export USE_MPI=y export USE_MPIF=y export USE_MPIF4=y export USE_64TO32=y export MA_USE_ARMCI_MEM=Y export BLAS_SIZE=4 export LAPACK_SIZE=4 export SCALAPACK_SIZE=4 export SCALAPACK=-lsci_gnu export BLASOPT=-lsci_gnu export GA_DIR=ga-5-4 export USE_PAPI=y export PAPI_LIB=/opt/cray/papi/5.4.1.3/lib export PAPI_INCLUDE=/opt/cray/papi/5.4.1.3/include export USE_NOFSCHECK=TRUE export USE_NOIO=TRUE cd $NWCHEM_TOP/src make 64_to_32 # apply only once to the build or it will break #make realclean make nwchem_config make FC=ftn GA_DIR=ga-5-4 ls -l ~/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem echo "#!/bin/bash" > nwchem.pbs echo "#PBS -j oe" >> nwchem.pbs echo "#PBS -lnodes=100:ppn=32" >> nwchem.pbs echo "#PBS -lwalltime=00:30:00" >> nwchem.pbs echo "#PBS -N z05" >> nwchem.pbs echo "cd $PBS_O_WORKDIR" >> nwchem.pbs echo "cp ~arnoldg/spp/flops.nw ." >> nwchem.pbs echo "aprun -n 800 -N 8 -d 4 ~/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem flops.nw > job.t.out" >> nwchem.pbs echo "cp -f job.t.out ~/nwchem-spp/" >> nwchem.pbs echo "tail -100 job.t.out > job.t.out.100" >> nwchem.pbs echo "grep cpu: job.t.out > job.t.out.100.cpu" >> nwchem.pbs echo "cp -f job.t.out.* ~/nwchem-spp/ " >> nwchem.pbs cat -n nwchem.pbs MYJOBID=`qsub nwchem.pbs` echo MYJOBID=$MYJOBID ~arnoldg/ior/wait_for.sh $MYJOBID cd ~/nwchem-spp/ YVALUE=`cat job.t.out.100.cpu | grep Total | cut -d: -f3 | sed -e s/s//` echo YVALUE="$YVALUE" > totaltime.txt rm -rf nwchem-spp mkdir nwchem-spp cd nwchem-spp tar xf ~arnoldg/spp/Nwchem*.tar cd nwchem-6.6 module swap craype craype/2.5.1 ${MODULESHOME}/bin/modulecmd bash $* module swap PrgEnv-cray PrgEnv-gnu CRAYPE_DIR=/opt/cray/craype/2.5.1 ;export CRAYPE_DIR;CRAYPE_NETWORK_TARGET=gemini ;export CRAYPE_NETWORK_TARGET;CRAYPE_VERSION=2.5.1 ;export CRAYPE_VERSION;CRAY_CPU_TARGET=interlagos ;export CRAY_CPU_TARGET;CRAY_PRE_COMPILE_OPTS=-hnetwork=gemini ;export CRAY_PRE_COMPILE_OPTS;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1280.0:cce/8.4.6:craype-interlagos:craype-network-gemini:craype/2.5.1:cray-libsci/16.11.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.4:PrgEnv-cray/5.2.82:cray-mpich/7.5.0:torque/6.0.4:moab/9.0.2.TAS7-1490665589_71674cf-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:xalt/0.7.6.local:scripts:user-paths:gnuplot/5.0.5:darshan/3.1.3 ;export LOADEDMODULES;MANPATH=/sw/EasyBuild/software/gnuplot/5.0.5/share/man:/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t7/share/man/:/opt/torque/6.0.4/share/man:/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/atp/2.0.4/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.11.1/man:/opt/cray/man/csmlversion:/opt/cray/craype/2.5.1/man:/opt/cray/cce/8.4.6/man:/opt/cray/cce/8.4.6/craylibs/man:/opt/cray/cce/8.4.6/CC/man:/opt/cray/cce/8.4.6/cftn/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1280.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t7/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;MODULEPATH=/sw/EasyBuild/modules/all:/sw/bw/modulefiles:/sw/xe/modulefiles:/usr/local/modulefiles:/opt/cray/gem/modulefiles:/opt/cray/craype/2.5.1/modulefiles:/opt/cray/modulefiles:/opt/modulefiles ;export MODULEPATH;PATH=/sw/xe/darshan/3.1.3/darshan-3.1.3/bin:/sw/EasyBuild/software/gnuplot/5.0.5/bin:/sw/admin/scripts:/sw/user/scripts:/opt/xalt/0.7.6/sles11.3/libexec:/opt/xalt/0.7.6/sles11.3/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/9.0.2t7/sbin:/opt/torque/6.0.4/sbin:/opt/torque/6.0.4/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/cray/craype/2.5.1/bin:/opt/cray/cce/8.4.6/cray-binutils/x86_64-unknown-linux-gnu/bin:/opt/cray/cce/8.4.6/craylibs/x86-64/bin:/opt/cray/cce/8.4.6/cftn/bin:/opt/cray/cce/8.4.6/CC/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1280.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t7/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/hdf5/1.10.0/CRAY/8.3/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.4.1/CRAY/8.3/lib/pkgconfig:/opt/cray/ga/5.3.0.7/CRAY/8.4/lib/pkgconfig:/opt/cray/netcdf/4.4.1/CRAY/8.3/lib/pkgconfig:/opt/cray/hdf5-parallel/1.10.0/CRAY/8.3/lib/pkgconfig:/opt/cray/parallel-netcdf/1.7.0/CRAY/8.3/lib/pkgconfig ;export PE_CRAY_DEFAULT_FIXED_PKGCONFIG_PATH;PE_FFTW_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_FFTW_DEFAULT_REQUIRED_PRODUCTS;PE_FFTW_DEFAULT_TARGET_abudhabi=abudhabi ;export PE_FFTW_DEFAULT_TARGET_abudhabi;PE_FFTW_DEFAULT_TARGET_broadwell=broadwell ;export PE_FFTW_DEFAULT_TARGET_broadwell;PE_FFTW_DEFAULT_TARGET_haswell=haswell ;export PE_FFTW_DEFAULT_TARGET_haswell;PE_FFTW_DEFAULT_TARGET_interlagos=interlagos ;export PE_FFTW_DEFAULT_TARGET_interlagos;PE_FFTW_DEFAULT_TARGET_ivybridge=ivybridge ;export PE_FFTW_DEFAULT_TARGET_ivybridge;PE_FFTW_DEFAULT_TARGET_mic_knl=mic_knl ;export PE_FFTW_DEFAULT_TARGET_mic_knl;PE_FFTW_DEFAULT_TARGET_sandybridge=sandybridge ;export PE_FFTW_DEFAULT_TARGET_sandybridge;PE_FFTW_DEFAULT_TARGET_share=share ;export PE_FFTW_DEFAULT_TARGET_share;PE_FFTW_DEFAULT_TARGET_x86_64=x86_64 ;export PE_FFTW_DEFAULT_TARGET_x86_64;PE_FFTW_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/fftw/3.3.4.10/@PE_FFTW_DEFAULT_TARGET@/lib/pkgconfig ;export PE_FFTW_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_GA_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_GA_DEFAULT_FIXED_PRGENV;PE_GA_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_GA_DEFAULT_GENCOMPILERS_GNU;PE_GA_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_GA_DEFAULT_GENCOMPS_GNU;PE_GA_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/ga/5.3.0.7/@PRGENV@/@PE_GA_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_GA_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_GA_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_GA_DEFAULT_VOLATILE_PRGENV;PE_HDF5_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_HDF5_DEFAULT_FIXED_PRGENV;PE_HDF5_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_HDF5_DEFAULT_GENCOMPILERS_GNU;PE_HDF5_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_HDF5_DEFAULT_GENCOMPS_GNU;PE_HDF5_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/hdf5/1.10.0/@PRGENV@/@PE_HDF5_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_HDF5_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_HDF5_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_HDF5_DEFAULT_VOLATILE_PRGENV;PE_HDF5_PARALLEL_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_HDF5_PARALLEL_DEFAULT_FIXED_PRGENV;PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_GNU;PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_GNU;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/1.10.0/@PRGENV@/@PE_HDF5_PARALLEL_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PRGENV;PE_INTEL_DEFAULT_FIXED_PKGCONFIG_PATH=/opt/cray/hdf5/1.10.0/INTEL/15.0/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.4.1/INTEL/15.0/lib/pkgconfig:/opt/cray/ga/5.3.0.7/INTEL/15.0/lib/pkgconfig:/opt/cray/netcdf/4.4.1/INTEL/15.0/lib/pkgconfig:/opt/cray/mpt/7.5.0/gni/mpich-intel/16.0/lib/pkgconfig:/opt/cray/hdf5-parallel/1.10.0/INTEL/15.0/lib/pkgconfig:/opt/cray/parallel-netcdf/1.7.0/INTEL/15.0/lib/pkgconfig ;export PE_INTEL_DEFAULT_FIXED_PKGCONFIG_PATH;PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_GNU_x86_64=4.9 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPS_CRAY_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPS_GNU_x86_64=49 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPS_GNU_x86_64;PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia20=nv20 ;export PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia20;PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia35=nv35 ;export PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia35;PE_LIBSCI_ACC_DEFAULT_PKGCONFIG_VARIABLES=PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_@accelerator@ ;export PE_LIBSCI_ACC_DEFAULT_PKGCONFIG_VARIABLES;PE_LIBSCI_ACC_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_LIBSCI_ACC_DEFAULT_REQUIRED_PRODUCTS;PE_LIBSCI_ACC_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci_acc/16.03.1/@PRGENV@/@PE_LIBSCI_ACC_DEFAULT_GENCOMPS@/@PE_LIBSCI_ACC_DEFAULT_TARGET@/lib/pkgconfig ;export PE_LIBSCI_ACC_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_ACC_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU ;export PE_LIBSCI_ACC_DEFAULT_VOLATILE_PRGENV;PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_mic_knl=5.1 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_mic_knl=15.0 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_GNU_mic_knl=51 ;export PE_LIBSCI_DEFAULT_GENCOMPS_GNU_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_LIBSCI_DEFAULT_GENCOMPS_GNU_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_mic_knl=150 ;export PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_LIBSCI_DEFAULT_GENCOMPS_PGI_x86_64;PE_LIBSCI_DEFAULT_OMP_REQUIRES= ;export PE_LIBSCI_DEFAULT_OMP_REQUIRES;PE_LIBSCI_DEFAULT_OMP_REQUIRES_openmp=_mp ;export PE_LIBSCI_DEFAULT_OMP_REQUIRES_openmp;PE_LIBSCI_DEFAULT_PKGCONFIG_VARIABLES=PE_LIBSCI_DEFAULT_OMP_REQUIRES_@openmp@ ;export PE_LIBSCI_DEFAULT_PKGCONFIG_VARIABLES;PE_LIBSCI_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_LIBSCI_DEFAULT_REQUIRED_PRODUCTS;PE_LIBSCI_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci/16.11.1/@PRGENV@/@PE_LIBSCI_DEFAULT_GENCOMPS@/@PE_LIBSCI_DEFAULT_TARGET@/lib/pkgconfig ;export PE_LIBSCI_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU\ INTEL\ PGI ;export PE_LIBSCI_DEFAULT_VOLATILE_PRGENV;PE_MPICH_DEFAULT_DIR_CRAY_DEFAULT64=64 ;export PE_MPICH_DEFAULT_DIR_CRAY_DEFAULT64;PE_MPICH_DEFAULT_DIR_PGI_DEFAULT64=64 ;export PE_MPICH_DEFAULT_DIR_PGI_DEFAULT64;PE_MPICH_DEFAULT_FIXED_PRGENV=INTEL ;export PE_MPICH_DEFAULT_FIXED_PRGENV;PE_MPICH_DEFAULT_GENCOMPILERS_CRAY=8.4 ;export PE_MPICH_DEFAULT_GENCOMPILERS_CRAY;PE_MPICH_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_MPICH_DEFAULT_GENCOMPILERS_GNU;PE_MPICH_DEFAULT_GENCOMPILERS_PGI=15.3 ;export PE_MPICH_DEFAULT_GENCOMPILERS_PGI;PE_MPICH_DEFAULT_GENCOMPS_CRAY=84 ;export PE_MPICH_DEFAULT_GENCOMPS_CRAY;PE_MPICH_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_MPICH_DEFAULT_GENCOMPS_GNU;PE_MPICH_DEFAULT_GENCOMPS_PGI=153 ;export PE_MPICH_DEFAULT_GENCOMPS_PGI;PE_MPICH_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/mpich-@PRGENV@@PE_MPICH_DEFAULT_DIR_DEFAULT64@/@PE_MPICH_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_MPICH_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_MPICH_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU\ PGI ;export PE_MPICH_DEFAULT_VOLATILE_PRGENV;PE_MPICH_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_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/4.4.1/@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/4.4.1/@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_REQUIRED_PRODUCTS=PE_MPICH ;export PE_PARALLEL_NETCDF_DEFAULT_REQUIRED_PRODUCTS;PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/parallel-netcdf/1.7.0/@PRGENV@/@PE_PARALLEL_NETCDF_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PRGENV;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_haswell=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_interlagos=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_sandybridge=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_haswell=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_interlagos=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_sandybridge=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_haswell=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_interlagos=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_sandybridge=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_PGI_interlagos=15.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_PGI_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_PETSC_DEFAULT_GENCOMPS_CRAY_haswell=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_haswell;PE_PETSC_DEFAULT_GENCOMPS_CRAY_interlagos=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_interlagos;PE_PETSC_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_PETSC_DEFAULT_GENCOMPS_CRAY_sandybridge=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_x86_64;PE_PETSC_DEFAULT_GENCOMPS_GNU_haswell=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_haswell;PE_PETSC_DEFAULT_GENCOMPS_GNU_interlagos=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_interlagos;PE_PETSC_DEFAULT_GENCOMPS_GNU_sandybridge=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_x86_64;PE_PETSC_DEFAULT_GENCOMPS_INTEL_haswell=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_haswell;PE_PETSC_DEFAULT_GENCOMPS_INTEL_interlagos=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_interlagos;PE_PETSC_DEFAULT_GENCOMPS_INTEL_sandybridge=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_x86_64;PE_PETSC_DEFAULT_GENCOMPS_PGI_interlagos=153 ;export PE_PETSC_DEFAULT_GENCOMPS_PGI_interlagos;PE_PETSC_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_PETSC_DEFAULT_GENCOMPS_PGI_x86_64;PE_PETSC_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI:PE_HDF5_PARALLEL:PE_TPSL ;export PE_PETSC_DEFAULT_REQUIRED_PRODUCTS;PE_PETSC_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/petsc/3.7.2.1/complex/@PRGENV@/@PE_PETSC_DEFAULT_GENCOMPS@/@PE_PETSC_DEFAULT_TARGET@/lib/pkgconfig ;export PE_PETSC_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_PETSC_DEFAULT_VOLATILE_PRGENV=CRAY\ CRAY64\ GNU\ GNU64\ INTEL\ INTEL64\ PGI\ PGI64 ;export PE_PETSC_DEFAULT_VOLATILE_PRGENV;PE_PGI_DEFAULT_FIXED_PKGCONFIG_PATH=/opt/cray/hdf5/1.10.0/PGI/15.3/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.4.1/PGI/15.3/lib/pkgconfig:/opt/cray/ga/5.3.0.7/PGI/15.3/lib/pkgconfig:/opt/cray/netcdf/4.4.1/PGI/15.3/lib/pkgconfig:/opt/cray/hdf5-parallel/1.10.0/PGI/15.3/lib/pkgconfig:/opt/cray/parallel-netcdf/1.7.0/PGI/15.3/lib/pkgconfig ;export PE_PGI_DEFAULT_FIXED_PKGCONFIG_PATH;PE_PKGCONFIG_DEFAULT_PRODUCTS=PE_LIBSCI:PE_ACML:PE_HDF5:PE_NETCDF_HDF5PARALLEL:PE_PETSC:PE_FFTW:PE_GA:PE_TPSL_64:PE_TPSL:PE_LIBSCI_ACC:PE_TRILINOS:PE_NETCDF:PE_MPICH:PE_HDF5_PARALLEL:PE_PARALLEL_NETCDF ;export PE_PKGCONFIG_DEFAULT_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:CRAYPE:CRAYPE_INTERLAGOS:CRAY ;export PE_PRODUCT_LIST;PE_SMA_DEFAULT_COMPFLAG= ;export PE_SMA_DEFAULT_COMPFLAG;PE_SMA_DEFAULT_COMPFLAG_GNU=-fcray-pointer ;export PE_SMA_DEFAULT_COMPFLAG_GNU;PE_SMA_DEFAULT_DIR_CRAY_DEFAULT64=64 ;export PE_SMA_DEFAULT_DIR_CRAY_DEFAULT64;PE_SMA_DEFAULT_DIR_PGI_DEFAULT64=64 ;export PE_SMA_DEFAULT_DIR_PGI_DEFAULT64;PE_SMA_DEFAULT_PKGCONFIG_VARIABLES=PE_SMA_COMPFLAG_@prgenv@ ;export PE_SMA_DEFAULT_PKGCONFIG_VARIABLES;PE_SMA_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/sma@PE_SMA_DEFAULT_DIR_DEFAULT64@/lib64/pkgconfig ;export PE_SMA_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_haswell=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_haswell;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_interlagos=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_sandybridge=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_haswell=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_haswell;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_interlagos=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_sandybridge=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_haswell=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_haswell;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_interlagos=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_sandybridge=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_interlagos=15.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_haswell=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_haswell;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_interlagos=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_sandybridge=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_haswell=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_haswell;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_interlagos=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_sandybridge=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_haswell=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_haswell;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_interlagos=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_sandybridge=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_PGI_interlagos=153 ;export PE_TPSL_64_DEFAULT_GENCOMPS_PGI_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_TPSL_64_DEFAULT_GENCOMPS_PGI_x86_64;PE_TPSL_64_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_TPSL_64_DEFAULT_REQUIRED_PRODUCTS;PE_TPSL_64_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/tpsl/16.07.1/@PRGENV@64/@PE_TPSL_64_DEFAULT_GENCOMPS@/@PE_TPSL_64_DEFAULT_TARGET@/lib/pkgconfig ;export PE_TPSL_64_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TPSL_64_DEFAULT_VOLATILE_PRGENV=CRAY\ CRAY64\ GNU\ GNU64\ INTEL\ INTEL64\ PGI\ PGI64 ;export PE_TPSL_64_DEFAULT_VOLATILE_PRGENV;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_haswell=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_haswell;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_interlagos=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_sandybridge=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_sandybridge;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_haswell=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_haswell;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_interlagos=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_sandybridge=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_sandybridge;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_haswell=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_haswell;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_interlagos=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_sandybridge=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_sandybridge;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_TPSL_DEFAULT_GENCOMPILERS_PGI_interlagos=15.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_PGI_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_TPSL_DEFAULT_GENCOMPS_CRAY_haswell=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_haswell;PE_TPSL_DEFAULT_GENCOMPS_CRAY_interlagos=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_interlagos;PE_TPSL_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_TPSL_DEFAULT_GENCOMPS_CRAY_sandybridge=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_sandybridge;PE_TPSL_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_x86_64;PE_TPSL_DEFAULT_GENCOMPS_GNU_haswell=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_haswell;PE_TPSL_DEFAULT_GENCOMPS_GNU_interlagos=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_interlagos;PE_TPSL_DEFAULT_GENCOMPS_GNU_sandybridge=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_sandybridge;PE_TPSL_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_x86_64;PE_TPSL_DEFAULT_GENCOMPS_INTEL_haswell=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_haswell;PE_TPSL_DEFAULT_GENCOMPS_INTEL_interlagos=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_interlagos;PE_TPSL_DEFAULT_GENCOMPS_INTEL_sandybridge=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_sandybridge;PE_TPSL_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_x86_64;PE_TPSL_DEFAULT_GENCOMPS_PGI_interlagos=153 ;export PE_TPSL_DEFAULT_GENCOMPS_PGI_interlagos;PE_TPSL_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_TPSL_DEFAULT_GENCOMPS_PGI_x86_64;PE_TPSL_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_TPSL_DEFAULT_REQUIRED_PRODUCTS;PE_TPSL_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/tpsl/16.07.1/@PRGENV@/@PE_TPSL_DEFAULT_GENCOMPS@/@PE_TPSL_DEFAULT_TARGET@/lib/pkgconfig ;export PE_TPSL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TPSL_DEFAULT_VOLATILE_PRGENV=CRAY\ CRAY64\ GNU\ GNU64\ INTEL\ INTEL64\ PGI\ PGI64 ;export PE_TPSL_DEFAULT_VOLATILE_PRGENV;PE_TRILINOS_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.5 ;export PE_TRILINOS_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_TRILINOS_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_TRILINOS_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_TRILINOS_DEFAULT_GENCOMPS_CRAY_x86_64=85 ;export PE_TRILINOS_DEFAULT_GENCOMPS_CRAY_x86_64;PE_TRILINOS_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_TRILINOS_DEFAULT_GENCOMPS_GNU_x86_64;PE_TRILINOS_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_HDF5_PARALLEL:PE_NETCDF_HDF5PARALLEL:PE_LIBSCI:PE_TPSL ;export PE_TRILINOS_DEFAULT_REQUIRED_PRODUCTS;PE_TRILINOS_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/trilinos/12.6.3.3/@PRGENV@/@PE_TRILINOS_DEFAULT_GENCOMPS@/@PE_TRILINOS_DEFAULT_TARGET@/lib/pkgconfig ;export PE_TRILINOS_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TRILINOS_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU ;export PE_TRILINOS_DEFAULT_VOLATILE_PRGENV;PKGCONFIG_ENABLED=1 ;export PKGCONFIG_ENABLED;PKG_CONFIG_PATH=/sw/xe/darshan/3.1.3/darshan-3.1.3/lib/pkgconfig:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64/pkgconfig:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64/pkgconfig:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64/pkgconfig:/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/lib64/pkgconfig:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64/pkgconfig:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64/pkgconfig:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64/pkgconfig:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64/pkgconfig:/opt/cray/craype/2.5.1/pkg-config:/opt/cray/iobuf/2.0.7/lib/pkgconfig:/opt/cray/atp/2.0.4/lib/pkgconfig ;export PKG_CONFIG_PATH;PKG_CONFIG_PATH_DEFAULT=/opt/cray/papi/5.5.0.1/lib64/pkgconfig ;export PKG_CONFIG_PATH_DEFAULT;XTPE_NETWORK_TARGET=gemini ;export XTPE_NETWORK_TARGET;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1280.0:/opt/modulefiles/cce/8.4.6:/opt/cray/craype/2.5.1/modulefiles/craype-interlagos:/opt/cray/craype/2.5.1/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.1:/opt/cray/modulefiles/cray-libsci/16.11.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.4:/opt/cray/modulefiles/PrgEnv-cray/5.2.82:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/modulefiles/torque/6.0.4:/opt/modulefiles/moab/9.0.2.TAS7-1490665589_71674cf-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/opt/modulefiles/xalt/0.7.6.local:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/EasyBuild/modules/all/gnuplot/5.0.5:/sw/xe/modulefiles/darshan/3.1.3 ;export _LMFILES_; ${MODULESHOME}/bin/modulecmd bash $* ATP_HOME=/opt/cray/atp/2.0.4 ;export ATP_HOME;ATP_IGNORE_SIGTERM=1 ;export ATP_IGNORE_SIGTERM;ATP_MRNET_COMM_PATH=/opt/cray/atp/2.0.4/libexec/atp_mrnet_commnode_wrapper ;export ATP_MRNET_COMM_PATH;ATP_POST_LINK_OPTS=-Wl,-L/opt/cray/atp/2.0.4/libApp/\ ;export ATP_POST_LINK_OPTS;CRAYOS_VERSION=5.2.82 ;export CRAYOS_VERSION;CRAYPE_DIR=/opt/cray/craype/2.5.1 ;export CRAYPE_DIR;CRAYPE_NETWORK_TARGET=gemini ;export CRAYPE_NETWORK_TARGET;CRAYPE_VERSION=2.5.1 ;export CRAYPE_VERSION;CRAY_ALPS_INCLUDE_OPTS=-I/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/include ;export CRAY_ALPS_INCLUDE_OPTS;CRAY_ALPS_POST_LINK_OPTS=-L/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64 ;export CRAY_ALPS_POST_LINK_OPTS;CRAY_CPU_TARGET=interlagos ;export CRAY_CPU_TARGET;CRAY_DMAPP_INCLUDE_OPTS=-I/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/include\ -I/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/include\ ;export CRAY_DMAPP_INCLUDE_OPTS;CRAY_DMAPP_POST_LINK_OPTS=-L/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64 ;export CRAY_DMAPP_POST_LINK_OPTS;CRAY_GNI_HEADERS_INCLUDE_OPTS=-I/opt/cray/gni-headers/4.0-1.0502.10859.7.8.gem/include ;export CRAY_GNI_HEADERS_INCLUDE_OPTS;CRAY_LD_LIBRARY_PATH=/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64:/opt/cray/libsci/16.11.1/GNU/4.9/x86_64/lib:/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib ;export CRAY_LD_LIBRARY_PATH;CRAY_LIBSCI_BASE_DIR=/opt/cray/libsci/16.11.1 ;export CRAY_LIBSCI_BASE_DIR;CRAY_LIBSCI_DIR=/opt/cray/libsci/16.11.1 ;export CRAY_LIBSCI_DIR;CRAY_LIBSCI_PREFIX_DIR=/opt/cray/libsci/16.11.1/GNU/4.9/x86_64 ;export CRAY_LIBSCI_PREFIX_DIR;CRAY_LIBSCI_VERSION=16.11.1 ;export CRAY_LIBSCI_VERSION;CRAY_MPICH2_DIR=/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9 ;export CRAY_MPICH2_DIR;CRAY_MPICH2_VER=7.5.0 ;export CRAY_MPICH2_VER;CRAY_MPICH_BASEDIR=/opt/cray/mpt/7.5.0/gni ;export CRAY_MPICH_BASEDIR;CRAY_MPICH_DIR=/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9 ;export CRAY_MPICH_DIR;CRAY_MPICH_ROOTDIR=/opt/cray/mpt/7.5.0 ;export CRAY_MPICH_ROOTDIR;CRAY_PMI_INCLUDE_OPTS=-I/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/include ;export CRAY_PMI_INCLUDE_OPTS;CRAY_PMI_POST_LINK_OPTS=-L/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64 ;export CRAY_PMI_POST_LINK_OPTS;CRAY_PRE_COMPILE_OPTS=-hnetwork=gemini ;export CRAY_PRE_COMPILE_OPTS;CRAY_PRGENVGNU=loaded ;export CRAY_PRGENVGNU;CRAY_RCA_INCLUDE_OPTS=-I/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/include\ -I/opt/cray/krca/1.0.0-2.0502.63139.4.30.gem/include\ -I/opt/cray-hss-devel/7.2.0/include\ ;export CRAY_RCA_INCLUDE_OPTS;CRAY_RCA_POST_LINK_OPTS=-L/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64\ -lrca\ ;export CRAY_RCA_POST_LINK_OPTS;CRAY_UDREG_INCLUDE_OPTS=-I/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/include ;export CRAY_UDREG_INCLUDE_OPTS;CRAY_UDREG_POST_LINK_OPTS=-L/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64 ;export CRAY_UDREG_POST_LINK_OPTS;CRAY_UGNI_INCLUDE_OPTS=-I/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/include ;export CRAY_UGNI_INCLUDE_OPTS;CRAY_UGNI_POST_LINK_OPTS=-L/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64 ;export CRAY_UGNI_POST_LINK_OPTS;CRAY_XPMEM_INCLUDE_OPTS=-I/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/include ;export CRAY_XPMEM_INCLUDE_OPTS;CRAY_XPMEM_POST_LINK_OPTS=-L/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64 ;export CRAY_XPMEM_POST_LINK_OPTS;DMAPP_ABORT_ON_ERROR=1 ;export DMAPP_ABORT_ON_ERROR;DVS_INCLUDE_OPTS=-I/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/include ;export DVS_INCLUDE_OPTS;DVS_VERSION=0.9.0 ;export DVS_VERSION;GCC_PATH=/opt/gcc/4.9.3 ;export GCC_PATH;GCC_VERSION=4.9.3 ;export GCC_VERSION;GNU_VERSION=4.9.3 ;export GNU_VERSION;INFOPATH=/opt/gcc/4.9.3/snos/share/info:/usr/local/info:/usr/share/info:/usr/info ;export INFOPATH;LD_LIBRARY_PATH=/opt/gcc/4.9.3/snos/lib64:/sw/xe/darshan/3.1.3/darshan-3.1.3/lib:/usr/local/globus-5.2.5/lib64:/usr/local/globus/lib64 ;export LD_LIBRARY_PATH;LIBSCI_BASE_DIR=/opt/cray/libsci/16.11.1 ;export LIBSCI_BASE_DIR;LIBSCI_VERSION=16.11.1 ;export LIBSCI_VERSION;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1280.0:gcc/4.9.3:craype-interlagos:craype-network-gemini:craype/2.5.1:cray-mpich/7.5.0:torque/6.0.4:moab/9.0.2.TAS7-1490665589_71674cf-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:xalt/0.7.6.local:scripts:user-paths:gnuplot/5.0.5:darshan/3.1.3:cray-libsci/16.11.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.4:PrgEnv-gnu/5.2.82 ;export LOADEDMODULES;MANPATH=/opt/cray/atp/2.0.4/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.11.1/man:/opt/cray/man/csmlversion:/opt/gcc/4.9.3/snos/share/man:/sw/EasyBuild/software/gnuplot/5.0.5/share/man:/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t7/share/man/:/opt/torque/6.0.4/share/man:/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/craype/2.5.1/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1280.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t7/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;MODULEPATH=/sw/EasyBuild/modules/all:/sw/bw/modulefiles:/sw/xe/modulefiles:/usr/local/modulefiles:/opt/cray/gem/modulefiles:/opt/cray/craype/2.5.1/modulefiles:/opt/cray/modulefiles:/opt/modulefiles ;export MODULEPATH;MPICH_ABORT_ON_ERROR=1 ;export MPICH_ABORT_ON_ERROR;MPICH_DIR=/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9 ;export MPICH_DIR;PATH=/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/gcc/4.9.3/bin:/sw/xe/darshan/3.1.3/darshan-3.1.3/bin:/sw/EasyBuild/software/gnuplot/5.0.5/bin:/sw/admin/scripts:/sw/user/scripts:/opt/xalt/0.7.6/sles11.3/libexec:/opt/xalt/0.7.6/sles11.3/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/9.0.2t7/sbin:/opt/torque/6.0.4/sbin:/opt/torque/6.0.4/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/craype/2.5.1/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1280.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t7/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/hdf5/1.10.0/CRAY/8.3/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.4.1/CRAY/8.3/lib/pkgconfig:/opt/cray/ga/5.3.0.7/CRAY/8.4/lib/pkgconfig:/opt/cray/netcdf/4.4.1/CRAY/8.3/lib/pkgconfig:/opt/cray/hdf5-parallel/1.10.0/CRAY/8.3/lib/pkgconfig:/opt/cray/parallel-netcdf/1.7.0/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_abudhabi=abudhabi ;export PE_FFTW_DEFAULT_TARGET_abudhabi;PE_FFTW_DEFAULT_TARGET_broadwell=broadwell ;export PE_FFTW_DEFAULT_TARGET_broadwell;PE_FFTW_DEFAULT_TARGET_haswell=haswell ;export PE_FFTW_DEFAULT_TARGET_haswell;PE_FFTW_DEFAULT_TARGET_interlagos=interlagos ;export PE_FFTW_DEFAULT_TARGET_interlagos;PE_FFTW_DEFAULT_TARGET_ivybridge=ivybridge ;export PE_FFTW_DEFAULT_TARGET_ivybridge;PE_FFTW_DEFAULT_TARGET_mic_knl=mic_knl ;export PE_FFTW_DEFAULT_TARGET_mic_knl;PE_FFTW_DEFAULT_TARGET_sandybridge=sandybridge ;export PE_FFTW_DEFAULT_TARGET_sandybridge;PE_FFTW_DEFAULT_TARGET_share=share ;export PE_FFTW_DEFAULT_TARGET_share;PE_FFTW_DEFAULT_TARGET_x86_64=x86_64 ;export PE_FFTW_DEFAULT_TARGET_x86_64;PE_FFTW_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/fftw/3.3.4.10/@PE_FFTW_DEFAULT_TARGET@/lib/pkgconfig ;export PE_FFTW_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_FORTRAN_PKGCONFIG_LIBS;PE_GA_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_GA_DEFAULT_FIXED_PRGENV;PE_GA_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_GA_DEFAULT_GENCOMPILERS_GNU;PE_GA_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_GA_DEFAULT_GENCOMPS_GNU;PE_GA_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/ga/5.3.0.7/@PRGENV@/@PE_GA_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_GA_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_GA_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_GA_DEFAULT_VOLATILE_PRGENV;PE_HDF5_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_HDF5_DEFAULT_FIXED_PRGENV;PE_HDF5_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_HDF5_DEFAULT_GENCOMPILERS_GNU;PE_HDF5_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_HDF5_DEFAULT_GENCOMPS_GNU;PE_HDF5_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/hdf5/1.10.0/@PRGENV@/@PE_HDF5_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_HDF5_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_HDF5_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_HDF5_DEFAULT_VOLATILE_PRGENV;PE_HDF5_PARALLEL_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_HDF5_PARALLEL_DEFAULT_FIXED_PRGENV;PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPILERS_GNU;PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_HDF5_PARALLEL_DEFAULT_GENCOMPS_GNU;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/1.10.0/@PRGENV@/@PE_HDF5_PARALLEL_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_HDF5_PARALLEL_DEFAULT_VOLATILE_PRGENV;PE_INTEL_DEFAULT_FIXED_PKGCONFIG_PATH=/opt/cray/hdf5/1.10.0/INTEL/15.0/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.4.1/INTEL/15.0/lib/pkgconfig:/opt/cray/ga/5.3.0.7/INTEL/15.0/lib/pkgconfig:/opt/cray/netcdf/4.4.1/INTEL/15.0/lib/pkgconfig:/opt/cray/mpt/7.5.0/gni/mpich-intel/16.0/lib/pkgconfig:/opt/cray/hdf5-parallel/1.10.0/INTEL/15.0/lib/pkgconfig:/opt/cray/parallel-netcdf/1.7.0/INTEL/15.0/lib/pkgconfig ;export PE_INTEL_DEFAULT_FIXED_PKGCONFIG_PATH;PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_GNU_x86_64=4.9 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPS_CRAY_x86_64;PE_LIBSCI_ACC_DEFAULT_GENCOMPS_GNU_x86_64=49 ;export PE_LIBSCI_ACC_DEFAULT_GENCOMPS_GNU_x86_64;PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia20=nv20 ;export PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia20;PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia35=nv35 ;export PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_nvidia35;PE_LIBSCI_ACC_DEFAULT_PKGCONFIG_VARIABLES=PE_LIBSCI_ACC_DEFAULT_NV_SUFFIX_@accelerator@ ;export PE_LIBSCI_ACC_DEFAULT_PKGCONFIG_VARIABLES;PE_LIBSCI_ACC_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_LIBSCI_ACC_DEFAULT_REQUIRED_PRODUCTS;PE_LIBSCI_ACC_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci_acc/16.03.1/@PRGENV@/@PE_LIBSCI_ACC_DEFAULT_GENCOMPS@/@PE_LIBSCI_ACC_DEFAULT_TARGET@/lib/pkgconfig ;export PE_LIBSCI_ACC_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_ACC_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU ;export PE_LIBSCI_ACC_DEFAULT_VOLATILE_PRGENV;PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_mic_knl=5.1 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_mic_knl=15.0 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_LIBSCI_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_LIBSCI_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_DEFAULT_GENCOMPS_CRAY_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_GNU_mic_knl=51 ;export PE_LIBSCI_DEFAULT_GENCOMPS_GNU_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_LIBSCI_DEFAULT_GENCOMPS_GNU_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_mic_knl=150 ;export PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_mic_knl;PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_LIBSCI_DEFAULT_GENCOMPS_INTEL_x86_64;PE_LIBSCI_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_LIBSCI_DEFAULT_GENCOMPS_PGI_x86_64;PE_LIBSCI_DEFAULT_OMP_REQUIRES= ;export PE_LIBSCI_DEFAULT_OMP_REQUIRES;PE_LIBSCI_DEFAULT_OMP_REQUIRES_openmp=_mp ;export PE_LIBSCI_DEFAULT_OMP_REQUIRES_openmp;PE_LIBSCI_DEFAULT_PKGCONFIG_VARIABLES=PE_LIBSCI_DEFAULT_OMP_REQUIRES_@openmp@ ;export PE_LIBSCI_DEFAULT_PKGCONFIG_VARIABLES;PE_LIBSCI_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH ;export PE_LIBSCI_DEFAULT_REQUIRED_PRODUCTS;PE_LIBSCI_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci/16.11.1/@PRGENV@/@PE_LIBSCI_DEFAULT_GENCOMPS@/@PE_LIBSCI_DEFAULT_TARGET@/lib/pkgconfig ;export PE_LIBSCI_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU\ INTEL\ PGI ;export PE_LIBSCI_DEFAULT_VOLATILE_PRGENV;PE_LIBSCI_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_LIBSCI_GENCOMPILERS_CRAY_mic_knl;PE_LIBSCI_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_LIBSCI_GENCOMPILERS_CRAY_x86_64;PE_LIBSCI_GENCOMPILERS_GNU_mic_knl=5.1 ;export PE_LIBSCI_GENCOMPILERS_GNU_mic_knl;PE_LIBSCI_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_LIBSCI_GENCOMPILERS_GNU_x86_64;PE_LIBSCI_GENCOMPILERS_INTEL_mic_knl=15.0 ;export PE_LIBSCI_GENCOMPILERS_INTEL_mic_knl;PE_LIBSCI_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_LIBSCI_GENCOMPILERS_INTEL_x86_64;PE_LIBSCI_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_LIBSCI_GENCOMPILERS_PGI_x86_64;PE_LIBSCI_GENCOMPS_CRAY_mic_knl=85 ;export PE_LIBSCI_GENCOMPS_CRAY_mic_knl;PE_LIBSCI_GENCOMPS_CRAY_x86_64=83 ;export PE_LIBSCI_GENCOMPS_CRAY_x86_64;PE_LIBSCI_GENCOMPS_GNU_mic_knl=51 ;export PE_LIBSCI_GENCOMPS_GNU_mic_knl;PE_LIBSCI_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_LIBSCI_GENCOMPS_GNU_x86_64;PE_LIBSCI_GENCOMPS_INTEL_mic_knl=150 ;export PE_LIBSCI_GENCOMPS_INTEL_mic_knl;PE_LIBSCI_GENCOMPS_INTEL_x86_64=150 ;export PE_LIBSCI_GENCOMPS_INTEL_x86_64;PE_LIBSCI_GENCOMPS_PGI_x86_64=153 ;export PE_LIBSCI_GENCOMPS_PGI_x86_64;PE_LIBSCI_MODULE_NAME=cray-libsci/16.11.1 ;export PE_LIBSCI_MODULE_NAME;PE_LIBSCI_OMP_REQUIRES= ;export PE_LIBSCI_OMP_REQUIRES;PE_LIBSCI_OMP_REQUIRES_openmp=_mp ;export PE_LIBSCI_OMP_REQUIRES_openmp;PE_LIBSCI_PKGCONFIG_LIBS=libsci_mpi:libsci ;export PE_LIBSCI_PKGCONFIG_LIBS;PE_LIBSCI_PKGCONFIG_VARIABLES=PE_LIBSCI_OMP_REQUIRES_@openmp@ ;export PE_LIBSCI_PKGCONFIG_VARIABLES;PE_LIBSCI_REQUIRED_PRODUCTS=PE_MPICH ;export PE_LIBSCI_REQUIRED_PRODUCTS;PE_LIBSCI_VOLATILE_PKGCONFIG_PATH=/opt/cray/libsci/16.11.1/@PRGENV@/@PE_LIBSCI_GENCOMPS@/@PE_LIBSCI_TARGET@/lib/pkgconfig ;export PE_LIBSCI_VOLATILE_PKGCONFIG_PATH;PE_LIBSCI_VOLATILE_PRGENV=CRAY\ GNU\ INTEL\ PGI ;export PE_LIBSCI_VOLATILE_PRGENV;PE_MPICH_CXX_PKGCONFIG_LIBS=mpichcxx ;export PE_MPICH_CXX_PKGCONFIG_LIBS;PE_MPICH_DEFAULT_DIR_CRAY_DEFAULT64=64 ;export PE_MPICH_DEFAULT_DIR_CRAY_DEFAULT64;PE_MPICH_DEFAULT_DIR_PGI_DEFAULT64=64 ;export PE_MPICH_DEFAULT_DIR_PGI_DEFAULT64;PE_MPICH_DEFAULT_FIXED_PRGENV=INTEL ;export PE_MPICH_DEFAULT_FIXED_PRGENV;PE_MPICH_DEFAULT_GENCOMPILERS_CRAY=8.4 ;export PE_MPICH_DEFAULT_GENCOMPILERS_CRAY;PE_MPICH_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_MPICH_DEFAULT_GENCOMPILERS_GNU;PE_MPICH_DEFAULT_GENCOMPILERS_PGI=15.3 ;export PE_MPICH_DEFAULT_GENCOMPILERS_PGI;PE_MPICH_DEFAULT_GENCOMPS_CRAY=84 ;export PE_MPICH_DEFAULT_GENCOMPS_CRAY;PE_MPICH_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_MPICH_DEFAULT_GENCOMPS_GNU;PE_MPICH_DEFAULT_GENCOMPS_PGI=153 ;export PE_MPICH_DEFAULT_GENCOMPS_PGI;PE_MPICH_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/mpich-@PRGENV@@PE_MPICH_DEFAULT_DIR_DEFAULT64@/@PE_MPICH_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_MPICH_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_MPICH_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU\ PGI ;export PE_MPICH_DEFAULT_VOLATILE_PRGENV;PE_MPICH_FORTRAN_PKGCONFIG_LIBS=mpichf90 ;export PE_MPICH_FORTRAN_PKGCONFIG_LIBS;PE_MPICH_MODULE_NAME=cray-mpich ;export PE_MPICH_MODULE_NAME;PE_MPICH_MULTITHREADED_LIBS_multithreaded=_mt ;export PE_MPICH_MULTITHREADED_LIBS_multithreaded;PE_MPICH_NV_LIBS= ;export PE_MPICH_NV_LIBS;PE_MPICH_NV_LIBS_nvidia20=-lcudart ;export PE_MPICH_NV_LIBS_nvidia20;PE_MPICH_NV_LIBS_nvidia35=-lcudart ;export PE_MPICH_NV_LIBS_nvidia35;PE_MPICH_PKGCONFIG_LIBS=mpich ;export PE_MPICH_PKGCONFIG_LIBS;PE_MPICH_PKGCONFIG_VARIABLES=PE_MPICH_NV_LIBS_@accelerator@:PE_MPICH_MULTITHREADED_LIBS_@multithreaded@ ;export PE_MPICH_PKGCONFIG_VARIABLES;PE_MPICH_TARGET_VAR_nvidia20=-lcudart ;export PE_MPICH_TARGET_VAR_nvidia20;PE_MPICH_TARGET_VAR_nvidia35=-lcudart ;export PE_MPICH_TARGET_VAR_nvidia35;PE_NETCDF_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_NETCDF_DEFAULT_FIXED_PRGENV;PE_NETCDF_DEFAULT_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/4.4.1/@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/4.4.1/@PRGENV@/@PE_NETCDF_HDF5PARALLEL_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_NETCDF_HDF5PARALLEL_DEFAULT_VOLATILE_PRGENV;PE_PAPI_DEFAULT_ACCEL_LIBS= ;export PE_PAPI_DEFAULT_ACCEL_LIBS;PE_PAPI_DEFAULT_ACCEL_LIBS_nvidia35=,-lcupti,-lcudart,-lcuda ;export PE_PAPI_DEFAULT_ACCEL_LIBS_nvidia35;PE_PAPI_DEFAULT_PKGCONFIG_VARIABLES=PE_PAPI_ACCEL_LIBS_@accelerator@ ;export PE_PAPI_DEFAULT_PKGCONFIG_VARIABLES;PE_PAPI_DEFAULT_TARGET_VAR_nvidia35=,-lcupti,-lcudart,-lcuda ;export PE_PAPI_DEFAULT_TARGET_VAR_nvidia35;PE_PARALLEL_NETCDF_DEFAULT_FIXED_PRGENV=CRAY\ PGI\ INTEL ;export PE_PARALLEL_NETCDF_DEFAULT_FIXED_PRGENV;PE_PARALLEL_NETCDF_DEFAULT_GENCOMPILERS_GNU=5.1\ 4.9 ;export PE_PARALLEL_NETCDF_DEFAULT_GENCOMPILERS_GNU;PE_PARALLEL_NETCDF_DEFAULT_GENCOMPS_GNU=51\ 49 ;export PE_PARALLEL_NETCDF_DEFAULT_GENCOMPS_GNU;PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/parallel-netcdf/1.7.0/@PRGENV@/@PE_PARALLEL_NETCDF_DEFAULT_GENCOMPS@/lib/pkgconfig ;export PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PRGENV=GNU ;export PE_PARALLEL_NETCDF_DEFAULT_VOLATILE_PRGENV;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_haswell=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_interlagos=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_sandybridge=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_haswell=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_interlagos=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_sandybridge=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_PETSC_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_haswell=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_haswell;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_interlagos=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_sandybridge=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_sandybridge;PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_PETSC_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_PETSC_DEFAULT_GENCOMPILERS_PGI_interlagos=15.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_PGI_interlagos;PE_PETSC_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_PETSC_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_PETSC_DEFAULT_GENCOMPS_CRAY_haswell=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_haswell;PE_PETSC_DEFAULT_GENCOMPS_CRAY_interlagos=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_interlagos;PE_PETSC_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_PETSC_DEFAULT_GENCOMPS_CRAY_sandybridge=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_PETSC_DEFAULT_GENCOMPS_CRAY_x86_64;PE_PETSC_DEFAULT_GENCOMPS_GNU_haswell=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_haswell;PE_PETSC_DEFAULT_GENCOMPS_GNU_interlagos=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_interlagos;PE_PETSC_DEFAULT_GENCOMPS_GNU_sandybridge=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_PETSC_DEFAULT_GENCOMPS_GNU_x86_64;PE_PETSC_DEFAULT_GENCOMPS_INTEL_haswell=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_haswell;PE_PETSC_DEFAULT_GENCOMPS_INTEL_interlagos=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_interlagos;PE_PETSC_DEFAULT_GENCOMPS_INTEL_sandybridge=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_sandybridge;PE_PETSC_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_PETSC_DEFAULT_GENCOMPS_INTEL_x86_64;PE_PETSC_DEFAULT_GENCOMPS_PGI_interlagos=153 ;export PE_PETSC_DEFAULT_GENCOMPS_PGI_interlagos;PE_PETSC_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_PETSC_DEFAULT_GENCOMPS_PGI_x86_64;PE_PETSC_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI:PE_HDF5_PARALLEL:PE_TPSL ;export PE_PETSC_DEFAULT_REQUIRED_PRODUCTS;PE_PETSC_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/petsc/3.7.2.1/complex/@PRGENV@/@PE_PETSC_DEFAULT_GENCOMPS@/@PE_PETSC_DEFAULT_TARGET@/lib/pkgconfig ;export PE_PETSC_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_PETSC_DEFAULT_VOLATILE_PRGENV=CRAY\ CRAY64\ GNU\ GNU64\ INTEL\ INTEL64\ PGI\ PGI64 ;export PE_PETSC_DEFAULT_VOLATILE_PRGENV;PE_PGI_DEFAULT_FIXED_PKGCONFIG_PATH=/opt/cray/hdf5/1.10.0/PGI/15.3/lib/pkgconfig:/opt/cray/netcdf-hdf5parallel/4.4.1/PGI/15.3/lib/pkgconfig:/opt/cray/ga/5.3.0.7/PGI/15.3/lib/pkgconfig:/opt/cray/netcdf/4.4.1/PGI/15.3/lib/pkgconfig:/opt/cray/hdf5-parallel/1.10.0/PGI/15.3/lib/pkgconfig:/opt/cray/parallel-netcdf/1.7.0/PGI/15.3/lib/pkgconfig ;export PE_PGI_DEFAULT_FIXED_PKGCONFIG_PATH;PE_PKGCONFIG_DEFAULT_PRODUCTS=PE_LIBSCI:PE_ACML:PE_HDF5:PE_NETCDF_HDF5PARALLEL:PE_PETSC:PE_FFTW:PE_GA:PE_TPSL_64:PE_TPSL:PE_LIBSCI_ACC:PE_TRILINOS:PE_NETCDF:PE_MPICH:PE_HDF5_PARALLEL:PE_PARALLEL_NETCDF ;export PE_PKGCONFIG_DEFAULT_PRODUCTS;PE_PKGCONFIG_LIBS=AtpSigHandler:cray-rca:libsci_mpi:libsci:darshan-runtime:mpich ;export PE_PKGCONFIG_LIBS;PE_PKGCONFIG_PRODUCTS=PE_LIBSCI:PE_MPICH ;export PE_PKGCONFIG_PRODUCTS;PE_PKGCONFIG_PRODUCTS_DEFAULT=PE_PAPI ;export PE_PKGCONFIG_PRODUCTS_DEFAULT;PE_PKG_CONFIG_PATH=/opt/cray/cti/1.0.4/lib/pkgconfig ;export PE_PKG_CONFIG_PATH;PE_PRODUCT_LIST=CRAY_RCA:CRAY_ALPS:DVS:CRAY_XPMEM:CRAY_DMAPP:CRAY_PMI:CRAY_UGNI:CRAY_UDREG:CRAY_LIBSCI:GNU:GCC:CRAYPE:CRAYPE_INTERLAGOS ;export PE_PRODUCT_LIST;PE_SMA_DEFAULT_COMPFLAG= ;export PE_SMA_DEFAULT_COMPFLAG;PE_SMA_DEFAULT_COMPFLAG_GNU=-fcray-pointer ;export PE_SMA_DEFAULT_COMPFLAG_GNU;PE_SMA_DEFAULT_DIR_CRAY_DEFAULT64=64 ;export PE_SMA_DEFAULT_DIR_CRAY_DEFAULT64;PE_SMA_DEFAULT_DIR_PGI_DEFAULT64=64 ;export PE_SMA_DEFAULT_DIR_PGI_DEFAULT64;PE_SMA_DEFAULT_PKGCONFIG_VARIABLES=PE_SMA_COMPFLAG_@prgenv@ ;export PE_SMA_DEFAULT_PKGCONFIG_VARIABLES;PE_SMA_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/mpt/7.5.0/gni/sma@PE_SMA_DEFAULT_DIR_DEFAULT64@/lib64/pkgconfig ;export PE_SMA_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_haswell=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_haswell;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_interlagos=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_sandybridge=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_haswell=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_haswell;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_interlagos=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_sandybridge=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_haswell=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_haswell;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_interlagos=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_sandybridge=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_interlagos=15.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_interlagos;PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_TPSL_64_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_haswell=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_haswell;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_interlagos=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_sandybridge=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_TPSL_64_DEFAULT_GENCOMPS_CRAY_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_haswell=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_haswell;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_interlagos=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_sandybridge=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_TPSL_64_DEFAULT_GENCOMPS_GNU_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_haswell=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_haswell;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_interlagos=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_sandybridge=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_sandybridge;PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_TPSL_64_DEFAULT_GENCOMPS_INTEL_x86_64;PE_TPSL_64_DEFAULT_GENCOMPS_PGI_interlagos=153 ;export PE_TPSL_64_DEFAULT_GENCOMPS_PGI_interlagos;PE_TPSL_64_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_TPSL_64_DEFAULT_GENCOMPS_PGI_x86_64;PE_TPSL_64_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_TPSL_64_DEFAULT_REQUIRED_PRODUCTS;PE_TPSL_64_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/tpsl/16.07.1/@PRGENV@64/@PE_TPSL_64_DEFAULT_GENCOMPS@/@PE_TPSL_64_DEFAULT_TARGET@/lib/pkgconfig ;export PE_TPSL_64_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TPSL_64_DEFAULT_VOLATILE_PRGENV=CRAY\ CRAY64\ GNU\ GNU64\ INTEL\ INTEL64\ PGI\ PGI64 ;export PE_TPSL_64_DEFAULT_VOLATILE_PRGENV;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_haswell=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_haswell;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_interlagos=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_mic_knl=8.5 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_mic_knl;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_sandybridge=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_sandybridge;PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_haswell=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_haswell;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_interlagos=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_sandybridge=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_sandybridge;PE_TPSL_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_TPSL_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_haswell=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_haswell;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_interlagos=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_sandybridge=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_sandybridge;PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_x86_64=15.0 ;export PE_TPSL_DEFAULT_GENCOMPILERS_INTEL_x86_64;PE_TPSL_DEFAULT_GENCOMPILERS_PGI_interlagos=15.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_PGI_interlagos;PE_TPSL_DEFAULT_GENCOMPILERS_PGI_x86_64=15.3 ;export PE_TPSL_DEFAULT_GENCOMPILERS_PGI_x86_64;PE_TPSL_DEFAULT_GENCOMPS_CRAY_haswell=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_haswell;PE_TPSL_DEFAULT_GENCOMPS_CRAY_interlagos=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_interlagos;PE_TPSL_DEFAULT_GENCOMPS_CRAY_mic_knl=85 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_mic_knl;PE_TPSL_DEFAULT_GENCOMPS_CRAY_sandybridge=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_sandybridge;PE_TPSL_DEFAULT_GENCOMPS_CRAY_x86_64=83 ;export PE_TPSL_DEFAULT_GENCOMPS_CRAY_x86_64;PE_TPSL_DEFAULT_GENCOMPS_GNU_haswell=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_haswell;PE_TPSL_DEFAULT_GENCOMPS_GNU_interlagos=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_interlagos;PE_TPSL_DEFAULT_GENCOMPS_GNU_sandybridge=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_sandybridge;PE_TPSL_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_TPSL_DEFAULT_GENCOMPS_GNU_x86_64;PE_TPSL_DEFAULT_GENCOMPS_INTEL_haswell=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_haswell;PE_TPSL_DEFAULT_GENCOMPS_INTEL_interlagos=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_interlagos;PE_TPSL_DEFAULT_GENCOMPS_INTEL_sandybridge=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_sandybridge;PE_TPSL_DEFAULT_GENCOMPS_INTEL_x86_64=150 ;export PE_TPSL_DEFAULT_GENCOMPS_INTEL_x86_64;PE_TPSL_DEFAULT_GENCOMPS_PGI_interlagos=153 ;export PE_TPSL_DEFAULT_GENCOMPS_PGI_interlagos;PE_TPSL_DEFAULT_GENCOMPS_PGI_x86_64=153 ;export PE_TPSL_DEFAULT_GENCOMPS_PGI_x86_64;PE_TPSL_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_LIBSCI ;export PE_TPSL_DEFAULT_REQUIRED_PRODUCTS;PE_TPSL_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/tpsl/16.07.1/@PRGENV@/@PE_TPSL_DEFAULT_GENCOMPS@/@PE_TPSL_DEFAULT_TARGET@/lib/pkgconfig ;export PE_TPSL_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TPSL_DEFAULT_VOLATILE_PRGENV=CRAY\ CRAY64\ GNU\ GNU64\ INTEL\ INTEL64\ PGI\ PGI64 ;export PE_TPSL_DEFAULT_VOLATILE_PRGENV;PE_TRILINOS_DEFAULT_GENCOMPILERS_CRAY_x86_64=8.5 ;export PE_TRILINOS_DEFAULT_GENCOMPILERS_CRAY_x86_64;PE_TRILINOS_DEFAULT_GENCOMPILERS_GNU_x86_64=5.1\ 4.9 ;export PE_TRILINOS_DEFAULT_GENCOMPILERS_GNU_x86_64;PE_TRILINOS_DEFAULT_GENCOMPS_CRAY_x86_64=85 ;export PE_TRILINOS_DEFAULT_GENCOMPS_CRAY_x86_64;PE_TRILINOS_DEFAULT_GENCOMPS_GNU_x86_64=51\ 49 ;export PE_TRILINOS_DEFAULT_GENCOMPS_GNU_x86_64;PE_TRILINOS_DEFAULT_REQUIRED_PRODUCTS=PE_MPICH:PE_HDF5_PARALLEL:PE_NETCDF_HDF5PARALLEL:PE_LIBSCI:PE_TPSL ;export PE_TRILINOS_DEFAULmodule add papi/5.4.1.3 export NWCHEM_TOP=`pwd` pwd export NWCHEM_MODULES="nwpw driver stepper mp2_grad rimp2 ccsd property hessian vib" export FC=ftn export CC=cc export MSG_COMMS=MPI export TARGET=LINUX64 export NWCHEM_TARGET=LINUX64 export ARMCI_NETWORK=MPI-PR export HAS_BLAS=yes export BLAS_OPT='' export LIBMPI='' export USE_MPI=y export USE_MPIF=y export USE_MPIF4=y export USE_64TO32=y export MA_USE_ARMCI_MEM=Y export BLAS_SIZE=4 export LAPACK_SIZE=4 export SCALAPACK_SIZE=4 export SCALAPACK=-lsci_gnu export BLASOPT=-lsci_gnu export GA_DIR=ga-5-4 export USE_PAPI=y export PAPI_LIB=/opt/cray/papi/5.4.1.3/lib export PAPI_INCLUDE=/opt/cray/papi/5.4.1.3/include export USE_NOFSCHECK=TRUE export USE_NOIO=TRUE cd $NWCHEM_TOP/src make 64_to_32 # apply only once to the build or it will break config/makefile.h:140: /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/nwchem_config.h: No such file or directory T_REQUIRED_PRODUCTS;PE_TRILINOS_DEFAULT_VOLATILE_PKGCONFIG_PATH=/opt/cray/trilinos/12.6.3.3/@PRGENV@/@PE_TRILINOS_DEFAULT_GENCOMPS@/@PE_TRILINOS_DEFAULT_TARGET@/lib/pkgconfig ;export PE_TRILINOS_DEFAULT_VOLATILE_PKGCONFIG_PATH;PE_TRILINOS_DEFAULT_VOLATILE_PRGENV=CRAY\ GNU ;export PE_TRILINOS_DEFAULT_VOLATILE_PRGENV;PKGCONFIG_ENABLED=1 ;export PKGCONFIG_ENABLED;PKG_CONFIG_PATH=/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:/sw/xe/darshan/3.1.3/darshan-3.1.3/lib/pkgconfig:/opt/cray/craype/2.5.1/pkg-config:/opt/cray/iobuf/2.0.7/lib/pkgconfig:/opt/cray/atp/2.0.4/lib/pkgconfig ;export PKG_CONFIG_PATH;PKG_CONFIG_PATH_DEFAULT=/opt/cray/papi/5.5.0.1/lib64/pkgconfig ;export PKG_CONFIG_PATH_DEFAULT;SHMEM_ABORT_ON_ERROR=1 ;export SHMEM_ABORT_ON_ERROR;XTOS_VERSION=5.2.82 ;export XTOS_VERSION;XTPE_NETWORK_TARGET=gemini ;export XTPE_NETWORK_TARGET;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1280.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.1/modulefiles/craype-interlagos:/opt/cray/craype/2.5.1/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.1:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/modulefiles/torque/6.0.4:/opt/modulefiles/moab/9.0.2.TAS7-1490665589_71674cf-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/opt/modulefiles/xalt/0.7.6.local:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/EasyBuild/modules/all/gnuplot/5.0.5:/sw/xe/modulefiles/darshan/3.1.3:/opt/cray/modulefiles/cray-libsci/16.11.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.4:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82 ;export _LMFILES_;unset ASSEMBLER_X86_64;unset CC_X86_64;unset CRAYLIBS_X86_64;unset CRAYLMD_LICENSE_FILE;unset CRAY_BINUTILS_BIN;unset CRAY_BINUTILS_ROOT;unset CRAY_BINUTILS_VERSION;unset CRAY_CC_VERSION;unset CRAY_CXX_IPA_LIBS;unset CRAY_FTN_VERSION;unset CRAY_PE_TARGET;unset CRAY_PRGENVCRAY;unset FORTRAN_SYSTEM_MODULE_NAMES;unset FTN_X86_64;unset GCC_X86_64;unset INCLUDE_PATH_X86_64;unset LINKER_X86_64;unset NLSPATH;unset PE_LEVEL; ${MODULESHOME}/bin/modulecmd bash $* CRAY_LD_LIBRARY_PATH=/opt/cray/papi/5.4.1.3/lib64:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64:/opt/cray/libsci/16.11.1/GNU/4.9/x86_64/lib:/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib ;export CRAY_LD_LIBRARY_PATH;LIBPFM_DISABLED_PMUS=rapl,fam15h_nb ;export LIBPFM_DISABLED_PMUS;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1280.0:gcc/4.9.3:craype-interlagos:craype-network-gemini:craype/2.5.1:cray-mpich/7.5.0:torque/6.0.4:moab/9.0.2.TAS7-1490665589_71674cf-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:xalt/0.7.6.local:scripts:user-paths:gnuplot/5.0.5:darshan/3.1.3:cray-libsci/16.11.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.4:PrgEnv-gnu/5.2.82:papi/5.4.1.3 ;export LOADEDMODULES;MANPATH=/opt/cray/papi/5.4.1.3/man:/opt/cray/atp/2.0.4/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.11.1/man:/opt/cray/man/csmlversion:/opt/gcc/4.9.3/snos/share/man:/sw/EasyBuild/software/gnuplot/5.0.5/share/man:/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t7/share/man/:/opt/torque/6.0.4/share/man:/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/craype/2.5.1/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1280.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t7/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/papi/5.4.1.3/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/xe/darshan/3.1.3/darshan-3.1.3/bin:/sw/EasyBuild/software/gnuplot/5.0.5/bin:/sw/admin/scripts:/sw/user/scripts:/opt/xalt/0.7.6/sles11.3/libexec:/opt/xalt/0.7.6/sles11.3/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/9.0.2t7/sbin:/opt/torque/6.0.4/sbin:/opt/torque/6.0.4/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/craype/2.5.1/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1280.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t7/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_PAPI_ACCEL_LIBS= ;export PE_PAPI_ACCEL_LIBS;PE_PAPI_ACCEL_LIBS_nvidia35=,-lcupti,-lcudart,-lcuda ;export PE_PAPI_ACCEL_LIBS_nvidia35;PE_PAPI_PKGCONFIG_VARIABLES=PE_PAPI_ACCEL_LIBS_@accelerator@ ;export PE_PAPI_PKGCONFIG_VARIABLES;PE_PAPI_TARGET_VAR_nvidia35=,-lcupti,-lcudart,-lcuda ;export PE_PAPI_TARGET_VAR_nvidia35;PE_PKGCONFIG_LIBS=papi:pfm:AtpSigHandler:cray-rca:libsci_mpi:libsci:darshan-runtime:mpich ;export PE_PKGCONFIG_LIBS;PE_PKGCONFIG_PRODUCTS=PE_PAPI:PE_LIBSCI:PE_MPICH ;export PE_PKGCONFIG_PRODUCTS;PKG_CONFIG_PATH=/opt/cray/papi/5.4.1.3/lib64/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:/sw/xe/darshan/3.1.3/darshan-3.1.3/lib/pkgconfig:/opt/cray/craype/2.5.1/pkg-config:/opt/cray/iobuf/2.0.7/lib/pkgconfig:/opt/cray/atp/2.0.4/lib/pkgconfig ;export PKG_CONFIG_PATH;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1280.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.1/modulefiles/craype-interlagos:/opt/cray/craype/2.5.1/modulefiles/craype-network-gemini:/opt/cray/modulefiles/craype/2.5.1:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/modulefiles/torque/6.0.4:/opt/modulefiles/moab/9.0.2.TAS7-1490665589_71674cf-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/opt/modulefiles/xalt/0.7.6.local:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/sw/EasyBuild/modules/all/gnuplot/5.0.5:/sw/xe/modulefiles/darshan/3.1.3:/opt/cray/modulefiles/cray-libsci/16.11.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.4:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82:/opt/cray/modulefiles/papi/5.4.1.3 ;export _LMFILES_; make -C config -f make_nwchem_config NWCHEM_MODULES="nwpw driver stepper mp2_grad rimp2 ccsd property hessian vib" make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: nwpw driver stepper mp2_grad rimp2 ccsd property hessian vib" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib hessian mp2_grad property solvation nwpw fft" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lddscf -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lpfft -lpspw" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux mcscf prepar esp selci dplot qhop rimp2_grad python argos analyz diana nwmd cafe space drdy vscf uccsdt qmmm rism qmd etrans tce geninterface bq mm cons perfm dntmc smd nbo dangchang leps ccca lucia" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: nwpw driver stepper mp2_grad rimp2 ccsd property hessian vib" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints atomscf ccsd cphf ddscf driver fft gradients hessian moints mp2_grad nwdft nwpw optim property rimp2 solvation stepper symmetry vib >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lguess -lccsd -lcphf -lddscf -ldriver -lpfft -lgradients -lhessian -lmoints -lmp2 -lnwdft -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lproperty -lrimp2 -lsolvation -lstepper -lnwcutil -lvib >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux mcscf prepar esp selci dplot qhop rimp2_grad python argos analyz diana nwmd cafe space drdy vscf uccsdt qmmm rism qmd etrans tce geninterface bq mm cons perfm dntmc smd nbo dangchang leps ccca lucia >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo ana_input analyz argos argos_input bq cafe ccca_input cons crossing dangchang_input dc_energy debtest dia_input diana dntmc_input dplot dplot_input drdy_input esp esp_input et_calc et_calc_fmo et_input etrans gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main mcscf mcscf_input md_data md_driver md_input md_set mm_add_egrad mm_add_energy mm_input mmi_end mmi_init moints_screen mymc_input mymd_input nbo_input nwmd nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c perfm player pre_input prepar python_input qhop qmd_driver qmd_forces qmd_input qmd_main qmd_setup qmd_start qmd_wrttrj qmmm_bq_forces qmmm_end qmmm_forces qmmm_init qmmm_input qmmm_print_energy1 raktest rimp2g rism_input rjhtest selci selci_input smd_input space task_ccca task_ccca_energy task_dntmc task_drdy task_fragment_energy task_nbo task_python task_qmd task_qmmm_abc task_qmmm_dynamics task_qmmm_energy task_qmmm_esp task_qmmm_fep task_qmmm_gradient task_qmmm_optimize task_qmmm_pes task_qmmm_thermo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment task_vscf tce_cholesky tce_energy_fragment tce_gradient tce_imaginary tce_input tce_prop_start tce_property uccsdt uccsdtest urand vscf_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in ana_input analyz argos argos_input bq cafe ccca_input cons crossing dangchang_input dc_energy debtest dia_input diana dntmc_input dplot dplot_input drdy_input esp esp_input et_calc et_calc_fmo et_input etrans gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main mcscf mcscf_input md_data md_driver md_input md_set mm_add_egrad mm_add_energy mm_input mmi_end mmi_init moints_screen mymc_input mymd_input nbo_input nwmd nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c perfm player pre_input prepar python_input qhop qmd_driver qmd_forces qmd_input qmd_main qmd_setup qmd_start qmd_wrttrj qmmm_bq_forces qmmm_end qmmm_forces qmmm_init qmmm_input qmmm_print_energy1 raktest rimp2g rism_input rjhtest selci selci_input smd_input space task_ccca task_ccca_energy task_dntmc task_drdy task_fragment_energy task_nbo task_python task_qmd task_qmmm_abc task_qmmm_dynamics task_qmmm_energy task_qmmm_esp task_qmmm_fep task_qmmm_gradient task_qmmm_optimize task_qmmm_pes task_qmmm_thermo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment task_vscf tce_cholesky tce_energy_fragment tce_gradient tce_imaginary tce_input tce_prop_start tce_property uccsdt uccsdtest urand vscf_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints atomscf ccsd cphf ddscf driver fft gradients hessian moints mp2_grad nwdft nwpw optim property rimp2 solvation stepper symmetry vib; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src' test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64 || mkdir -p /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64 test -d /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64 || mkdir -p /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64 ./util/util_nwchem_version.bash make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src' rm -f 32_to_64 make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src' for dir in tools include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons blas lapack NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib hessian mp2_grad property solvation nwpw fft 64to32blas; do \ make -C $dir 64_to_32 || exit 1 ; \ done make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools' No blas conversion done here make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include' Nothing to be done make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/basis' ( cd /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config; make /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x ; ) make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config' /usr/bin/gcc -g -o /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x depend.c /bin/rm -f depend.o make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/basis' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/basis' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 bas_blas.F bas_blasP.F basis.F converting bas_blas.F to 32-bit integers for BLAS/LAPACK [1] 12572 converting bas_blasP.F to 32-bit integers for BLAS/LAPACK [2] 12573 converting basis.F to 32-bit integers for BLAS/LAPACK [3] 12574 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/basis' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 geom.F geom_input.F geom_print_ecce.F geom_hnd.F geom_3d.F geom_getsym.F converting geom.F to 32-bit integers for BLAS/LAPACK [1] 15057 converting geom_input.F to 32-bit integers for BLAS/LAPACK [2] 15058 converting geom_print_ecce.F to 32-bit integers for BLAS/LAPACK [3] 15059 converting geom_hnd.F to 32-bit integers for BLAS/LAPACK [4] 15060 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting geom_3d.F to 32-bit integers for BLAS/LAPACK [1] 15070 converting geom_getsym.F to 32-bit integers for BLAS/LAPACK [2] 15071 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/input' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/input' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/input' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/input' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/pstat' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/pstat' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/pstat' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/pstat' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' Making 64_to_32 in hdbm make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/task' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/task' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/task' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 task_num_grad.F task_bsse.F converting task_num_grad.F to 32-bit integers for BLAS/LAPACK [1] 17508 converting task_bsse.F to 32-bit integers for BLAS/LAPACK [2] 17509 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/task' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 sym_bs_irrep.F sym_g_sym.F sym_geom_prj.F sym_mo_adapt.F sym_op_clsfy.F sym_op_mtab.F sym_put_geom.F dosymops.F sym_abelian.F sym_bs_ir_id.F converting sym_bs_irrep.F to 32-bit integers for BLAS/LAPACK [1] 17925 converting sym_g_sym.F to 32-bit integers for BLAS/LAPACK [2] 17926 converting sym_geom_prj.F to 32-bit integers for BLAS/LAPACK [3] 17927 converting sym_mo_adapt.F to 32-bit integers for BLAS/LAPACK [4] 17928 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sym_op_clsfy.F to 32-bit integers for BLAS/LAPACK [1] 17929 converting sym_op_mtab.F to 32-bit integers for BLAS/LAPACK [2] 17930 converting sym_put_geom.F to 32-bit integers for BLAS/LAPACK [3] 17931 converting dosymops.F to 32-bit integers for BLAS/LAPACK [4] 17932 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sym_abelian.F to 32-bit integers for BLAS/LAPACK [1] 17937 converting sym_bs_ir_id.F to 32-bit integers for BLAS/LAPACK [2] 17938 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' Making 64_to_32 in md5 make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util/md5' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util/md5' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util/md5' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util/md5' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 util.fh ga_it_lsolve.F ga_maxelt.F ga_mix.F ga_iter_diag.F ga_orthog.F dabsmax.F ga_normf.F corr_mk_ref.F ga_it2.F ga_lkain_ext.F util_file_name.F dgefa.f util_patch_test.F stpr_sjacobi.F util_dgeev.F util_test_cholesky.F converting util.fh to 32-bit integers for BLAS/LAPACK [1] 18813 converting ga_it_lsolve.F to 32-bit integers for BLAS/LAPACK [2] 18814 converting ga_maxelt.F to 32-bit integers for BLAS/LAPACK [3] 18815 converting ga_mix.F to 32-bit integers for BLAS/LAPACK [4] 18816 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ga_iter_diag.F to 32-bit integers for BLAS/LAPACK [1] 18820 converting ga_orthog.F to 32-bit integers for BLAS/LAPACK [2] 18821 converting dabsmax.F to 32-bit integers for BLAS/LAPACK [3] 18822 converting ga_normf.F to 32-bit integers for BLAS/LAPACK [4] 18823 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting corr_mk_ref.F to 32-bit integers for BLAS/LAPACK [1] 18824 converting ga_it2.F to 32-bit integers for BLAS/LAPACK [2] 18825 converting ga_lkain_ext.F to 32-bit integers for BLAS/LAPACK [3] 18826 converting util_file_name.F to 32-bit integers for BLAS/LAPACK [4] 18827 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dgefa.f to 32-bit integers for BLAS/LAPACK [1] 18828 converting util_patch_test.F to 32-bit integers for BLAS/LAPACK [2] 18829 converting stpr_sjacobi.F to 32-bit integers for BLAS/LAPACK [3] 18830 converting util_dgeev.F to 32-bit integers for BLAS/LAPACK [4] 18831 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting util_test_cholesky.F to 32-bit integers for BLAS/LAPACK [1] 18835 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs' (cd ./src/c; make 64_to_32) make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/src/c' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 "*c *f *F" converting b_ortho.c to 32-bit integers for BLAS/LAPACK [1] 19518 converting chol_bcst.c to 32-bit integers for BLAS/LAPACK [2] 19519 converting choleski9.c to 32-bit integers for BLAS/LAPACK [3] 19520 converting ci_entry.c to 32-bit integers for BLAS/LAPACK [4] 19521 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting clustrf3.c to 32-bit integers for BLAS/LAPACK [1] 19525 converting clustrf4.c to 32-bit integers for BLAS/LAPACK [2] 19526 converting clustrf5.c to 32-bit integers for BLAS/LAPACK [3] 19527 converting clustrfix.c to 32-bit integers for BLAS/LAPACK [4] 19528 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting clustrxx30.c to 32-bit integers for BLAS/LAPACK [1] 19529 converting clustrxx31.c to 32-bit integers for BLAS/LAPACK [2] 19530 converting clustrxx33.c to 32-bit integers for BLAS/LAPACK [3] 19531 converting clustrxx3.c to 32-bit integers for BLAS/LAPACK [4] 19532 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting clustrxx4.c to 32-bit integers for BLAS/LAPACK [1] 19533 converting clustrxx5.c to 32-bit integers for BLAS/LAPACK [2] 19534 converting clustrxx99.c to 32-bit integers for BLAS/LAPACK [3] 19535 converting conjug22.c to 32-bit integers for BLAS/LAPACK [4] 19536 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting de_sym.c to 32-bit integers for BLAS/LAPACK [1] 19537 converting exit2.c to 32-bit integers for BLAS/LAPACK [2] 19538 converting exit.c to 32-bit integers for BLAS/LAPACK [3] 19539 converting forLL.c to 32-bit integers for BLAS/LAPACK [4] 19540 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting forLU.c to 32-bit integers for BLAS/LAPACK [1] 19544 converting gmax.c to 32-bit integers for BLAS/LAPACK [2] 19545 converting inverse.c to 32-bit integers for BLAS/LAPACK [3] 19546 converting inv_it3.c to 32-bit integers for BLAS/LAPACK [4] 19547 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting inv_it44.c to 32-bit integers for BLAS/LAPACK [1] 19548 converting inv_it4.c to 32-bit integers for BLAS/LAPACK [2] 19549 converting inv_it5.c to 32-bit integers for BLAS/LAPACK [3] 19550 converting inv_it6.c to 32-bit integers for BLAS/LAPACK [4] 19551 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lu_mxm2.c to 32-bit integers for BLAS/LAPACK [1] 19552 converting mapchk.c to 32-bit integers for BLAS/LAPACK [2] 19553 converting mapdif1.c to 32-bit integers for BLAS/LAPACK [3] 19554 converting mapdif.c to 32-bit integers for BLAS/LAPACK [4] 19555 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting matmax.c to 32-bit integers for BLAS/LAPACK [1] 19556 converting mdif2b.c to 32-bit integers for BLAS/LAPACK [2] 19557 converting mdiff1.c to 32-bit integers for BLAS/LAPACK [3] 19558 converting mdiff2.c to 32-bit integers for BLAS/LAPACK [4] 19559 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting memreq2.c to 32-bit integers for BLAS/LAPACK [1] 19563 converting memreq.c to 32-bit integers for BLAS/LAPACK [2] 19564 converting memreq_eval.c to 32-bit integers for BLAS/LAPACK [3] 19565 converting memreq_f.c to 32-bit integers for BLAS/LAPACK [4] 19566 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mgs4.c to 32-bit integers for BLAS/LAPACK [1] 19567 converting mgs5.c to 32-bit integers for BLAS/LAPACK [2] 19568 converting mgscs.c to 32-bit integers for BLAS/LAPACK [3] 19569 converting mxm25.c to 32-bit integers for BLAS/LAPACK [4] 19570 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mxm5x.c to 32-bit integers for BLAS/LAPACK [1] 19571 converting mxm88.c to 32-bit integers for BLAS/LAPACK [2] 19572 converting mxm_ll1.c to 32-bit integers for BLAS/LAPACK [3] 19573 converting onenorm.c to 32-bit integers for BLAS/LAPACK [4] 19574 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ortho2.c to 32-bit integers for BLAS/LAPACK [1] 19575 converting ortho.c to 32-bit integers for BLAS/LAPACK [2] 19576 converting pdcomplex.c to 32-bit integers for BLAS/LAPACK [3] 19577 converting pdiff.c to 32-bit integers for BLAS/LAPACK [4] 19578 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdspeval.c to 32-bit integers for BLAS/LAPACK [1] 19579 converting pdspev_c.c to 32-bit integers for BLAS/LAPACK [2] 19580 converting pdspevx.c to 32-bit integers for BLAS/LAPACK [3] 19581 converting pdspgv_c.c to 32-bit integers for BLAS/LAPACK [4] 19582 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdspgvx.c to 32-bit integers for BLAS/LAPACK [1] 19586 converting pdsptri2.c to 32-bit integers for BLAS/LAPACK [2] 19587 converting pdsptri.c to 32-bit integers for BLAS/LAPACK [3] 19588 converting peigs_dlasq1.c to 32-bit integers for BLAS/LAPACK [4] 19589 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting peigs_tldlfact.c to 32-bit integers for BLAS/LAPACK [1] 19590 converting pgexit.c to 32-bit integers for BLAS/LAPACK [2] 19591 converting pipe_fut.c to 32-bit integers for BLAS/LAPACK [3] 19592 converting pmmlsl2.c to 32-bit integers for BLAS/LAPACK [4] 19593 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pmmLSL.c to 32-bit integers for BLAS/LAPACK [1] 19597 converting pmmLUL.c to 32-bit integers for BLAS/LAPACK [2] 19598 converting pscale.c to 32-bit integers for BLAS/LAPACK [3] 19599 converting pstebz10.c to 32-bit integers for BLAS/LAPACK [4] 19600 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pstebz11.c to 32-bit integers for BLAS/LAPACK [1] 19601 converting pstebz9.c to 32-bit integers for BLAS/LAPACK [2] 19602 converting pstein3.c to 32-bit integers for BLAS/LAPACK [3] 19603 converting pstein44.c to 32-bit integers for BLAS/LAPACK [4] 19604 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pstein4.c to 32-bit integers for BLAS/LAPACK [1] 19605 converting pstein5.c to 32-bit integers for BLAS/LAPACK [2] 19606 converting pxerbla.c to 32-bit integers for BLAS/LAPACK [3] 19607 converting qsort.c to 32-bit integers for BLAS/LAPACK [4] 19608 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting reducemap.c to 32-bit integers for BLAS/LAPACK [1] 19612 converting resid.c to 32-bit integers for BLAS/LAPACK [2] 19613 converting residual.c to 32-bit integers for BLAS/LAPACK [3] 19614 converting r_ritz.c to 32-bit integers for BLAS/LAPACK [4] 19615 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sfnorm.c to 32-bit integers for BLAS/LAPACK [1] 19616 converting shellsort.c to 32-bit integers for BLAS/LAPACK [2] 19617 converting soluf.c to 32-bit integers for BLAS/LAPACK [3] 19618 converting sonenorm.c to 32-bit integers for BLAS/LAPACK [4] 19619 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting soort.c to 32-bit integers for BLAS/LAPACK [1] 19620 converting sort.c to 32-bit integers for BLAS/LAPACK [2] 19621 converting sorteig.c to 32-bit integers for BLAS/LAPACK [3] 19622 converting tred22.c to 32-bit integers for BLAS/LAPACK [4] 19623 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting treesort3.c to 32-bit integers for BLAS/LAPACK [1] 19624 converting tresid.c to 32-bit integers for BLAS/LAPACK [2] 19625 converting util.c to 32-bit integers for BLAS/LAPACK [3] 19626 converting xerbla.c to 32-bit integers for BLAS/LAPACK [4] 19627 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting peigs_cmod.f to 32-bit integers for BLAS/LAPACK [1] 19632 converting gdot.F to 32-bit integers for BLAS/LAPACK [2] 19633 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/src/c' (cd ./src/f77; make 64_to_32) make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/src/f77' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 types.f inverm.F \ dgetavec.F dgetavec2.f dgetavec3.f dgetavec4.F \ dptsvx2.f dspevx2.F converting types.f to 32-bit integers for BLAS/LAPACK [1] 19973 converting inverm.F to 32-bit integers for BLAS/LAPACK [2] 19974 converting dgetavec.F to 32-bit integers for BLAS/LAPACK [3] 19975 converting dgetavec2.f to 32-bit integers for BLAS/LAPACK [4] 19976 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dgetavec3.f to 32-bit integers for BLAS/LAPACK [1] 19978 converting dgetavec4.F to 32-bit integers for BLAS/LAPACK [2] 19979 converting dptsvx2.f to 32-bit integers for BLAS/LAPACK [3] 19980 converting dspevx2.F to 32-bit integers for BLAS/LAPACK [4] 19981 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/src/f77' (cd ./comm; make 64_to_32) make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/comm' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 "*c *f *F" converting maxx.F to 32-bit integers for BLAS/LAPACK [1] 20374 converting mxbrod.F to 32-bit integers for BLAS/LAPACK [2] 20375 converting mxcombv1.F to 32-bit integers for BLAS/LAPACK [3] 20376 converting mxsubs.F to 32-bit integers for BLAS/LAPACK [4] 20377 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting peigs_dgop.F to 32-bit integers for BLAS/LAPACK [1] 20424 converting sum.F to 32-bit integers for BLAS/LAPACK [2] 20425 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/comm' (cd ./ctof; make 64_to_32) make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/ctof' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 "*c *f *F" converting bortho_f.c to 32-bit integers for BLAS/LAPACK [1] 21169 converting choleski_f.c to 32-bit integers for BLAS/LAPACK [2] 21170 converting inverse_f.c to 32-bit integers for BLAS/LAPACK [3] 21172 converting mxm25_f.c to 32-bit integers for BLAS/LAPACK [4] 21174 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mxm5x_f.c to 32-bit integers for BLAS/LAPACK [1] 21208 converting mxm88_f.c to 32-bit integers for BLAS/LAPACK [2] 21209 converting onenorm_f.c to 32-bit integers for BLAS/LAPACK [3] 21210 converting ortho_f.c to 32-bit integers for BLAS/LAPACK [4] 21211 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdspev_f.c to 32-bit integers for BLAS/LAPACK [1] 21218 converting pdspevx_f.c to 32-bit integers for BLAS/LAPACK [2] 21219 converting pdspgv_f.c to 32-bit integers for BLAS/LAPACK [3] 21220 converting pdspgvx_f.c to 32-bit integers for BLAS/LAPACK [4] 21221 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pdsptri_f.c to 32-bit integers for BLAS/LAPACK [1] 21540 converting resid_f.c to 32-bit integers for BLAS/LAPACK [2] 21541 converting residual_f.c to 32-bit integers for BLAS/LAPACK [3] 21543 converting sonenorm_f.c to 32-bit integers for BLAS/LAPACK [4] 21545 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tresid_f.c to 32-bit integers for BLAS/LAPACK [1] 21704 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/ctof' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/bq' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/bq' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/bq' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 bq_input.F converting bq_input.F to 32-bit integers for BLAS/LAPACK [1] 23878 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/bq' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cons' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cons' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cons' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cons' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints' Making 64_to_32 in api make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 int_1e3ov.F int_hf1sp.F int_lgen1e.F intb_2e4c.F intbd_2e4c.F intd_1e3ov.F intd_1eh1.F intd_2e2c.F intd_2e4c.F intd_mpolel.F intp_txyz.F intpd_mpolel.F intbdd_2e4c.F int_2e4c.F intdd_2e2c.F intdd_2e3c.F intd_2e3c.F intdd_2e4c.F intd_1epot.F intd_1epot_cosmo.F intpd_1eov.F intpd_2e3c.F intpd_1eke.F intpd_2e2c.F intpd_2e3ct.F converting int_1e3ov.F to 32-bit integers for BLAS/LAPACK [1] 25909 converting int_hf1sp.F to 32-bit integers for BLAS/LAPACK [2] 25910 converting int_lgen1e.F to 32-bit integers for BLAS/LAPACK [3] 25911 converting intb_2e4c.F to 32-bit integers for BLAS/LAPACK [4] 25912 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intbd_2e4c.F to 32-bit integers for BLAS/LAPACK [1] 25913 converting intd_1e3ov.F to 32-bit integers for BLAS/LAPACK [2] 25914 converting intd_1eh1.F to 32-bit integers for BLAS/LAPACK [3] 25915 converting intd_2e2c.F to 32-bit integers for BLAS/LAPACK [4] 25916 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intd_2e4c.F to 32-bit integers for BLAS/LAPACK [1] 25917 converting intd_mpolel.F to 32-bit integers for BLAS/LAPACK [2] 25918 converting intp_txyz.F to 32-bit integers for BLAS/LAPACK [3] 25919 converting intpd_mpolel.F to 32-bit integers for BLAS/LAPACK [4] 25920 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intbdd_2e4c.F to 32-bit integers for BLAS/LAPACK [1] 25921 converting int_2e4c.F to 32-bit integers for BLAS/LAPACK [2] 25922 converting intdd_2e2c.F to 32-bit integers for BLAS/LAPACK [3] 25923 converting intdd_2e3c.F to 32-bit integers for BLAS/LAPACK [4] 25924 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intd_2e3c.F to 32-bit integers for BLAS/LAPACK [1] 25928 converting intdd_2e4c.F to 32-bit integers for BLAS/LAPACK [2] 25929 converting intd_1epot.F to 32-bit integers for BLAS/LAPACK [3] 25930 converting intd_1epot_cosmo.F to 32-bit integers for BLAS/LAPACK [4] 25931 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intpd_1eov.F to 32-bit integers for BLAS/LAPACK [1] 25932 converting intpd_2e3c.F to 32-bit integers for BLAS/LAPACK [2] 25933 converting intpd_1eke.F to 32-bit integers for BLAS/LAPACK [3] 25934 converting intpd_2e2c.F to 32-bit integers for BLAS/LAPACK [4] 25935 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting intpd_2e3ct.F to 32-bit integers for BLAS/LAPACK [1] 25936 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' Making 64_to_32 in int make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 hf2oi.f hfkei.f hfnai.f hfnai_er.F hf2.F igamma.F hferi.F hf1.F hf1mke3.f converting hf2oi.f to 32-bit integers for BLAS/LAPACK [1] 26341 converting hfkei.f to 32-bit integers for BLAS/LAPACK [2] 26342 converting hfnai.f to 32-bit integers for BLAS/LAPACK [3] 26343 converting hfnai_er.F to 32-bit integers for BLAS/LAPACK [4] 26344 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf2.F to 32-bit integers for BLAS/LAPACK [1] 26345 converting igamma.F to 32-bit integers for BLAS/LAPACK [2] 26346 converting hferi.F to 32-bit integers for BLAS/LAPACK [3] 26347 converting hf1.F to 32-bit integers for BLAS/LAPACK [4] 26348 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf1mke3.f to 32-bit integers for BLAS/LAPACK [1] 26349 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' Making 64_to_32 in auxil make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 int_spcart.F spherical.F xlm_norm.F xlmcoeff.F int_norm_2c.F int_spcart2.F converting int_spcart.F to 32-bit integers for BLAS/LAPACK [1] 26753 converting spherical.F to 32-bit integers for BLAS/LAPACK [2] 26754 converting xlm_norm.F to 32-bit integers for BLAS/LAPACK [3] 26755 converting xlmcoeff.F to 32-bit integers for BLAS/LAPACK [4] 26756 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting int_norm_2c.F to 32-bit integers for BLAS/LAPACK [1] 26773 converting int_spcart2.F to 32-bit integers for BLAS/LAPACK [2] 26774 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' Making 64_to_32 in ints_sp make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 sp1111.F converting sp1111.F to 32-bit integers for BLAS/LAPACK [1] 27196 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' Making 64_to_32 in deriv make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 hf1PRtoAB.f hf1d.F hf2PRtoAB.f hf2QStoCD.f hf2d.F hf2d_2a.F hf2d_2a2b.F hf2d_2b.F hf2d_3a.F hf2d_3a2b.F hfd3oi.F hf2d_all.F hfderi.F hf1d_cosmo.F converting hf1PRtoAB.f to 32-bit integers for BLAS/LAPACK [1] 27605 converting hf1d.F to 32-bit integers for BLAS/LAPACK [2] 27606 converting hf2PRtoAB.f to 32-bit integers for BLAS/LAPACK [3] 27607 converting hf2QStoCD.f to 32-bit integers for BLAS/LAPACK [4] 27608 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf2d.F to 32-bit integers for BLAS/LAPACK [1] 27612 converting hf2d_2a.F to 32-bit integers for BLAS/LAPACK [2] 27613 converting hf2d_2a2b.F to 32-bit integers for BLAS/LAPACK [3] 27614 converting hf2d_2b.F to 32-bit integers for BLAS/LAPACK [4] 27616 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hf2d_3a.F to 32-bit integers for BLAS/LAPACK [1] 27617 converting hf2d_3a2b.F to 32-bit integers for BLAS/LAPACK [2] 27618 converting hfd3oi.F to 32-bit integers for BLAS/LAPACK [3] 27619 converting hf2d_all.F to 32-bit integers for BLAS/LAPACK [4] 27620 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hfderi.F to 32-bit integers for BLAS/LAPACK [1] 27621 converting hf1d_cosmo.F to 32-bit integers for BLAS/LAPACK [2] 27622 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' Making 64_to_32 in texas make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 amshift.F big_service.F trobsa.F getmem.F converting amshift.F to 32-bit integers for BLAS/LAPACK [1] 28030 converting big_service.F to 32-bit integers for BLAS/LAPACK [2] 28031 converting trobsa.F to 32-bit integers for BLAS/LAPACK [3] 28032 converting getmem.F to 32-bit integers for BLAS/LAPACK [4] 28033 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' Making 64_to_32 in ecp make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 ecp_bess_pow.f ecp_cart_xpd.F ecp_cstrans.F ecp_grad_a.F ecp_grad_b.F ecp_gradient.F ecp_hessian.F ecp_int0.F ecp_int1.F ecp_int2.F ecp_integral.F ecp_local0.F ecp_local1.F ecp_local2.F ecp_locint1.F ecp_radint0.F ecp_radint1.F ecp_radint2.F ecp_s2ccoef.f ecp_so_ang.F ecp_t1_Q0asy.F ecp_t1_Q3asy.F ecp_t1_Q0pow.F ecp_t1_Q1pow.F ecp_t1_Q3pow.F ecp_t2_p0pow.F ecp_t2_p1pow.F ecp_t2_p3pow.F ecp_t2_p4pow.F ecp_skipint.F int_ecp.F converting ecp_bess_pow.f to 32-bit integers for BLAS/LAPACK [1] 28438 converting ecp_cart_xpd.F to 32-bit integers for BLAS/LAPACK [2] 28439 converting ecp_cstrans.F to 32-bit integers for BLAS/LAPACK [3] 28440 converting ecp_grad_a.F to 32-bit integers for BLAS/LAPACK [4] 28441 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_grad_b.F to 32-bit integers for BLAS/LAPACK [1] 28445 converting ecp_gradient.F to 32-bit integers for BLAS/LAPACK [2] 28446 converting ecp_hessian.F to 32-bit integers for BLAS/LAPACK [3] 28447 converting ecp_int0.F to 32-bit integers for BLAS/LAPACK [4] 28448 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_int1.F to 32-bit integers for BLAS/LAPACK [1] 28449 converting ecp_int2.F to 32-bit integers for BLAS/LAPACK [2] 28450 converting ecp_integral.F to 32-bit integers for BLAS/LAPACK [3] 28451 converting ecp_local0.F to 32-bit integers for BLAS/LAPACK [4] 28452 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_local1.F to 32-bit integers for BLAS/LAPACK [1] 28453 converting ecp_local2.F to 32-bit integers for BLAS/LAPACK [2] 28454 converting ecp_locint1.F to 32-bit integers for BLAS/LAPACK [3] 28455 converting ecp_radint0.F to 32-bit integers for BLAS/LAPACK [4] 28456 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_radint1.F to 32-bit integers for BLAS/LAPACK [1] 28460 converting ecp_radint2.F to 32-bit integers for BLAS/LAPACK [2] 28461 converting ecp_s2ccoef.f to 32-bit integers for BLAS/LAPACK [3] 28462 converting ecp_so_ang.F to 32-bit integers for BLAS/LAPACK [4] 28463 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_t1_Q0asy.F to 32-bit integers for BLAS/LAPACK [1] 28464 converting ecp_t1_Q3asy.F to 32-bit integers for BLAS/LAPACK [2] 28465 converting ecp_t1_Q0pow.F to 32-bit integers for BLAS/LAPACK [3] 28466 converting ecp_t1_Q1pow.F to 32-bit integers for BLAS/LAPACK [4] 28467 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_t1_Q3pow.F to 32-bit integers for BLAS/LAPACK [1] 28468 converting ecp_t2_p0pow.F to 32-bit integers for BLAS/LAPACK [2] 28469 converting ecp_t2_p1pow.F to 32-bit integers for BLAS/LAPACK [3] 28470 converting ecp_t2_p3pow.F to 32-bit integers for BLAS/LAPACK [4] 28471 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ecp_t2_p4pow.F to 32-bit integers for BLAS/LAPACK [1] 28472 converting ecp_skipint.F to 32-bit integers for BLAS/LAPACK [2] 28473 converting int_ecp.F to 32-bit integers for BLAS/LAPACK [3] 28474 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' Making 64_to_32 in hondo make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 hnd_stvint.F hnd_stvintd.F hnd_stvintdd.F hnd_elfder.F hnd_pso.F hnd_dso.F hnd_giaoh11.F hnd_giaoh01.F hnd_giaotv10.F hnd_giaobq10.F hnd_giaol10.F hnd_giaos10.F hnd_giaos100.F hnd_vstat.F hnd_veloc.F hnd_dipder.F hnd_angmom.F hnd_dipvel.F hnd_giahnd.F converting hnd_stvint.F to 32-bit integers for BLAS/LAPACK [1] 28882 converting hnd_stvintd.F to 32-bit integers for BLAS/LAPACK [2] 28883 converting hnd_stvintdd.F to 32-bit integers for BLAS/LAPACK [3] 28884 converting hnd_elfder.F to 32-bit integers for BLAS/LAPACK [4] 28885 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_pso.F to 32-bit integers for BLAS/LAPACK [1] 28886 converting hnd_dso.F to 32-bit integers for BLAS/LAPACK [2] 28887 converting hnd_giaoh11.F to 32-bit integers for BLAS/LAPACK [3] 28888 converting hnd_giaoh01.F to 32-bit integers for BLAS/LAPACK [4] 28889 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_giaotv10.F to 32-bit integers for BLAS/LAPACK [1] 28890 converting hnd_giaobq10.F to 32-bit integers for BLAS/LAPACK [2] 28891 converting hnd_giaol10.F to 32-bit integers for BLAS/LAPACK [3] 28892 converting hnd_giaos10.F to 32-bit integers for BLAS/LAPACK [4] 28893 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_giaos100.F to 32-bit integers for BLAS/LAPACK [1] 28894 converting hnd_vstat.F to 32-bit integers for BLAS/LAPACK [2] 28895 converting hnd_veloc.F to 32-bit integers for BLAS/LAPACK [3] 28896 converting hnd_dipder.F to 32-bit integers for BLAS/LAPACK [4] 28897 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_angmom.F to 32-bit integers for BLAS/LAPACK [1] 28898 converting hnd_dipvel.F to 32-bit integers for BLAS/LAPACK [2] 28899 converting hnd_giahnd.F to 32-bit integers for BLAS/LAPACK [3] 28900 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' Making 64_to_32 in rel make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 rel_onel.F rel_oneld.F rel_mpole.F rel_2e4c_sf.F rel_LLSS.F rel_SSLL.F rel_SSSS.F rel_2e4cd_sf.F rel_LLSSd.F rel_SSLLd.F rel_SSSSd.F rel_pot.F rel_pot2.F converting rel_onel.F to 32-bit integers for BLAS/LAPACK [1] 29303 converting rel_oneld.F to 32-bit integers for BLAS/LAPACK [2] 29304 converting rel_mpole.F to 32-bit integers for BLAS/LAPACK [3] 29305 converting rel_2e4c_sf.F to 32-bit integers for BLAS/LAPACK [4] 29306 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rel_LLSS.F to 32-bit integers for BLAS/LAPACK [1] 29310 converting rel_SSLL.F to 32-bit integers for BLAS/LAPACK [2] 29311 converting rel_SSSS.F to 32-bit integers for BLAS/LAPACK [3] 29312 converting rel_2e4cd_sf.F to 32-bit integers for BLAS/LAPACK [4] 29313 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rel_LLSSd.F to 32-bit integers for BLAS/LAPACK [1] 29314 converting rel_SSLLd.F to 32-bit integers for BLAS/LAPACK [2] 29315 converting rel_SSSSd.F to 32-bit integers for BLAS/LAPACK [3] 29316 converting rel_pot.F to 32-bit integers for BLAS/LAPACK [4] 29317 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rel_pot2.F to 32-bit integers for BLAS/LAPACK [1] 29318 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' Making 64_to_32 in dk make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 int_1edk_ga.F int_1edkso_ga.F converting int_1edk_ga.F to 32-bit integers for BLAS/LAPACK [1] 29783 converting int_1edkso_ga.F to 32-bit integers for BLAS/LAPACK [2] 29784 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 atomd.F atscf_atscf.F atscf_ecp.F converting atomd.F to 32-bit integers for BLAS/LAPACK [1] 30242 converting atscf_atscf.F to 32-bit integers for BLAS/LAPACK [2] 30243 converting atscf_ecp.F to 32-bit integers for BLAS/LAPACK [3] 30244 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' Making 64_to_32 in fast make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 potential.F pot_shell.F fmm.F newfmm.F testfmm.F cart_trans.F xlm_poles.F fastj.F solver.F converting potential.F to 32-bit integers for BLAS/LAPACK [1] 33403 converting pot_shell.F to 32-bit integers for BLAS/LAPACK [2] 33404 converting fmm.F to 32-bit integers for BLAS/LAPACK [3] 33405 converting newfmm.F to 32-bit integers for BLAS/LAPACK [4] 33406 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting testfmm.F to 32-bit integers for BLAS/LAPACK [1] 33410 converting cart_trans.F to 32-bit integers for BLAS/LAPACK [2] 33411 converting xlm_poles.F to 32-bit integers for BLAS/LAPACK [3] 33412 converting fastj.F to 32-bit integers for BLAS/LAPACK [4] 33413 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting solver.F to 32-bit integers for BLAS/LAPACK [1] 33417 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 ao_fock_2e.F ao_replicated.F fock_2e_file.F fock_2e_slab.F int2e_file.F movecs_lock.F movecs_phase.F riscf_fock.F riscf_trans.F rohf_diis.F rohf_k2cf.F scf_movecs.F scf_vec_guess.F uhf.F movecs_frag.F localize.F fock_2e.F fock_2e_cam.F int_1e_ga.F movecs_rotate.F vectors.F ga_get2eri.F converting ao_fock_2e.F to 32-bit integers for BLAS/LAPACK [1] 33420 converting ao_replicated.F to 32-bit integers for BLAS/LAPACK [2] 33421 converting fock_2e_file.F to 32-bit integers for BLAS/LAPACK [3] 33422 converting fock_2e_slab.F to 32-bit integers for BLAS/LAPACK [4] 33423 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting int2e_file.F to 32-bit integers for BLAS/LAPACK [1] 33427 converting movecs_lock.F to 32-bit integers for BLAS/LAPACK [2] 33428 converting movecs_phase.F to 32-bit integers for BLAS/LAPACK [3] 33429 converting riscf_fock.F to 32-bit integers for BLAS/LAPACK [4] 33430 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting riscf_trans.F to 32-bit integers for BLAS/LAPACK [1] 33431 converting rohf_diis.F to 32-bit integers for BLAS/LAPACK [2] 33432 converting rohf_k2cf.F to 32-bit integers for BLAS/LAPACK [3] 33433 converting scf_movecs.F to 32-bit integers for BLAS/LAPACK [4] 33434 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting scf_vec_guess.F to 32-bit integers for BLAS/LAPACK [1] 33438 converting uhf.F to 32-bit integers for BLAS/LAPACK [2] 33439 converting movecs_frag.F to 32-bit integers for BLAS/LAPACK [3] 33440 converting localize.F to 32-bit integers for BLAS/LAPACK [4] 33441 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting fock_2e.F to 32-bit integers for BLAS/LAPACK [1] 33443 converting fock_2e_cam.F to 32-bit integers for BLAS/LAPACK [2] 33444 converting int_1e_ga.F to 32-bit integers for BLAS/LAPACK [3] 33445 converting movecs_rotate.F to 32-bit integers for BLAS/LAPACK [4] 33446 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting vectors.F to 32-bit integers for BLAS/LAPACK [1] 33447 converting ga_get2eri.F to 32-bit integers for BLAS/LAPACK [2] 33448 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 grad2.F ga_reorder.F grad_dens.F converting grad2.F to 32-bit integers for BLAS/LAPACK [1] 33856 converting ga_reorder.F to 32-bit integers for BLAS/LAPACK [2] 33857 converting grad_dens.F to 32-bit integers for BLAS/LAPACK [3] 33858 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 moints_2x.F moints_6x.F moints_aux2.F moints_ccsd.F moints_full.F moints_semi.F sifs0.F sifs1.F converting moints_2x.F to 32-bit integers for BLAS/LAPACK [1] 34262 converting moints_6x.F to 32-bit integers for BLAS/LAPACK [2] 34263 converting moints_aux2.F to 32-bit integers for BLAS/LAPACK [3] 34264 converting moints_ccsd.F to 32-bit integers for BLAS/LAPACK [4] 34265 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting moints_full.F to 32-bit integers for BLAS/LAPACK [1] 34270 converting moints_semi.F to 32-bit integers for BLAS/LAPACK [2] 34271 converting sifs0.F to 32-bit integers for BLAS/LAPACK [3] 34272 converting sifs1.F to 32-bit integers for BLAS/LAPACK [4] 34273 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I./include -I./grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft' Making 64_to_32 in include make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/include' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/include' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/include' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 xc_vwn_a.fh converting xc_vwn_a.fh to 32-bit integers for BLAS/LAPACK [1] 35080 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/include' Making 64_to_32 in input_dft make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/input_dft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/input_dft' cat: /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/config.h: No such file or directory nm: '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/global/src/scalapack.o': No such file cat: /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/config.h: No such file or directory make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/input_dft' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/input_dft' Making 64_to_32 in scf_dft cat: /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/config.h: No such file or directory make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies cat: /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/config.h: No such file or directory nm: '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/global/src/scalapack.o': No such file cat: /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/config.h: No such file or directory cat: /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/config.h: No such file or directory make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 dft_mxovl.F diis_bld12.F diis_bsolve.F dft_densm.F dft_swapab.F dft_canorg.F cdft_util.F converting dft_mxovl.F to 32-bit integers for BLAS/LAPACK [1] 35911 converting diis_bld12.F to 32-bit integers for BLAS/LAPACK [2] 35912 converting diis_bsolve.F to 32-bit integers for BLAS/LAPACK [3] 35913 converting dft_densm.F to 32-bit integers for BLAS/LAPACK [4] 35914 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_swapab.F to 32-bit integers for BLAS/LAPACK [1] 35915 converting dft_canorg.F to 32-bit integers for BLAS/LAPACK [2] 35916 converting cdft_util.F to 32-bit integers for BLAS/LAPACK [3] 35917 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' Making 64_to_32 in scf_dft_cg make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft_cg' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft_cg' nm: '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/global/src/scalapack.o': No such file make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft_cg' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft_cg' Making 64_to_32 in so_dft make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/so_dft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies nm: '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/global/src/scalapack.o': No such file make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/so_dft' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/so_dft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 dft_mxovlso.F diis_bld12_so.F diis_bsolve_so.F sym_mo_adapt_so.F sym_op_clsfy_so.F dft_scf_so.F ga_orthog_so.F dft_scf_utils_so.F converting dft_mxovlso.F to 32-bit integers for BLAS/LAPACK [1] 36740 converting diis_bld12_so.F to 32-bit integers for BLAS/LAPACK [2] 36741 converting diis_bsolve_so.F to 32-bit integers for BLAS/LAPACK [3] 36742 converting sym_mo_adapt_so.F to 32-bit integers for BLAS/LAPACK [4] 36743 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting sym_op_clsfy_so.F to 32-bit integers for BLAS/LAPACK [1] 36747 converting dft_scf_so.F to 32-bit integers for BLAS/LAPACK [2] 36748 converting ga_orthog_so.F to 32-bit integers for BLAS/LAPACK [3] 36749 converting dft_scf_utils_so.F to 32-bit integers for BLAS/LAPACK [4] 36750 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/so_dft' Making 64_to_32 in coulomb make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 dft_fitcd.F dft_fitvc.F dft_genspm.F dft_3cincor.F dft_get2eri.F converting dft_fitcd.F to 32-bit integers for BLAS/LAPACK [1] 37162 converting dft_fitvc.F to 32-bit integers for BLAS/LAPACK [2] 37163 converting dft_genspm.F to 32-bit integers for BLAS/LAPACK [3] 37164 converting dft_3cincor.F to 32-bit integers for BLAS/LAPACK [4] 37165 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_get2eri.F to 32-bit integers for BLAS/LAPACK [1] 37166 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' Making 64_to_32 in xc make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 xc_fitv.F xc_dirac.F xc_bnl.F xc_att_xc.F xc_tabcd.F xc_rhogen.F xc_oep.F xc_sic_pert.F xc_sic.F localize_sic.F xc_eval_basis.F xc_eval_fnl.F xc_fd.F xc_optc.F xc_atomblock.F scat_mat.F xc_replicated.F xc_vdw_main.F xc_vdw_util.F xc_3rd_deriv.F converting xc_fitv.F to 32-bit integers for BLAS/LAPACK [1] 37572 converting xc_dirac.F to 32-bit integers for BLAS/LAPACK [2] 37573 converting xc_bnl.F to 32-bit integers for BLAS/LAPACK [3] 37574 converting xc_att_xc.F to 32-bit integers for BLAS/LAPACK [4] 37575 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_tabcd.F to 32-bit integers for BLAS/LAPACK [1] 37576 converting xc_rhogen.F to 32-bit integers for BLAS/LAPACK [2] 37577 converting xc_oep.F to 32-bit integers for BLAS/LAPACK [3] 37578 converting xc_sic_pert.F to 32-bit integers for BLAS/LAPACK [4] 37579 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_sic.F to 32-bit integers for BLAS/LAPACK [1] 37583 converting localize_sic.F to 32-bit integers for BLAS/LAPACK [2] 37584 converting xc_eval_basis.F to 32-bit integers for BLAS/LAPACK [3] 37585 converting xc_eval_fnl.F to 32-bit integers for BLAS/LAPACK [4] 37586 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_fd.F to 32-bit integers for BLAS/LAPACK [1] 37590 converting xc_optc.F to 32-bit integers for BLAS/LAPACK [2] 37591 converting xc_atomblock.F to 32-bit integers for BLAS/LAPACK [3] 37592 converting scat_mat.F to 32-bit integers for BLAS/LAPACK [4] 37593 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xc_replicated.F to 32-bit integers for BLAS/LAPACK [1] 37594 converting xc_vdw_main.F to 32-bit integers for BLAS/LAPACK [2] 37595 converting xc_vdw_util.F to 32-bit integers for BLAS/LAPACK [3] 37596 converting xc_3rd_deriv.F to 32-bit integers for BLAS/LAPACK [4] 37597 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' Making 64_to_32 in util make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 ga_chol_seq.F ga_inv_seq.F converting ga_chol_seq.F to 32-bit integers for BLAS/LAPACK [1] 38002 converting ga_inv_seq.F to 32-bit integers for BLAS/LAPACK [2] 38003 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' Making 64_to_32 in grid make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 grid_invariant.F grid_beckew.F grid_file.F grid_setspac.F grid_quadv0a.F grid_quadv0b.F grid_quadvw.F grid_tasks.F grid_pscreen.F grid_quadvw1.F grid_xcfit.F grid_sympts.F grid_ssw.F grid_finpts.F grid_ylm.F grid_eaf.F converting grid_invariant.F to 32-bit integers for BLAS/LAPACK [1] 38408 converting grid_beckew.F to 32-bit integers for BLAS/LAPACK [2] 38409 converting grid_file.F to 32-bit integers for BLAS/LAPACK [3] 38410 converting grid_setspac.F to 32-bit integers for BLAS/LAPACK [4] 38411 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting grid_quadv0a.F to 32-bit integers for BLAS/LAPACK [1] 38412 converting grid_quadv0b.F to 32-bit integers for BLAS/LAPACK [2] 38413 converting grid_quadvw.F to 32-bit integers for BLAS/LAPACK [3] 38414 converting grid_tasks.F to 32-bit integers for BLAS/LAPACK [4] 38415 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting grid_pscreen.F to 32-bit integers for BLAS/LAPACK [1] 38416 converting grid_quadvw1.F to 32-bit integers for BLAS/LAPACK [2] 38417 converting grid_xcfit.F to 32-bit integers for BLAS/LAPACK [3] 38418 converting grid_sympts.F to 32-bit integers for BLAS/LAPACK [4] 38419 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting grid_ssw.F to 32-bit integers for BLAS/LAPACK [1] 38423 converting grid_finpts.F to 32-bit integers for BLAS/LAPACK [2] 38424 converting grid_ylm.F to 32-bit integers for BLAS/LAPACK [3] 38425 converting grid_eaf.F to 32-bit integers for BLAS/LAPACK [4] 38426 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' Making 64_to_32 in dftgrad make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 dftg_cdfit.F dftg_quadv0b.F dftg_wderiv.F j_nucder_gen.F dft_gradients.F dftg_gridv0a.F dftg_gridv0b.F converting dftg_cdfit.F to 32-bit integers for BLAS/LAPACK [1] 38841 converting dftg_quadv0b.F to 32-bit integers for BLAS/LAPACK [2] 38842 converting dftg_wderiv.F to 32-bit integers for BLAS/LAPACK [3] 38843 converting j_nucder_gen.F to 32-bit integers for BLAS/LAPACK [4] 38844 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_gradients.F to 32-bit integers for BLAS/LAPACK [1] 38958 converting dftg_gridv0a.F to 32-bit integers for BLAS/LAPACK [2] 38959 converting dftg_gridv0b.F to 32-bit integers for BLAS/LAPACK [3] 38960 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' Making 64_to_32 in lr_tddft make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 tddft_diagon.F tddft_transfm.F converting tddft_diagon.F to 32-bit integers for BLAS/LAPACK [1] 40138 converting tddft_transfm.F to 32-bit integers for BLAS/LAPACK [2] 40140 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft' Making 64_to_32 in lr_tddft_grad make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft_grad' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft_grad' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft_grad' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 tddft_grad_gxc.F tddft_grad_compute_w.F tddft_grad_dxcdmat.F tddft_grad_dfxc.F tddft_grad_quadv0b.F tddft_grad_dvxc.F converting tddft_grad_gxc.F to 32-bit integers for BLAS/LAPACK [1] 42505 converting tddft_grad_compute_w.F to 32-bit integers for BLAS/LAPACK [2] 42506 converting tddft_grad_dxcdmat.F to 32-bit integers for BLAS/LAPACK [3] 42507 converting tddft_grad_dfxc.F to 32-bit integers for BLAS/LAPACK [4] 42508 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting tddft_grad_quadv0b.F to 32-bit integers for BLAS/LAPACK [1] 42670 converting tddft_grad_dvxc.F to 32-bit integers for BLAS/LAPACK [2] 42671 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft_grad' Making 64_to_32 in zora make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 dft_zora_NMR.F dft_zora_EPR-NMR_tools.F zora_tabcd.F dft_zora_EPR.F dft_zora_Hyperfine.F zora_tabcd_EFG.F converting dft_zora_NMR.F to 32-bit integers for BLAS/LAPACK [1] 43092 converting dft_zora_EPR-NMR_tools.F to 32-bit integers for BLAS/LAPACK [2] 43093 converting zora_tabcd.F to 32-bit integers for BLAS/LAPACK [3] 43094 converting dft_zora_EPR.F to 32-bit integers for BLAS/LAPACK [4] 43095 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dft_zora_Hyperfine.F to 32-bit integers for BLAS/LAPACK [1] 43099 converting zora_tabcd_EFG.F to 32-bit integers for BLAS/LAPACK [2] 43100 cat: /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/config.h: No such file or directory [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' Making 64_to_32 in spec cat: /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/config.h: No such file or directory make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' Making 64_to_32 in rt_tddft make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft' Making 64_to_32 in matutils make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/matutils' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/matutils' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/matutils' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/matutils' Making 64_to_32 in rtutils make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/rtutils' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/rtutils' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/rtutils' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/rtutils' Making 64_to_32 in input make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/input' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/input' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/input' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/input' Making 64_to_32 in init make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/init' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/init' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/init' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/init' Making 64_to_32 in canorg make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/canorg' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/canorg' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/canorg' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/canorg' Making 64_to_32 in propagators make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/propagators' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/propagators' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/propagators' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/propagators' Making 64_to_32 in closedshell make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/closedshell' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/closedshell' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/closedshell' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/closedshell' Making 64_to_32 in openshell make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/openshell' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/openshell' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/openshell' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/openshell' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 dgecop.F eval_3ci.F rimp2_v_e2.F xf3ci_s12a.F xf3ci_s12b.F converting dgecop.F to 32-bit integers for BLAS/LAPACK [1] 47567 converting eval_3ci.F to 32-bit integers for BLAS/LAPACK [2] 47568 converting rimp2_v_e2.F to 32-bit integers for BLAS/LAPACK [3] 47569 converting xf3ci_s12a.F to 32-bit integers for BLAS/LAPACK [4] 47570 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting xf3ci_s12b.F to 32-bit integers for BLAS/LAPACK [1] 47571 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 stpr_driver.F stpr_mkstep.F stpr_partit.F stpr_gh_at.F converting stpr_driver.F to 32-bit integers for BLAS/LAPACK [1] 47977 converting stpr_mkstep.F to 32-bit integers for BLAS/LAPACK [2] 47978 converting stpr_partit.F to 32-bit integers for BLAS/LAPACK [3] 47979 converting stpr_gh_at.F to 32-bit integers for BLAS/LAPACK [4] 47980 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 opt_drv.F oniom.F lbfgs.F lbfgs-b.F lbfgs-b_driver.F converting opt_drv.F to 32-bit integers for BLAS/LAPACK [1] 48381 converting oniom.F to 32-bit integers for BLAS/LAPACK [2] 48382 converting lbfgs.F to 32-bit integers for BLAS/LAPACK [3] 48383 converting lbfgs-b.F to 32-bit integers for BLAS/LAPACK [4] 48384 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lbfgs-b_driver.F to 32-bit integers for BLAS/LAPACK [1] 48397 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim' Making 64_to_32 in deloc make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' Making 64_to_32 in mepgs make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 mepgs_drv.F converting mepgs_drv.F to 32-bit integers for BLAS/LAPACK [1] 49611 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' Making 64_to_32 in tropt make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 tropt_drv.F converting tropt_drv.F to 32-bit integers for BLAS/LAPACK [1] 50015 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' Making 64_to_32 in neb make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 neb_drv.F neb_utils.F bead_list.F neb_input.F converting neb_drv.F to 32-bit integers for BLAS/LAPACK [1] 50423 converting neb_utils.F to 32-bit integers for BLAS/LAPACK [2] 50424 converting bead_list.F to 32-bit integers for BLAS/LAPACK [3] 50425 converting neb_input.F to 32-bit integers for BLAS/LAPACK [4] 50426 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' Making 64_to_32 in string make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 string.F converting string.F to 32-bit integers for BLAS/LAPACK [1] 51139 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cphf' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cphf' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cphf' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cphf' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 ccsd_itm.F ccsd_t2pm.F ccsd_fsig1.F ccsd_fsig2.F ccsd_iterdrv2.F ccsd_pampt2.F ccsd_pampt3.F ccsd_pdiis.F ccsd_sortmo.F ccsd_trpdrv.F ccsd_trpdrv_omp.F moints_trp.F ccsd_zvecs.F ccsd_z2pm.F ccsd_tzinta.F ccsd_tzintb.F ccsd_zsig1.F ccsd_zsig2.F ccden_interm2.F ccden_1pdm.F geaxpy.f ccsd_mktau_ga.F ccden_2pdmb.F aoccsd2.F moints_trp.F converting ccsd_itm.F to 32-bit integers for BLAS/LAPACK [1] 54004 converting ccsd_t2pm.F to 32-bit integers for BLAS/LAPACK [2] 54005 converting ccsd_fsig1.F to 32-bit integers for BLAS/LAPACK [3] 54006 converting ccsd_fsig2.F to 32-bit integers for BLAS/LAPACK [4] 54007 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_iterdrv2.F to 32-bit integers for BLAS/LAPACK [1] 54011 converting ccsd_pampt2.F to 32-bit integers for BLAS/LAPACK [2] 54012 converting ccsd_pampt3.F to 32-bit integers for BLAS/LAPACK [3] 54013 converting ccsd_pdiis.F to 32-bit integers for BLAS/LAPACK [4] 54014 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_sortmo.F to 32-bit integers for BLAS/LAPACK [1] 54015 converting ccsd_trpdrv.F to 32-bit integers for BLAS/LAPACK [2] 54016 converting ccsd_trpdrv_omp.F to 32-bit integers for BLAS/LAPACK [3] 54017 converting moints_trp.F to 32-bit integers for BLAS/LAPACK [4] 54018 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_zvecs.F to 32-bit integers for BLAS/LAPACK [1] 54019 converting ccsd_z2pm.F to 32-bit integers for BLAS/LAPACK [2] 54020 converting ccsd_tzinta.F to 32-bit integers for BLAS/LAPACK [3] 54021 converting ccsd_tzintb.F to 32-bit integers for BLAS/LAPACK [4] 54022 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ccsd_zsig1.F to 32-bit integers for BLAS/LAPACK [1] 54026 converting ccsd_zsig2.F to 32-bit integers for BLAS/LAPACK [2] 54027 converting ccden_interm2.F to 32-bit integers for BLAS/LAPACK [3] 54028 converting ccden_1pdm.F to 32-bit integers for BLAS/LAPACK [4] 54029 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting geaxpy.f to 32-bit integers for BLAS/LAPACK [1] 54030 converting ccsd_mktau_ga.F to 32-bit integers for BLAS/LAPACK [2] 54031 converting ccden_2pdmb.F to 32-bit integers for BLAS/LAPACK [3] 54032 converting aoccsd2.F to 32-bit integers for BLAS/LAPACK [4] 54033 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting moints_trp.F to 32-bit integers for BLAS/LAPACK [1] 54034 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 vib_eckart.F vib_hmass.F vib_intense.F vib_nmass.F vib_tors.F vib_vib.F vib_wrtfreq.F vib_istep.F vib_thermo.F vib_phonon.F converting vib_eckart.F to 32-bit integers for BLAS/LAPACK [1] 54438 converting vib_hmass.F to 32-bit integers for BLAS/LAPACK [2] 54439 converting vib_intense.F to 32-bit integers for BLAS/LAPACK [3] 54440 converting vib_nmass.F to 32-bit integers for BLAS/LAPACK [4] 54441 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting vib_tors.F to 32-bit integers for BLAS/LAPACK [1] 54443 converting vib_vib.F to 32-bit integers for BLAS/LAPACK [2] 54444 converting vib_wrtfreq.F to 32-bit integers for BLAS/LAPACK [3] 54445 converting vib_istep.F to 32-bit integers for BLAS/LAPACK [4] 54446 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting vib_thermo.F to 32-bit integers for BLAS/LAPACK [1] 54447 converting vib_phonon.F to 32-bit integers for BLAS/LAPACK [2] 54448 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian' Making 64_to_32 in analytic make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' Making 64_to_32 in dft make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../../nwdft/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 xc_cpks_coeff.F xc_d2expl.F xc_nucder_gen.F converting xc_cpks_coeff.F to 32-bit integers for BLAS/LAPACK [1] 55661 converting xc_d2expl.F to 32-bit integers for BLAS/LAPACK [2] 55662 converting xc_nucder_gen.F to 32-bit integers for BLAS/LAPACK [3] 55663 [3] + Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 onedd_calc.F hess_restart.F shell_fock_build.F shell_fock_build_cam.F twodd_cont.F converting onedd_calc.F to 32-bit integers for BLAS/LAPACK [1] 55666 converting hess_restart.F to 32-bit integers for BLAS/LAPACK [2] 55667 converting shell_fock_build.F to 32-bit integers for BLAS/LAPACK [3] 55668 converting shell_fock_build_cam.F to 32-bit integers for BLAS/LAPACK [4] 55669 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting twodd_cont.F to 32-bit integers for BLAS/LAPACK [1] 55670 [1] Done ( $perlexe $perlscript $file ) make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 hess_blas.F converting hess_blas.F to 32-bit integers for BLAS/LAPACK [1] 55676 [1] Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 mp2_energy.F mp2_lai_uhf.F mp2_make_tuhf.F mp2_pijab_uhf.F mp2_wai_uhf.F mp2_wijab_uhf.F mp2_back_transform.F mp2_read_tiajb.F converting mp2_energy.F to 32-bit integers for BLAS/LAPACK [1] 56079 converting mp2_lai_uhf.F to 32-bit integers for BLAS/LAPACK [2] 56080 converting mp2_make_tuhf.F to 32-bit integers for BLAS/LAPACK [3] 56081 converting mp2_pijab_uhf.F to 32-bit integers for BLAS/LAPACK [4] 56082 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting mp2_wai_uhf.F to 32-bit integers for BLAS/LAPACK [1] 56083 converting mp2_wijab_uhf.F to 32-bit integers for BLAS/LAPACK [2] 56084 converting mp2_back_transform.F to 32-bit integers for BLAS/LAPACK [3] 56085 converting mp2_read_tiajb.F to 32-bit integers for BLAS/LAPACK [4] 56086 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 hnd_elfcon.F wnbofile.F hnd_spinspin.F hnd_mtpole.F hnd_mulken.F hnd_elpmap.F hnd_elfmap.F hnd_mtpcon.F giaofock.F hnd_spinspin.F aoresponse_driver.F raman.F hnd_efgmap_z4.F hnd_gshift_zora.F wshldfile.F int_giao_1ega.F whypfile.F wefgfile.F aoresponse_driver_new.F hnd_elfcon_symm.F wgshiftfile.F hnd_hyperfine_zora.F converting hnd_elfcon.F to 32-bit integers for BLAS/LAPACK [1] 56492 converting wnbofile.F to 32-bit integers for BLAS/LAPACK [2] 56493 converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK [3] 56494 converting hnd_mtpole.F to 32-bit integers for BLAS/LAPACK [4] 56495 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_mulken.F to 32-bit integers for BLAS/LAPACK [1] 56496 converting hnd_elpmap.F to 32-bit integers for BLAS/LAPACK [2] 56497 converting hnd_elfmap.F to 32-bit integers for BLAS/LAPACK [3] 56498 converting hnd_mtpcon.F to 32-bit integers for BLAS/LAPACK [4] 56499 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting giaofock.F to 32-bit integers for BLAS/LAPACK [1] 56500 converting hnd_spinspin.F to 32-bit integers for BLAS/LAPACK [2] 56501 converting aoresponse_driver.F to 32-bit integers for BLAS/LAPACK [3] 56502 converting raman.F to 32-bit integers for BLAS/LAPACK [4] 56503 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting hnd_efgmap_z4.F to 32-bit integers for BLAS/LAPACK [1] 56510 converting hnd_gshift_zora.F to 32-bit integers for BLAS/LAPACK [2] 56511 converting wshldfile.F to 32-bit integers for BLAS/LAPACK [3] 56512 converting int_giao_1ega.F to 32-bit integers for BLAS/LAPACK [4] 56513 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting whypfile.F to 32-bit integers for BLAS/LAPACK [1] 56523 converting wefgfile.F to 32-bit integers for BLAS/LAPACK [2] 56524 converting aoresponse_driver_new.F to 32-bit integers for BLAS/LAPACK [3] 56525 converting hnd_elfcon_symm.F to 32-bit integers for BLAS/LAPACK [4] 56526 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wgshiftfile.F to 32-bit integers for BLAS/LAPACK [1] 56537 converting hnd_hyperfine_zora.F to 32-bit integers for BLAS/LAPACK [2] 56538 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw' Making 64_to_32 in nwpwlib make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib' Making 64_to_32 in Parallel make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 Parallel-mpi.F converting Parallel-mpi.F to 32-bit integers for BLAS/LAPACK [1] 58165 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' Making 64_to_32 in D1dB make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 D1dB-mpi.F Dne.F skew.F converting D1dB-mpi.F to 32-bit integers for BLAS/LAPACK [1] 58581 converting Dne.F to 32-bit integers for BLAS/LAPACK [2] 58582 converting skew.F to 32-bit integers for BLAS/LAPACK [3] 58583 [3] + Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' Making 64_to_32 in D3dB make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 D3dB-new.F D3dB_pfft.F D3dB-mpi.F converting D3dB-new.F to 32-bit integers for BLAS/LAPACK [1] 59083 converting D3dB_pfft.F to 32-bit integers for BLAS/LAPACK [2] 59084 converting D3dB-mpi.F to 32-bit integers for BLAS/LAPACK [3] 59085 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' Making 64_to_32 in Pneb make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 Pneb.F converting Pneb.F to 32-bit integers for BLAS/LAPACK [1] 61783 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' Making 64_to_32 in K1dB make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 K1dB-mpi.F converting K1dB-mpi.F to 32-bit integers for BLAS/LAPACK [1] 62201 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' Making 64_to_32 in C3dB make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 C3dB-new.F C3dB_pfft.F C3dB-tcgmsg.F C3dB-mpi.F converting C3dB-new.F to 32-bit integers for BLAS/LAPACK [1] 62603 converting C3dB_pfft.F to 32-bit integers for BLAS/LAPACK [2] 62604 converting C3dB-tcgmsg.F to 32-bit integers for BLAS/LAPACK [3] 62605 converting C3dB-mpi.F to 32-bit integers for BLAS/LAPACK [4] 62606 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' Making 64_to_32 in DMatrix make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 DMatrix-mpi.F DMatrix.F DMatrix-tcgmsg.F converting DMatrix-mpi.F to 32-bit integers for BLAS/LAPACK [1] 63011 converting DMatrix.F to 32-bit integers for BLAS/LAPACK [2] 63012 converting DMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK [3] 63013 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' Making 64_to_32 in CMatrix make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 CMatrix.F CMatrix-tcgmsg.F CMatrix-mpi.F converting CMatrix.F to 32-bit integers for BLAS/LAPACK [1] 63438 converting CMatrix-tcgmsg.F to 32-bit integers for BLAS/LAPACK [2] 63439 converting CMatrix-mpi.F to 32-bit integers for BLAS/LAPACK [3] 63440 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' Making 64_to_32 in control make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 control.F converting control.F to 32-bit integers for BLAS/LAPACK [1] 63851 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' Making 64_to_32 in lattice make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 lattice.f pack.F G_init.F cram.F c_G_init.F converting lattice.f to 32-bit integers for BLAS/LAPACK [1] 64269 converting pack.F to 32-bit integers for BLAS/LAPACK [2] 64270 converting G_init.F to 32-bit integers for BLAS/LAPACK [3] 64271 converting cram.F to 32-bit integers for BLAS/LAPACK [4] 64272 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting c_G_init.F to 32-bit integers for BLAS/LAPACK [1] 64276 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' Making 64_to_32 in io make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' Making 64_to_32 in ion make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' Making 64_to_32 in shake make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 molecular.F converting molecular.F to 32-bit integers for BLAS/LAPACK [1] 65505 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' Making 64_to_32 in grimme_sh make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' 64_to_32 : no conversion necessary make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 ion.F fcoord.f incell1.f incell2.f incell3.f unfold.f seperate_molpsp.F seperate_pointcharge.F ion_FixIon.F converting ion.F to 32-bit integers for BLAS/LAPACK [1] 701 converting fcoord.f to 32-bit integers for BLAS/LAPACK [2] 702 converting incell1.f to 32-bit integers for BLAS/LAPACK [3] 703 converting incell2.f to 32-bit integers for BLAS/LAPACK [4] 704 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting incell3.f to 32-bit integers for BLAS/LAPACK [1] 711 converting unfold.f to 32-bit integers for BLAS/LAPACK [2] 712 converting seperate_molpsp.F to 32-bit integers for BLAS/LAPACK [3] 713 converting seperate_pointcharge.F to 32-bit integers for BLAS/LAPACK [4] 714 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting ion_FixIon.F to 32-bit integers for BLAS/LAPACK [1] 715 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' Making 64_to_32 in pseudopotential make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' Making 64_to_32 in paw_atom make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' 64_to_32 : no conversion necessary make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' Making 64_to_32 in utilities make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' Making 64_to_32 in paw_utilities make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 nwpw_gaunt.F nwpw_compcharge.F nwpw_xc.F converting nwpw_gaunt.F to 32-bit integers for BLAS/LAPACK [1] 2342 converting nwpw_compcharge.F to 32-bit integers for BLAS/LAPACK [2] 2343 converting nwpw_xc.F to 32-bit integers for BLAS/LAPACK [3] 2344 [3] + Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 auto_corr.F matrix.f nwpw_scf_mixing.F kerker_G.F cell.F cellgeometry.F nwpw_list.F cpsi_data.F psi_data.F nwpw_diis.F nwpw_kain.F nwpw_matrix_invert.F generate_unfolded_xyz.F converting auto_corr.F to 32-bit integers for BLAS/LAPACK [1] 2353 converting matrix.f to 32-bit integers for BLAS/LAPACK [2] 2354 converting nwpw_scf_mixing.F to 32-bit integers for BLAS/LAPACK [3] 2355 converting kerker_G.F to 32-bit integers for BLAS/LAPACK [4] 2356 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cell.F to 32-bit integers for BLAS/LAPACK [1] 2357 converting cellgeometry.F to 32-bit integers for BLAS/LAPACK [2] 2358 converting nwpw_list.F to 32-bit integers for BLAS/LAPACK [3] 2359 converting cpsi_data.F to 32-bit integers for BLAS/LAPACK [4] 2360 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting psi_data.F to 32-bit integers for BLAS/LAPACK [1] 2362 converting nwpw_diis.F to 32-bit integers for BLAS/LAPACK [2] 2363 converting nwpw_kain.F to 32-bit integers for BLAS/LAPACK [3] 2364 converting nwpw_matrix_invert.F to 32-bit integers for BLAS/LAPACK [4] 2365 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting generate_unfolded_xyz.F to 32-bit integers for BLAS/LAPACK [1] 2366 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' Making 64_to_32 in unitcell make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' Making 64_to_32 in brillouin_zone make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' Making 64_to_32 in fractional make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 fractional.F frac_occ.F converting fractional.F to 32-bit integers for BLAS/LAPACK [1] 5272 converting frac_occ.F to 32-bit integers for BLAS/LAPACK [2] 5273 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' Making 64_to_32 in linesearch make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' Making 64_to_32 in timing make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 nwpw_timing.F converting nwpw_timing.F to 32-bit integers for BLAS/LAPACK [1] 6877 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' Making 64_to_32 in ewald make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 ewald.F ewald_strfac.F converting ewald.F to 32-bit integers for BLAS/LAPACK [1] 7278 converting ewald_strfac.F to 32-bit integers for BLAS/LAPACK [2] 7279 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' Making 64_to_32 in thermostats make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 nose-hoover.F converting nose-hoover.F to 32-bit integers for BLAS/LAPACK [1] 7860 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' Making 64_to_32 in MetaDynamics make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 metadynamics.F converting metadynamics.F to 32-bit integers for BLAS/LAPACK [1] 8267 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' Making 64_to_32 in TAMD make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 tamd.F converting tamd.F to 32-bit integers for BLAS/LAPACK [1] 8674 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' Making 64_to_32 in FMM make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 fmm.F converting fmm.F to 32-bit integers for BLAS/LAPACK [1] 9104 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' Making 64_to_32 in md_xs make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' Making 64_to_32 in FEFF6L make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' 64_to_32 : no conversion necessary make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib' Making 64_to_32 in libraryps make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' Making 64_to_32 in pspw make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw' Making 64_to_32 in lib make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib' Making 64_to_32 in psi make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 psi.F geodesic.F geodesic2.F Grassman.F dipole.F psi_history.F skew.F geodesic1.F berry_phase_pol.F psi_dmatrix.F converting psi.F to 32-bit integers for BLAS/LAPACK [1] 11629 converting geodesic.F to 32-bit integers for BLAS/LAPACK [2] 11630 converting geodesic2.F to 32-bit integers for BLAS/LAPACK [3] 11631 converting Grassman.F to 32-bit integers for BLAS/LAPACK [4] 11632 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting dipole.F to 32-bit integers for BLAS/LAPACK [1] 11645 converting psi_history.F to 32-bit integers for BLAS/LAPACK [2] 11646 converting skew.F to 32-bit integers for BLAS/LAPACK [3] 11647 converting geodesic1.F to 32-bit integers for BLAS/LAPACK [4] 11648 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting berry_phase_pol.F to 32-bit integers for BLAS/LAPACK [1] 11649 converting psi_dmatrix.F to 32-bit integers for BLAS/LAPACK [2] 11650 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' Making 64_to_32 in electron make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 electron.F psi_H.F psi_Hv4.F converting electron.F to 32-bit integers for BLAS/LAPACK [1] 12059 converting psi_H.F to 32-bit integers for BLAS/LAPACK [2] 12060 converting psi_Hv4.F to 32-bit integers for BLAS/LAPACK [3] 12061 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' Making 64_to_32 in ke make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 ke.F converting ke.F to 32-bit integers for BLAS/LAPACK [1] 12475 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' Making 64_to_32 in coulomb make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 coulomb.F coulomb2.F coulomb_screened.F converting coulomb.F to 32-bit integers for BLAS/LAPACK [1] 12877 converting coulomb2.F to 32-bit integers for BLAS/LAPACK [2] 12878 converting coulomb_screened.F to 32-bit integers for BLAS/LAPACK [3] 12879 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' Making 64_to_32 in exchange-correlation make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 v_bwexc_euv.F v_bwexc.F nwpw_meta_gga.F converting v_bwexc_euv.F to 32-bit integers for BLAS/LAPACK [1] 13284 converting v_bwexc.F to 32-bit integers for BLAS/LAPACK [2] 13285 converting nwpw_meta_gga.F to 32-bit integers for BLAS/LAPACK [3] 13286 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' Making 64_to_32 in sic make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 pspw_sic.F converting pspw_sic.F to 32-bit integers for BLAS/LAPACK [1] 13711 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' Making 64_to_32 in hfx make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 pspw_hfx.F pspw_hfx_localized.F converting pspw_hfx.F to 32-bit integers for BLAS/LAPACK [1] 14126 converting pspw_hfx_localized.F to 32-bit integers for BLAS/LAPACK [2] 14127 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' Making 64_to_32 in ion make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' 64_to_32 : no conversion necessary make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' Making 64_to_32 in psp make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 psp.F psp_olddebug.F paw.F semicore.F semicore_force.F psp_stress.F semicore_force_a.F semicore_force_b.F psp_U.F psp_ld.F converting psp.F to 32-bit integers for BLAS/LAPACK [1] 15079 converting psp_olddebug.F to 32-bit integers for BLAS/LAPACK [2] 15080 converting paw.F to 32-bit integers for BLAS/LAPACK [3] 15081 converting semicore.F to 32-bit integers for BLAS/LAPACK [4] 15082 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting semicore_force.F to 32-bit integers for BLAS/LAPACK [1] 17357 converting psp_stress.F to 32-bit integers for BLAS/LAPACK [2] 17358 converting semicore_force_a.F to 32-bit integers for BLAS/LAPACK [3] 17359 converting semicore_force_b.F to 32-bit integers for BLAS/LAPACK [4] 17360 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting psp_U.F to 32-bit integers for BLAS/LAPACK [1] 17361 converting psp_ld.F to 32-bit integers for BLAS/LAPACK [2] 17362 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' Making 64_to_32 in Grsm_list make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 pspw_lmbfgs.F pspw_lmbfgs2.F pspw_diis.F pspw_Grsm_list.F pspw_rmmdiis.F converting pspw_lmbfgs.F to 32-bit integers for BLAS/LAPACK [1] 17784 converting pspw_lmbfgs2.F to 32-bit integers for BLAS/LAPACK [2] 17785 converting pspw_diis.F to 32-bit integers for BLAS/LAPACK [3] 17786 converting pspw_Grsm_list.F to 32-bit integers for BLAS/LAPACK [4] 17787 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting pspw_rmmdiis.F to 32-bit integers for BLAS/LAPACK [1] 17791 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' Making 64_to_32 in aorbs make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 aorbs.F converting aorbs.F to 32-bit integers for BLAS/LAPACK [1] 18197 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' Making 64_to_32 in truncating_function make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 truncating_function.F converting truncating_function.F to 32-bit integers for BLAS/LAPACK [1] 18599 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib' Making 64_to_32 in kbpp make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 setup_kbpp.f integrate_kbppv3.f integrate_kbppv3d.f integrate_kbpp_orb.F integrate_stress.F integrate_d_stress.F HGH_local.F HGH_nonlocal.F Tesseral.F hghppv1.F pawppv1.F integrate_kbppv3d_new.f integrate_kbppv3_new.f integrate_d_stress_new.F integrate_pawppv1.F junk.f integrate_kbppv3_ray.f integrate_stress_new.F integrate_stress_ray.F integrate_paw_ray.F integrate_kbppv3e.f integrate_kbppv3e_new.f integrate_kbppv3e_ray.f kbppv3e_stress.F integrate_e_stress.F integrate_e_stress_new.F integrate_e_stress_ray.F kbppv3d.F converting setup_kbpp.f to 32-bit integers for BLAS/LAPACK [1] 19004 converting integrate_kbppv3.f to 32-bit integers for BLAS/LAPACK [2] 19005 converting integrate_kbppv3d.f to 32-bit integers for BLAS/LAPACK [3] 19006 converting integrate_kbpp_orb.F to 32-bit integers for BLAS/LAPACK [4] 19007 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_stress.F to 32-bit integers for BLAS/LAPACK [1] 19008 converting integrate_d_stress.F to 32-bit integers for BLAS/LAPACK [2] 19009 converting HGH_local.F to 32-bit integers for BLAS/LAPACK [3] 19010 converting HGH_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 19011 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting Tesseral.F to 32-bit integers for BLAS/LAPACK [1] 19012 converting hghppv1.F to 32-bit integers for BLAS/LAPACK [2] 19013 converting pawppv1.F to 32-bit integers for BLAS/LAPACK [3] 19014 converting integrate_kbppv3d_new.f to 32-bit integers for BLAS/LAPACK [4] 19015 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbppv3_new.f to 32-bit integers for BLAS/LAPACK [1] 19019 converting integrate_d_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 19020 converting integrate_pawppv1.F to 32-bit integers for BLAS/LAPACK [3] 19021 converting junk.f to 32-bit integers for BLAS/LAPACK [4] 19022 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbppv3_ray.f to 32-bit integers for BLAS/LAPACK [1] 19023 converting integrate_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 19024 converting integrate_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 19025 converting integrate_paw_ray.F to 32-bit integers for BLAS/LAPACK [4] 19026 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbppv3e.f to 32-bit integers for BLAS/LAPACK [1] 19027 converting integrate_kbppv3e_new.f to 32-bit integers for BLAS/LAPACK [2] 19028 converting integrate_kbppv3e_ray.f to 32-bit integers for BLAS/LAPACK [3] 19029 converting kbppv3e_stress.F to 32-bit integers for BLAS/LAPACK [4] 19030 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_e_stress.F to 32-bit integers for BLAS/LAPACK [1] 19031 converting integrate_e_stress_new.F to 32-bit integers for BLAS/LAPACK [2] 19032 converting integrate_e_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 19033 converting kbppv3d.F to 32-bit integers for BLAS/LAPACK [4] 19034 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' Making 64_to_32 in makepsi make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 wvfnc_init.F v_wvfnc_init.F wvfnc_expander.F v_wvfnc_new.F wvfnc_new.F silvestrelli_minimize.F expand_cell.F wvfnc_expand_cell.F band_reformat_c_wvfnc.F wvfnc_adjust.F silvestrelli_minimize_old.F converting wvfnc_init.F to 32-bit integers for BLAS/LAPACK [1] 19442 converting v_wvfnc_init.F to 32-bit integers for BLAS/LAPACK [2] 19443 converting wvfnc_expander.F to 32-bit integers for BLAS/LAPACK [3] 19444 converting v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [4] 19445 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting wvfnc_new.F to 32-bit integers for BLAS/LAPACK [1] 19446 converting silvestrelli_minimize.F to 32-bit integers for BLAS/LAPACK [2] 19447 converting expand_cell.F to 32-bit integers for BLAS/LAPACK [3] 19448 converting wvfnc_expand_cell.F to 32-bit integers for BLAS/LAPACK [4] 19449 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting band_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK [1] 19450 converting wvfnc_adjust.F to 32-bit integers for BLAS/LAPACK [2] 19451 converting silvestrelli_minimize_old.F to 32-bit integers for BLAS/LAPACK [3] 19452 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' Making 64_to_32 in cpsd make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 psi_lmbda.f psi_lmbda2.f psi_lmbda3.f psi_lmbda_sic.f psi_lmbda_paw.f inner_loop.F inner_loop_md.F cpsdv5.F cpmdv5.F psi_lmbda2.f mmsdv1.F inner_loop_qmmm_step.F cpmd_qmmm_start.F cpmd_qmmm_stop.F mm_loop.F pspw_et.F converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK [1] 19854 converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK [2] 19855 converting psi_lmbda3.f to 32-bit integers for BLAS/LAPACK [3] 19856 converting psi_lmbda_sic.f to 32-bit integers for BLAS/LAPACK [4] 19857 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting psi_lmbda_paw.f to 32-bit integers for BLAS/LAPACK [1] 19858 converting inner_loop.F to 32-bit integers for BLAS/LAPACK [2] 19859 converting inner_loop_md.F to 32-bit integers for BLAS/LAPACK [3] 19860 converting cpsdv5.F to 32-bit integers for BLAS/LAPACK [4] 19861 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cpmdv5.F to 32-bit integers for BLAS/LAPACK [1] 19865 converting psi_lmbda2.f to 32-bit integers for BLAS/LAPACK [2] 19866 converting mmsdv1.F to 32-bit integers for BLAS/LAPACK [3] 19867 converting inner_loop_qmmm_step.F to 32-bit integers for BLAS/LAPACK [4] 19868 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cpmd_qmmm_start.F to 32-bit integers for BLAS/LAPACK [1] 19869 converting cpmd_qmmm_stop.F to 32-bit integers for BLAS/LAPACK [2] 19870 converting mm_loop.F to 32-bit integers for BLAS/LAPACK [3] 19871 converting pspw_et.F to 32-bit integers for BLAS/LAPACK [4] 19872 [4] Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' Making 64_to_32 in cgsd make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 cgsdv5.F cgmdv5.F cgmontecarlov1.F cgoptimize1.F cgsd_energy.F bybminimize.F bybminimize2.F pspw_bq_gradient.F cgminimize.F mmmdv1.F bfgsminimize2.F bfgsminimize3.F md_energy.F cgminimize2.F cgsd_noit_energy.F bfgsminimize.F converting cgsdv5.F to 32-bit integers for BLAS/LAPACK [1] 20286 converting cgmdv5.F to 32-bit integers for BLAS/LAPACK [2] 20287 converting cgmontecarlov1.F to 32-bit integers for BLAS/LAPACK [3] 20288 converting cgoptimize1.F to 32-bit integers for BLAS/LAPACK [4] 20289 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cgsd_energy.F to 32-bit integers for BLAS/LAPACK [1] 20293 converting bybminimize.F to 32-bit integers for BLAS/LAPACK [2] 20294 converting bybminimize2.F to 32-bit integers for BLAS/LAPACK [3] 20295 converting pspw_bq_gradient.F to 32-bit integers for BLAS/LAPACK [4] 20296 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cgminimize.F to 32-bit integers for BLAS/LAPACK [1] 20298 converting mmmdv1.F to 32-bit integers for BLAS/LAPACK [2] 20299 converting bfgsminimize2.F to 32-bit integers for BLAS/LAPACK [3] 20300 converting bfgsminimize3.F to 32-bit integers for BLAS/LAPACK [4] 20301 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting md_energy.F to 32-bit integers for BLAS/LAPACK [1] 20305 converting cgminimize2.F to 32-bit integers for BLAS/LAPACK [2] 20306 converting cgsd_noit_energy.F to 32-bit integers for BLAS/LAPACK [3] 20307 converting bfgsminimize.F to 32-bit integers for BLAS/LAPACK [4] 20308 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' Making 64_to_32 in analysis make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' Making 64_to_32 in APC make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 pspw_APC.F pspw_Efield.F pspw_Efield_grad.F converting pspw_APC.F to 32-bit integers for BLAS/LAPACK [1] 21118 converting pspw_Efield.F to 32-bit integers for BLAS/LAPACK [2] 21119 converting pspw_Efield_grad.F to 32-bit integers for BLAS/LAPACK [3] 21120 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 pspw_Lubin_water_analysis.F pspw_atom_analysis.F analysis.F orb_pop_kawai.F orb_pop_aorb.F converting pspw_Lubin_water_analysis.F to 32-bit integers for BLAS/LAPACK [1] 21123 converting pspw_atom_analysis.F to 32-bit integers for BLAS/LAPACK [2] 21124 converting analysis.F to 32-bit integers for BLAS/LAPACK [3] 21125 converting orb_pop_kawai.F to 32-bit integers for BLAS/LAPACK [4] 21126 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting orb_pop_aorb.F to 32-bit integers for BLAS/LAPACK [1] 21127 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' Making 64_to_32 in cell_optimize make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 update_unitcell.F stress_fd.F force_fd.F converting update_unitcell.F to 32-bit integers for BLAS/LAPACK [1] 21533 converting stress_fd.F to 32-bit integers for BLAS/LAPACK [2] 21534 converting force_fd.F to 32-bit integers for BLAS/LAPACK [3] 21535 [3] - Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' Making 64_to_32 in qmmm make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' Making 64_to_32 in pspw_LJ make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 pspw_LJ.F converting pspw_LJ.F to 32-bit integers for BLAS/LAPACK [1] 22343 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' Making 64_to_32 in pspw_Q make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 pspw_Q.F converting pspw_Q.F to 32-bit integers for BLAS/LAPACK [1] 22752 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' Making 64_to_32 in pspw_Pair make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 pspw_Pair.F converting pspw_Pair.F to 32-bit integers for BLAS/LAPACK [1] 23156 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' Making 64_to_32 in mmq make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 mmq.F converting mmq.F to 32-bit integers for BLAS/LAPACK [1] 23558 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 pspw_qmmm.F converting pspw_qmmm.F to 32-bit integers for BLAS/LAPACK [1] 23564 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' Making 64_to_32 in charge make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 pspw_charge.F converting pspw_charge.F to 32-bit integers for BLAS/LAPACK [1] 23975 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' Making 64_to_32 in dplot make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 pspw_dplot.F ELF.F converting pspw_dplot.F to 32-bit integers for BLAS/LAPACK [1] 24396 converting ELF.F to 32-bit integers for BLAS/LAPACK [2] 24398 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' Making 64_to_32 in lcao make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 lcao_diis_dn.F lcao_init_dn.F lcao_new_dn.F lcao_new_mix_dn.F lcao_generate_vhxcmatrix.F lcao_diis.F lcaov1.F converting lcao_diis_dn.F to 32-bit integers for BLAS/LAPACK [1] 27082 converting lcao_init_dn.F to 32-bit integers for BLAS/LAPACK [2] 27083 converting lcao_new_dn.F to 32-bit integers for BLAS/LAPACK [3] 27084 converting lcao_new_mix_dn.F to 32-bit integers for BLAS/LAPACK [4] 27086 [4] - Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting lcao_generate_vhxcmatrix.F to 32-bit integers for BLAS/LAPACK [1] 27276 converting lcao_diis.F to 32-bit integers for BLAS/LAPACK [2] 27278 converting lcaov1.F to 32-bit integers for BLAS/LAPACK [3] 27279 [3] Done ( $perlexe $perlscript $file ) [2] - Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw' Making 64_to_32 in paw make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw' Making 64_to_32 in paw_geometry make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_geometry' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_geometry' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_geometry' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_geometry' Making 64_to_32 in paw_ma make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' Making 64_to_32 in paw_utils make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 integrate.F converting integrate.F to 32-bit integers for BLAS/LAPACK [1] 29370 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' Making 64_to_32 in paw_basis make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' Making 64_to_32 in paw_proj make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_proj.F converting paw_proj.F to 32-bit integers for BLAS/LAPACK [1] 30247 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' Making 64_to_32 in paw_matrix make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' Making 64_to_32 in paw_ovlp make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_overlap_matrix.F paw_ovlp.F converting paw_overlap_matrix.F to 32-bit integers for BLAS/LAPACK [1] 31070 converting paw_ovlp.F to 32-bit integers for BLAS/LAPACK [2] 31071 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' Making 64_to_32 in paw_comp_charge make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' Making 64_to_32 in paw_special_functions make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' Making 64_to_32 in paw_gaunt make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' Making 64_to_32 in paw_kinetic make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' Making 64_to_32 in paw_vloc make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_vloc.F converting paw_vloc.F to 32-bit integers for BLAS/LAPACK [1] 33111 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' Making 64_to_32 in paw_ion_potential make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' Making 64_to_32 in paw_core make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' Making 64_to_32 in paw_hartree make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_pot_hartree.F paw_matrix_hartree.F converting paw_pot_hartree.F to 32-bit integers for BLAS/LAPACK [1] 34336 converting paw_matrix_hartree.F to 32-bit integers for BLAS/LAPACK [2] 34337 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' Making 64_to_32 in paw_comp_pot make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' Making 64_to_32 in paw_mult make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_mult.F paw_mult_interaction.F paw_mult_energy.F converting paw_mult.F to 32-bit integers for BLAS/LAPACK [1] 35165 converting paw_mult_interaction.F to 32-bit integers for BLAS/LAPACK [2] 35166 converting paw_mult_energy.F to 32-bit integers for BLAS/LAPACK [3] 35168 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' Making 64_to_32 in paw_nonlocal make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_nonlocal.F converting paw_nonlocal.F to 32-bit integers for BLAS/LAPACK [1] 35587 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' Making 64_to_32 in paw_density make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_density.F converting paw_density.F to 32-bit integers for BLAS/LAPACK [1] 36041 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' Making 64_to_32 in paw_xc make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_xc.F converting paw_xc.F to 32-bit integers for BLAS/LAPACK [1] 36494 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' Making 64_to_32 in paw_force make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_force.F converting paw_force.F to 32-bit integers for BLAS/LAPACK [1] 37248 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' Making 64_to_32 in paw_Grsm_list make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_Grsm_list.F paw_lmbfgs.F converting paw_Grsm_list.F to 32-bit integers for BLAS/LAPACK [1] 37761 converting paw_lmbfgs.F to 32-bit integers for BLAS/LAPACK [2] 37762 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' Making 64_to_32 in paw_psi make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_psi.F paw_geodesic.F paw_electron.F paw_psi2.F converting paw_psi.F to 32-bit integers for BLAS/LAPACK [1] 38245 converting paw_geodesic.F to 32-bit integers for BLAS/LAPACK [2] 38246 converting paw_electron.F to 32-bit integers for BLAS/LAPACK [3] 38247 converting paw_psi2.F to 32-bit integers for BLAS/LAPACK [4] 38248 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' Making 64_to_32 in cpsd make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_sd.F paw_inner_loop.F paw_cpmd.F paw_inner_loop_md.F converting paw_sd.F to 32-bit integers for BLAS/LAPACK [1] 38660 converting paw_inner_loop.F to 32-bit integers for BLAS/LAPACK [2] 38661 converting paw_cpmd.F to 32-bit integers for BLAS/LAPACK [3] 38662 converting paw_inner_loop_md.F to 32-bit integers for BLAS/LAPACK [4] 38663 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' Making 64_to_32 in cgsd make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_bfgsminimize.F paw_minimizer.F paw_cgsd_energy.F paw_cgminimize.F converting paw_bfgsminimize.F to 32-bit integers for BLAS/LAPACK [1] 39364 converting paw_minimizer.F to 32-bit integers for BLAS/LAPACK [2] 39365 converting paw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [3] 39366 converting paw_cgminimize.F to 32-bit integers for BLAS/LAPACK [4] 39367 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' Making 64_to_32 in cell_optimize make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 paw_stress_fd.F paw_update_unitcell.F converting paw_stress_fd.F to 32-bit integers for BLAS/LAPACK [1] 41899 converting paw_update_unitcell.F to 32-bit integers for BLAS/LAPACK [2] 41900 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw' Making 64_to_32 in band make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' Making 64_to_32 in minimizer make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 band_minimizer.F c_cgsd_energy.F c_cgsd_energy_gradient.F c_bybminimize.F c_bybminimize2.F c_cgsd_energy_stress.F converting band_minimizer.F to 32-bit integers for BLAS/LAPACK [1] 42753 converting c_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [2] 42754 converting c_cgsd_energy_gradient.F to 32-bit integers for BLAS/LAPACK [3] 42755 converting c_bybminimize.F to 32-bit integers for BLAS/LAPACK [4] 42756 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting c_bybminimize2.F to 32-bit integers for BLAS/LAPACK [1] 42757 converting c_cgsd_energy_stress.F to 32-bit integers for BLAS/LAPACK [2] 42758 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' Making 64_to_32 in structure make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 band_structure.F band_interpolate_structure.F band_kp_structure.F band_fft_structure.F converting band_structure.F to 32-bit integers for BLAS/LAPACK [1] 43166 converting band_interpolate_structure.F to 32-bit integers for BLAS/LAPACK [2] 43167 converting band_kp_structure.F to 32-bit integers for BLAS/LAPACK [3] 43168 converting band_fft_structure.F to 32-bit integers for BLAS/LAPACK [4] 43169 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' Making 64_to_32 in cpsd make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 band_sd.F band_cpmd.F band_inner_loop.F band_inner_loop_md.F converting band_sd.F to 32-bit integers for BLAS/LAPACK [1] 43576 converting band_cpmd.F to 32-bit integers for BLAS/LAPACK [2] 43577 converting band_inner_loop.F to 32-bit integers for BLAS/LAPACK [3] 43578 converting band_inner_loop_md.F to 32-bit integers for BLAS/LAPACK [4] 43579 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' Making 64_to_32 in cell_optimize make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 band_stress_fd.F band_update_unitcell.F converting band_stress_fd.F to 32-bit integers for BLAS/LAPACK [1] 43988 converting band_update_unitcell.F to 32-bit integers for BLAS/LAPACK [2] 43989 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' Making 64_to_32 in kbpp make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 kbpp_band.F kbpp_band_orb.F setup_kbpp_band.f integrate_kbpp_band_local.F integrate_kbpp_band_nonlocal.F integrate_kbpp_band_orb.F kbpp_band_stress.F integrate_kbpp_band_stress_local.F integrate_kbpp_band_stress_nonlocal.F HGH_band_local.F HGH_band_nonlocal.F Tesseral_band.F Spherical_band.F hghpp_band.F integrate_kbpp_band_ray.F integrate_kbpp_band_stress_ray.F rkbpp_band.F integrate_kbpp_band_local_new.F integrate_kbpp_e_band_local_new.F integrate_kbpp_band_stress_local_new.F integrate_kbpp_band_nonlocal_new.F integrate_kbpp_band_stress_nonlocal_new.F kbpp_e_band.F integrate_kbpp_e_band_nonlocal.F integrate_kbpp_e_band_nonlocal_new.F integrate_kbpp_e_band_local.F integrate_kbpp_e_band_ray.F kbpp_e_band_stress.F integrate_kbpp_e_band_stress_local.F integrate_kbpp_e_band_stress_local_new.F integrate_kbpp_e_band_stress_ray.F integrate_kbpp_e_band_stress_nonlocal.F integrate_kbpp_e_band_stress_nonlocal_new.F converting kbpp_band.F to 32-bit integers for BLAS/LAPACK [1] 44395 converting kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK [2] 44396 converting setup_kbpp_band.f to 32-bit integers for BLAS/LAPACK [3] 44397 converting integrate_kbpp_band_local.F to 32-bit integers for BLAS/LAPACK [4] 44398 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_band_nonlocal.F to 32-bit integers for BLAS/LAPACK [1] 44402 converting integrate_kbpp_band_orb.F to 32-bit integers for BLAS/LAPACK [2] 44403 converting kbpp_band_stress.F to 32-bit integers for BLAS/LAPACK [3] 44404 converting integrate_kbpp_band_stress_local.F to 32-bit integers for BLAS/LAPACK [4] 44405 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK [1] 44406 converting HGH_band_local.F to 32-bit integers for BLAS/LAPACK [2] 44407 converting HGH_band_nonlocal.F to 32-bit integers for BLAS/LAPACK [3] 44408 converting Tesseral_band.F to 32-bit integers for BLAS/LAPACK [4] 44409 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting Spherical_band.F to 32-bit integers for BLAS/LAPACK [1] 44411 converting hghpp_band.F to 32-bit integers for BLAS/LAPACK [2] 44412 converting integrate_kbpp_band_ray.F to 32-bit integers for BLAS/LAPACK [3] 44413 converting integrate_kbpp_band_stress_ray.F to 32-bit integers for BLAS/LAPACK [4] 44414 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting rkbpp_band.F to 32-bit integers for BLAS/LAPACK [1] 44415 converting integrate_kbpp_band_local_new.F to 32-bit integers for BLAS/LAPACK [2] 44416 converting integrate_kbpp_e_band_local_new.F to 32-bit integers for BLAS/LAPACK [3] 44417 converting integrate_kbpp_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK [4] 44418 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [1] 44422 converting integrate_kbpp_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [2] 44423 converting kbpp_e_band.F to 32-bit integers for BLAS/LAPACK [3] 44424 converting integrate_kbpp_e_band_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 44425 [4] + Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_e_band_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [1] 44426 converting integrate_kbpp_e_band_local.F to 32-bit integers for BLAS/LAPACK [2] 44427 converting integrate_kbpp_e_band_ray.F to 32-bit integers for BLAS/LAPACK [3] 44428 converting kbpp_e_band_stress.F to 32-bit integers for BLAS/LAPACK [4] 44429 [4] - Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_e_band_stress_local.F to 32-bit integers for BLAS/LAPACK [1] 44430 converting integrate_kbpp_e_band_stress_local_new.F to 32-bit integers for BLAS/LAPACK [2] 44431 converting integrate_kbpp_e_band_stress_ray.F to 32-bit integers for BLAS/LAPACK [3] 44432 converting integrate_kbpp_e_band_stress_nonlocal.F to 32-bit integers for BLAS/LAPACK [4] 44433 [4] Done ( $perlexe $perlscript $file ) [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting integrate_kbpp_e_band_stress_nonlocal_new.F to 32-bit integers for BLAS/LAPACK [1] 44434 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' Making 64_to_32 in makepsi make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 pspw_reformat_c_wvfnc.F c_wvfnc_new.F c_wvfnc_expander.F c_v_wvfnc_new.F converting pspw_reformat_c_wvfnc.F to 32-bit integers for BLAS/LAPACK [1] 44836 converting c_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [2] 44837 converting c_wvfnc_expander.F to 32-bit integers for BLAS/LAPACK [3] 44838 converting c_v_wvfnc_new.F to 32-bit integers for BLAS/LAPACK [4] 44839 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' Making 64_to_32 in lib make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib' Making 64_to_32 in cpsp make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 cpsp.F cpsp_stress.F c_semicore.F cpsp_projector.F c_semicore_force_a.F c_semicore_force_b.F cpsp_relativistic.F converting cpsp.F to 32-bit integers for BLAS/LAPACK [1] 45644 converting cpsp_stress.F to 32-bit integers for BLAS/LAPACK [2] 45645 converting c_semicore.F to 32-bit integers for BLAS/LAPACK [3] 45646 converting cpsp_projector.F to 32-bit integers for BLAS/LAPACK [4] 45647 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting c_semicore_force_a.F to 32-bit integers for BLAS/LAPACK [1] 45649 converting c_semicore_force_b.F to 32-bit integers for BLAS/LAPACK [2] 45650 converting cpsp_relativistic.F to 32-bit integers for BLAS/LAPACK [3] 45651 [3] Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' Making 64_to_32 in ke make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 cke.F converting cke.F to 32-bit integers for BLAS/LAPACK [1] 46058 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' Making 64_to_32 in coulomb make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 c_coulomb.F c_coulomb_screened.F converting c_coulomb.F to 32-bit integers for BLAS/LAPACK [1] 46463 converting c_coulomb_screened.F to 32-bit integers for BLAS/LAPACK [2] 46464 [2] Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' Making 64_to_32 in electron make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 c_electron.F psi_lmbda.f cpsi_H.F converting c_electron.F to 32-bit integers for BLAS/LAPACK [1] 46875 converting psi_lmbda.f to 32-bit integers for BLAS/LAPACK [2] 46876 converting cpsi_H.F to 32-bit integers for BLAS/LAPACK [3] 46877 [3] - Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' Making 64_to_32 in psi make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 cpsi.F c_geodesic.F cpsi_lmbda.F BGrsm.F cpsi_KS.F cpsi_read.F cpsi_write.F v_cpsi_read.F v_cpsi_write.F converting cpsi.F to 32-bit integers for BLAS/LAPACK [1] 47286 converting c_geodesic.F to 32-bit integers for BLAS/LAPACK [2] 47287 converting cpsi_lmbda.F to 32-bit integers for BLAS/LAPACK [3] 47288 converting BGrsm.F to 32-bit integers for BLAS/LAPACK [4] 47289 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting cpsi_KS.F to 32-bit integers for BLAS/LAPACK [1] 47293 converting cpsi_read.F to 32-bit integers for BLAS/LAPACK [2] 47294 converting cpsi_write.F to 32-bit integers for BLAS/LAPACK [3] 47295 converting v_cpsi_read.F to 32-bit integers for BLAS/LAPACK [4] 47296 [4] + Done ( $perlexe $perlscript $file ) [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) converting v_cpsi_write.F to 32-bit integers for BLAS/LAPACK [1] 47300 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' Making 64_to_32 in hfx make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 band_hfx.F converting band_hfx.F to 32-bit integers for BLAS/LAPACK [1] 47715 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' Making 64_to_32 in Grsm_list make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 band_Grsm_list.F band_lmbfgs.F converting band_Grsm_list.F to 32-bit integers for BLAS/LAPACK [1] 48123 converting band_lmbfgs.F to 32-bit integers for BLAS/LAPACK [2] 48124 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' Making 64_to_32 in borbs make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 borbs.F borb_projector.F converting borbs.F to 32-bit integers for BLAS/LAPACK [1] 48525 converting borb_projector.F to 32-bit integers for BLAS/LAPACK [2] 48526 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib' Making 64_to_32 in dplot make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 band_dplot.F converting band_dplot.F to 32-bit integers for BLAS/LAPACK [1] 48966 [1] Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' Making 64_to_32 in analysis make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 band_analysis.F orb_pop_borb.F converting band_analysis.F to 32-bit integers for BLAS/LAPACK [1] 51694 converting orb_pop_borb.F to 32-bit integers for BLAS/LAPACK [2] 51695 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' Making 64_to_32 in ofpw make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' Making 64_to_32 in minimizer make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 ofpw_minimizer.F ofpw_cgsd_energy.F ofpw_cgminimize.F converting ofpw_minimizer.F to 32-bit integers for BLAS/LAPACK [1] 52610 converting ofpw_cgsd_energy.F to 32-bit integers for BLAS/LAPACK [2] 52611 converting ofpw_cgminimize.F to 32-bit integers for BLAS/LAPACK [3] 52612 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' Making 64_to_32 in cpsd make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 ofpwsd.F inner_loop_ofpw.F chi_lmbda.f converting ofpwsd.F to 32-bit integers for BLAS/LAPACK [1] 53084 converting inner_loop_ofpw.F to 32-bit integers for BLAS/LAPACK [2] 53085 converting chi_lmbda.f to 32-bit integers for BLAS/LAPACK [3] 53086 [3] + Done ( $perlexe $perlscript $file ) [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' Making 64_to_32 in lib make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib' Making 64_to_32 in chi make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' 64_to_32 : no conversion necessary make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' Making 64_to_32 in electron make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 chi_H.F chi_Hv4.F converting chi_H.F to 32-bit integers for BLAS/LAPACK [1] 54408 converting chi_Hv4.F to 32-bit integers for BLAS/LAPACK [2] 54409 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' Making 64_to_32 in ke make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 v_thomasfermi.F converting v_thomasfermi.F to 32-bit integers for BLAS/LAPACK [1] 54824 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke' Making 64_to_32 in WGC make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 wgc.F converting wgc.F to 32-bit integers for BLAS/LAPACK [1] 55230 [1] Done ( $perlexe $perlscript $file ) make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft' Making 64_to_32 in pfft1.0 make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0' Making 64_to_32 in fftpack make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' 64_to_32 : no conversion necessary make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' Making 64_to_32 in pfft make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config/64_to_32 drain.F fillup.F converting drain.F to 32-bit integers for BLAS/LAPACK [1] 56847 converting fillup.F to 32-bit integers for BLAS/LAPACK [2] 56848 [2] + Done ( $perlexe $perlscript $file ) [1] + Done ( $perlexe $perlscript $file ) make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0' Making 64_to_32 in pfftwrap make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' 64_to_32 : no conversion necessary make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft' make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' #make realclean make nwchem_config make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' 64_to_32 : no conversion necessary make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' touch 64_to_32 make -C config -f make_nwchem_config NWCHEM_MODULES="nwpw driver stepper mp2_grad rimp2 ccsd property hessian vib" make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config' echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: nwpw driver stepper mp2_grad rimp2 ccsd property hessian vib" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib hessian mp2_grad property solvation nwpw fft" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lddscf -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lpfft -lpspw" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux mcscf prepar esp selci dplot qhop rimp2_grad python argos analyz diana nwmd cafe space drdy vscf uccsdt qmmm rism qmd etrans tce geninterface bq mm cons perfm dntmc smd nbo dangchang leps ccca lucia" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: nwpw driver stepper mp2_grad rimp2 ccsd property hessian vib" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints atomscf ccsd cphf ddscf driver fft gradients hessian moints mp2_grad nwdft nwpw optim property rimp2 solvation stepper symmetry vib >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lguess -lccsd -lcphf -lddscf -ldriver -lpfft -lgradients -lhessian -lmoints -lmp2 -lnwdft -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lproperty -lrimp2 -lsolvation -lstepper -lnwcutil -lvib >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux mcscf prepar esp selci dplot qhop rimp2_grad python argos analyz diana nwmd cafe space drdy vscf uccsdt qmmm rism qmd etrans tce geninterface bq mm cons perfm dntmc smd nbo dangchang leps ccca lucia >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo ana_input analyz argos argos_input bq cafe ccca_input cons crossing dangchang_input dc_energy debtest dia_input diana dntmc_input dplot dplot_input drdy_input esp esp_input et_calc et_calc_fmo et_input etrans gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main mcscf mcscf_input md_data md_driver md_input md_set mm_add_egrad mm_add_energy mm_input mmi_end mmi_init moints_screen mymc_input mymd_input nbo_input nwmd nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c perfm player pre_input prepar python_input qhop qmd_driver qmd_forces qmd_input qmd_main qmd_setup qmd_start qmd_wrttrj qmmm_bq_forces qmmm_end qmmm_forces qmmm_init qmmm_input qmmm_print_energy1 raktest rimp2g rism_input rjhtest selci selci_input smd_input space task_ccca task_ccca_energy task_dntmc task_drdy task_fragment_energy task_nbo task_python task_qmd task_qmmm_abc task_qmmm_dynamics task_qmmm_energy task_qmmm_esp task_qmmm_fep task_qmmm_gradient task_qmmm_optimize task_qmmm_pes task_qmmm_thermo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment task_vscf tce_cholesky tce_energy_fragment tce_gradient tce_imaginary tce_input tce_prop_start tce_property uccsdt uccsdtest urand vscf_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in ana_input analyz argos argos_input bq cafe ccca_input cons crossing dangchang_input dc_energy debtest dia_input diana dntmc_input dplot dplot_input drdy_input esp esp_input et_calc et_calc_fmo et_input etrans gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main mcscf mcscf_input md_data md_driver md_input md_set mm_add_egrad mm_add_energy mm_input mmi_end mmi_init moints_screen mymc_input mymd_input nbo_input nwmd nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c perfm player pre_input prepar python_input qhop qmd_driver qmd_forces qmd_input qmd_main qmd_setup qmd_start qmd_wrttrj qmmm_bq_forces qmmm_end qmmm_forces qmmm_init qmmm_input qmmm_print_energy1 raktest rimp2g rism_input rjhtest selci selci_input smd_input space task_ccca task_ccca_energy task_dntmc task_drdy task_fragment_energy task_nbo task_python task_qmd task_qmmm_abc task_qmmm_dynamics task_qmmm_energy task_qmmm_esp task_qmmm_fep task_qmmm_gradient task_qmmm_optimize task_qmmm_pes task_qmmm_thermo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment task_vscf tce_cholesky tce_energy_fragment tce_gradient tce_imaginary tce_input tce_prop_start tce_property uccsdt uccsdtest urand vscf_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F make FC=ftn GA_DIR=ga-5-4 echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints atomscf ccsd cphf ddscf driver fft gradients hessian moints mp2_grad nwdft nwpw optim property rimp2 solvation stepper symmetry vib; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/config' test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64 || mkdir -p /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64 test -d /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64 || mkdir -p /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64 ./util/util_nwchem_version.bash Making libraries in tools make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools' rm -f ./*.FC.stamp echo "" > ftn.FC.stamp rm -f ./*.CC.stamp echo "" > cc.CC.stamp rm -rf build install rm -f ./*.DIR.stamp echo "" > ga-5-4.DIR.stamp *** Configuring Parallel Tools **** ../ga-5-4/configure --prefix=/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install --with-tcgmsg --with-mpi --enable-peigs --enable-underscoring --disable-mpi-tests --with-scalapack=-lsci_gnu --without-lapack --with-blas4=-lsci_gnu --with-mpi-pr CC=cc MPICC=cc CXX=CC MPICXX=CC F77=ftn MPIF77=ftn ARMCI_DEFAULT_SHMMAX_UBOUND=131072 checking build system type... x86_64-unknown-linux-gnu checking host system type... x86_64-unknown-linux-gnu checking for TARGET base (64bit-ness checked later)... LINUX checking whether we think this system is what we call SYSV... yes checking whether we are cross compiling... no checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane... yes checking for a thread-safe mkdir -p... /bin/mkdir -p checking for gawk... gawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking whether to enable maintainer-specific portions of Makefiles... no configure: Detected VPATH build configure: configure: C compiler configure: checking for style of include used by make... GNU checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether we are using the GNU C compiler... yes checking whether cc accepts -g... yes checking for cc option to accept ISO C89... none needed checking dependency style of cc... gcc3 checking how to run the C preprocessor... cc -E checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for ANSI C header files... yes checking for sys/types.h... yes checking for sys/stat.h... yes checking for stdlib.h... yes checking for string.h... yes checking for memory.h... yes checking for strings.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for unistd.h... yes checking minix/config.h usability... no checking minix/config.h presence... no checking for minix/config.h... no checking whether it is safe to define __EXTENSIONS__... yes checking for C compiler vendor... gnu checking for perl... /usr/bin/perl checking for base cc compiler... (cached) cc checking whether a simple C MPI program compiles... yes checking for TARGET 64bit-ness... LINUX64 configure: searching for MPI_PR... checking whether to enable assertions... yes checking for dirent.h that defines DIR... yes checking for library containing opendir... none required checking for stdbool.h that conforms to C99... yes checking for _Bool... yes checking for ANSI C header files... (cached) yes checking for sys/wait.h that is POSIX.1 compatible... yes checking assert.h usability... yes checking assert.h presence... yes checking for assert.h... yes checking errno.h usability... yes checking errno.h presence... yes checking for errno.h... yes checking fcntl.h usability... yes checking fcntl.h presence... yes checking for fcntl.h... yes checking ffio.h usability... no checking ffio.h presence... no checking for ffio.h... no checking limits.h usability... yes checking limits.h presence... yes checking for limits.h... yes checking linux/limits.h usability... yes checking linux/limits.h presence... yes checking for linux/limits.h... yes checking malloc.h usability... yes checking malloc.h presence... yes checking for malloc.h... yes checking math.h usability... yes checking math.h presence... yes checking for math.h... yes checking stddef.h usability... yes checking stddef.h presence... yes checking for stddef.h... yes checking for stdint.h... (cached) yes checking stdio.h usability... yes checking stdio.h presence... yes checking for stdio.h... yes checking for stdlib.h... (cached) yes checking for string.h... (cached) yes checking for strings.h... (cached) yes checking sys/file.h usability... yes checking sys/file.h presence... yes checking for sys/file.h... yes checking sys/fsid.h usability... no checking sys/fsid.h presence... no checking for sys/fsid.h... no checking sys/fstyp.h usability... no checking sys/fstyp.h presence... no checking for sys/fstyp.h... no checking sys/ioctl.h usability... yes checking sys/ioctl.h presence... yes checking for sys/ioctl.h... yes checking sys/iosw.h usability... no checking sys/iosw.h presence... no checking for sys/iosw.h... no checking sys/ipc.h usability... yes checking sys/ipc.h presence... yes checking for sys/ipc.h... yes checking sys/mman.h usability... yes checking sys/mman.h presence... yes checking for sys/mman.h... yes checking sys/mount.h usability... yes checking sys/mount.h presence... yes checking for sys/mount.h... yes checking sys/param.h usability... yes checking sys/param.h presence... yes checking for sys/param.h... yes checking sys/sem.h usability... yes checking sys/sem.h presence... yes checking for sys/sem.h... yes checking sys/shm.h usability... yes checking sys/shm.h presence... yes checking for sys/shm.h... yes checking sys/statfs.h usability... yes checking sys/statfs.h presence... yes checking for sys/statfs.h... yes checking for sys/stat.h... (cached) yes checking sys/statvfs.h usability... yes checking sys/statvfs.h presence... yes checking for sys/statvfs.h... yes checking sys/time.h usability... yes checking sys/time.h presence... yes checking for sys/time.h... yes checking for sys/types.h... (cached) yes checking sys/vfs.h usability... yes checking sys/vfs.h presence... yes checking for sys/vfs.h... yes checking time.h usability... yes checking time.h presence... yes checking for time.h... yes checking for unistd.h... (cached) yes checking windows.h usability... no checking windows.h presence... no checking for windows.h... no checking for an ANSI C-conforming const... yes checking for inline... inline checking for C/C++ restrict keyword... __restrict checking for working volatile... yes checking for int64_t... yes checking for long double... yes checking for off_t... yes checking for pid_t... yes checking return type of signal handlers... void checking for size_t... yes checking for special C compiler options needed for large files... no checking for _FILE_OFFSET_BITS value needed for large files... no checking for _LARGEFILE_SOURCE value needed for large files... no checking for preprocessor symbol for function name... __func__ checking for C global variable containing the name of the program... __progname checking whether cc supports #pragma weak... yes checking for union semun in sys/sem.h... no checking for -fno-aggressive-loop-optimizations support in C compiler... -fno-aggressive-loop-optimizations checking size of void*... 8 checking size of char... 1 checking size of short... 2 checking size of int... 4 checking size of long... 8 checking size of long long... 8 checking size of float... 4 checking size of double... 8 checking size of long double... 16 checking for smallest C integer matching void*... long checking vfork.h usability... no checking vfork.h presence... no checking for vfork.h... no checking for fork... yes checking for vfork... yes checking for working fork... yes checking for working vfork... (cached) yes checking for stdlib.h... (cached) yes checking for unistd.h... (cached) yes checking for sys/param.h... (cached) yes checking for getpagesize... yes checking for working mmap... yes checking sys/select.h usability... yes checking sys/select.h presence... yes checking for sys/select.h... yes checking sys/socket.h usability... yes checking sys/socket.h presence... yes checking for sys/socket.h... yes checking types of arguments for select... int,fd_set *,struct timeval * checking for library containing floor... none required checking for library containing modf... none required checking for library containing pow... none required checking for library containing sqrt... none required checking for library containing hypot... none required checking for bcopy... yes checking for bzero... yes checking for create_shared_region... no checking for ftruncate... yes checking for gethostbyname... yes checking for gethostname... yes checking for getpagesize... (cached) yes checking for gettimeofday... yes checking for memalign... yes checking for memcpy... yes checking for memset... yes checking for munmap... yes checking for pause... yes checking for posix_memalign... yes checking for putenv... yes checking for select... yes checking for setenv... yes checking for shared_malloc... no checking for shmalloc... no checking for socket... yes checking for srand... yes checking for srandom... yes checking for strchr... yes checking for strdup... yes checking for strerror... yes checking for strstr... yes checking for strtol... yes checking for openpl in -lplot... no checking for specific C optimizations... configure: configure: C++ compiler (disabled, but some tests still required) configure: checking whether we are using the GNU C++ compiler... yes checking whether CC accepts -g... yes checking dependency style of CC... gcc3 checking for perl... (cached) /usr/bin/perl checking for base CC compiler... (cached) CC configure: configure: Assembler configure: checking dependency style of cc... gcc3 configure: configure: Fortran compiler configure: checking whether we are using the GNU Fortran 77 compiler... yes checking whether ftn accepts -g... yes checking for perl... (cached) /usr/bin/perl checking for base ftn compiler... (cached) ftn checking for Fortran 77 compiler vendor... gnu checking whether a simple Fortran MPI program compiles... yes checking for Fortran 77 flag to suppress info messages... none checking how to get verbose linking output from ftn... -v checking for Fortran 77 libraries of ftn... -L/opt/cray/libsci/16.11.1/GNU/4.9/x86_64/lib -L/opt/cray/dmapp/default/lib64 -L/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib -L/opt/cray/papi/5.4.1.3/lib -L/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64 -L/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64 -L/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64 -L/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64 -L/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64 -L/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64 -L/sw/xe/darshan/3.1.3/darshan-3.1.3/lib -L/opt/cray/atp/2.0.4/libApp -L/usr/local/lib -L/opt/cray/wlm_detect/1.0-1.0502.64649.2.2.gem/lib64 -L/opt/gcc/4.9.3/snos/lib/gcc/x86_64-suse-linux/4.9.3 -L/opt/gcc/4.9.3/snos/lib/gcc/x86_64-suse-linux/4.9.3/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/opt/gcc/4.9.3/snos/lib/gcc/x86_64-suse-linux/4.9.3/../../.. -lpapi -ldl -lpfm -lAtpSigHandler -lAtpSigHCommData -lpthread -lfmpich -lmpichcxx -ldarshan -ldarshan-stubs -lz -lsci_gnu_49_mpi -lsci_gnu_49 -lmpichf90_gnu_49 -lrt -lugni -lpmi -lmpich_gnu_49 -lalpslli -lwlm_detect -lalpsutil -lrca -lxpmem -ludreg -lgfortran -lquadmath -lm checking whether FLIBS needs -lgcc_s... no checking for ftn flag to add single underscore to external names... none checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore checking how to pass symbols to preprocessed ftn... -D checking whether ftn needs a flag to compile fixed format source... none checking whether ftn needs a flag to compile inconsistent types... none checking for desired Fortran INTEGER size... 8 checking for INTEGER size compile flag... -fdefault-integer-8 checking for -fno-aggressive-loop-optimizations support in Fortran 77 compiler... -fno-aggressive-loop-optimizations checking size of Fortran INTEGER... 8 checking size of Fortran REAL... 4 checking size of Fortran DOUBLE PRECISION... 8 checking for dtime... no checking for etime... no checking for ftn flush routine... flush checking for flag to disable ftn main when linking with C main... none checking for routines to access the command line from Fortran... yes checking whether Fortran hidden string length convention is after args... yes checking for C type corresponding to INTEGER... long checking for C type corresponding to REAL... float checking for C type corresponding to DOUBLE PRECISION... double checking whether we can safely implement F77_FUNC(srand48)... 1 checking for specific Fortran optimizations... configure: configure: Checks for BLAS,LAPACK,ScaLAPACK configure: configure: Attempting to locate BLAS library checking for BLAS with user-supplied flags... yes configure: WARNING: LAPACK library not found, using internal LAPACK configure: Attempting to locate LAPACK library configure: Attempting to locate SCALAPACK library checking for SCALAPACK with user-supplied flags... yes checking whether SCALAPACK implements pdsyevr... yes configure: Attempting to locate ELPA library checking for ELPA with user-supplied flags... configure: WARNING: ELPA library not found, interfaces won't be defined no checking for ELPA in generic library... no configure: configure: Checks for additional programs configure: checking for grep that handles long lines and -e... (cached) /usr/bin/grep checking for a sed that does not truncate output... /usr/bin/sed checking for python... /usr/bin/python checking for python version... 2.6 checking for python platform... linux2 checking for python script directory... ${prefix}/lib64/python2.6/site-packages checking for python extension module directory... ${exec_prefix}/lib64/python2.6/site-packages checking for m4... /usr/bin/m4 checking for perl... (cached) /usr/bin/perl configure: configure: Libtool setup configure: checking how to print strings... printf checking for a sed that does not truncate output... (cached) /usr/bin/sed checking for fgrep... /usr/bin/grep -F checking for ld used by cc... /opt/xalt/0.7.6/sles11.3/bin/ld checking if the linker (/opt/xalt/0.7.6/sles11.3/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/nm -B checking the name lister (/usr/bin/nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 3458764513820540925 checking whether the shell understands some XSI constructs... yes checking whether the shell understands "+="... yes checking how to convert x86_64-unknown-linux-gnu file names to x86_64-unknown-linux-gnu format... func_convert_file_noop checking how to convert x86_64-unknown-linux-gnu file names to toolchain format... func_convert_file_noop checking for /opt/xalt/0.7.6/sles11.3/bin/ld option to reload object files... -r checking for objdump... objdump checking how to recognize dependent libraries... pass_all checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for ar... ar checking for archiver @FILE support... @ checking for strip... strip checking for ranlib... ranlib checking command to parse /usr/bin/nm -B output from cc object... ok checking for sysroot... no checking for mt... mt checking if mt is a manifest tool... no checking for dlfcn.h... yes checking for objdir... .libs checking if cc supports -fno-rtti -fno-exceptions... no checking for cc option to produce PIC... -fPIC -DPIC checking if cc PIC flag -fPIC -DPIC works... yes checking if cc static flag -static works... yes checking if cc supports -c -o file.o... yes checking if cc supports -c -o file.o... (cached) yes checking whether the cc linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking whether stripping libraries is possible... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... no checking whether to build static libraries... yes checking how to run the C++ preprocessor... CC -E checking for ld used by CC... /opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64 checking if the linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) is GNU ld... yes checking whether the CC linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking for CC option to produce PIC... -fPIC -DPIC checking if CC PIC flag -fPIC -DPIC works... yes checking if CC static flag -static works... yes checking if CC supports -c -o file.o... yes checking if CC supports -c -o file.o... (cached) yes checking whether the CC linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking if libtool supports shared libraries... yes checking whether to build shared libraries... no checking whether to build static libraries... yes checking for ftn option to produce PIC... -fPIC checking if ftn PIC flag -fPIC works... yes checking if ftn static flag -static works... yes checking if ftn supports -c -o file.o... yes checking if ftn supports -c -o file.o... (cached) yes checking whether the ftn linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate configure: configure: Miscellaneous remaining setup configure: checking for mpirun... no checking for mpiexec... no configure: creating ./config.status config.status: creating Makefile config.status: creating gaf2c/farg.h config.status: creating gaf2c/typesf2c.h config.status: creating global/src/global.fh config.status: creating ma/mafdecls.fh config.status: creating ma/matypes.h config.status: creating tools/ga-config config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands === configuring in armci (/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/armci) configure: running /bin/sh ../../ga-5-4/armci/configure --disable-option-checking '--prefix=/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install' '--with-tcgmsg' '--with-mpi' '--enable-peigs' '--enable-underscoring' '--disable-mpi-tests' '--with-scalapack=-lsci_gnu' '--without-lapack' '--with-blas4=-lsci_gnu' '--with-mpi-pr' 'CC=cc' 'MPICC=cc' 'CXX=CC' 'MPICXX=CC' 'F77=ftn' 'MPIF77=ftn' 'ARMCI_DEFAULT_SHMMAX_UBOUND=131072' --cache-file=/dev/null --srcdir=../../ga-5-4/armci checking build system type... x86_64-unknown-linux-gnu checking host system type... x86_64-unknown-linux-gnu checking for TARGET base (64bit-ness checked later)... LINUX checking whether we think this system is what we call SYSV... yes checking whether we are cross compiling... no checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane... yes checking for a thread-safe mkdir -p... /bin/mkdir -p checking for gawk... gawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking whether to enable maintainer-specific portions of Makefiles... no configure: Detected VPATH build checking for ARMCI_DEFAULT_SHMMAX upper bound... 131072 configure: configure: C compiler configure: checking for style of include used by make... GNU checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether we are using the GNU C compiler... yes checking whether cc accepts -g... yes checking for cc option to accept ISO C89... none needed checking dependency style of cc... gcc3 checking how to run the C preprocessor... cc -E checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for ANSI C header files... yes checking for sys/types.h... yes checking for sys/stat.h... yes checking for stdlib.h... yes checking for string.h... yes checking for memory.h... yes checking for strings.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for unistd.h... yes checking minix/config.h usability... no checking minix/config.h presence... no checking for minix/config.h... no checking whether it is safe to define __EXTENSIONS__... yes checking for C compiler vendor... gnu checking for perl... /usr/bin/perl checking for base cc compiler... (cached) cc checking whether a simple C MPI program compiles... yes checking for TARGET 64bit-ness... LINUX64 configure: searching for MPI_PR... checking whether to enable assertions... yes checking for dirent.h that defines DIR... yes checking for library containing opendir... none required checking for stdbool.h that conforms to C99... yes checking for _Bool... yes checking for ANSI C header files... (cached) yes checking for sys/wait.h that is POSIX.1 compatible... yes checking for assert.h... yes checking for c_asm.h... no checking for errno.h... yes checking for fcntl.h... yes checking for float.h... yes checking for ia64/sys/inline.h... no checking for malloc.h... yes checking for math.h... yes checking for memory.h... (cached) yes checking for mpp/shmem.h... no checking for netdb.h... yes checking for netinet/in.h... yes checking for netinet/tcp.h... yes checking for process.h... no checking for setjmp.h... yes checking for signal.h... yes checking for stdarg.h... yes checking for stdint.h... (cached) yes checking for stdio.h... yes checking for stdlib.h... (cached) yes checking for string.h... (cached) yes checking for strings.h... (cached) yes checking for sys/types.h... (cached) yes checking for sys/atomic_op.h... no checking for sys/errno.h... yes checking for sys/file.h... yes checking for sys/ipc.h... yes checking for sys/mman.h... yes checking for sys/param.h... yes checking for sys/sem.h... yes checking for sys/shm.h... yes checking for sys/socket.h... yes checking for sys/stat.h... (cached) yes checking for sys/syscall.h... yes checking for sys/systemcfg.h... no checking for sys/time.h... yes checking for sys/uio.h... yes checking for sys/wait.h... (cached) yes checking for time.h... yes checking for unistd.h... (cached) yes checking for windows.h... no checking for winsock.h... no checking for rpc/rpc.h... yes checking for rpc/types.h... yes checking for rpc/xdr.h... yes checking for an ANSI C-conforming const... yes checking for inline... inline checking for C/C++ restrict keyword... __restrict checking for working volatile... yes checking for int16_t... yes checking for int32_t... yes checking for int64_t... yes checking for off_t... yes checking for pid_t... yes checking return type of signal handlers... void checking for size_t... yes checking for ssize_t... yes checking for uint8_t... yes checking for uint16_t... yes checking for uint32_t... yes checking for uint64_t... yes checking for ptrdiff_t... yes checking for preprocessor symbol for function name... __func__ checking whether cc supports #pragma weak... yes checking for union semun in sys/sem.h... no checking size of void*... 8 checking size of char... 1 checking size of short... 2 checking size of int... 4 checking size of long... 8 checking size of long long... 8 checking size of float... 4 checking size of double... 8 checking for smallest C integer matching void*... long checking vfork.h usability... no checking vfork.h presence... no checking for vfork.h... no checking for fork... yes checking for vfork... yes checking for working fork... yes checking for working vfork... (cached) yes checking for stdlib.h... (cached) yes checking for unistd.h... (cached) yes checking for sys/param.h... (cached) yes checking for getpagesize... yes checking for working mmap... yes checking sys/select.h usability... yes checking sys/select.h presence... yes checking for sys/select.h... yes checking for sys/socket.h... (cached) yes checking types of arguments for select... int,fd_set *,struct timeval * checking for vprintf... yes checking for _doprnt... no checking for library containing floor... none required checking for library containing pow... none required checking for library containing sqrt... none required checking for bzero... yes checking for fastbcopy... no checking for ftruncate... yes checking for gethostbyname... yes checking for getpagesize... (cached) yes checking for gettimeofday... yes checking for memset... yes checking for munmap... yes checking for select... yes checking for socket... yes checking for strchr... yes checking for strdup... yes checking for strerror... yes checking for strstr... yes checking for strtol... yes checking for _lock_try... no checking for _acquire_lock... no checking for xdr_char... yes checking for pthread_getconcurrency... yes checking for pthread_setconcurrency... yes checking for specific C optimizations... configure: configure: C++ compiler (disabled, but some tests still required) configure: checking whether we are using the GNU C++ compiler... yes checking whether CC accepts -g... yes checking dependency style of CC... gcc3 checking for perl... (cached) /usr/bin/perl checking for base CC compiler... (cached) CC configure: configure: Assembler configure: checking dependency style of cc... gcc3 checking whether NO_I386ASM is needed... no configure: configure: Checks for additional programs configure: checking for grep that handles long lines and -e... (cached) /usr/bin/grep checking for a sed that does not truncate output... /usr/bin/sed configure: configure: Libtool setup configure: checking how to print strings... printf checking for a sed that does not truncate output... (cached) /usr/bin/sed checking for fgrep... /usr/bin/grep -F checking for ld used by cc... /opt/xalt/0.7.6/sles11.3/bin/ld checking if the linker (/opt/xalt/0.7.6/sles11.3/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/nm -B checking the name lister (/usr/bin/nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 3458764513820540925 checking whether the shell understands some XSI constructs... yes checking whether the shell understands "+="... yes checking how to convert x86_64-unknown-linux-gnu file names to x86_64-unknown-linux-gnu format... func_convert_file_noop checking how to convert x86_64-unknown-linux-gnu file names to toolchain format... func_convert_file_noop checking for /opt/xalt/0.7.6/sles11.3/bin/ld option to reload object files... -r checking for objdump... objdump checking how to recognize dependent libraries... pass_all checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for ar... ar checking for archiver @FILE support... @ checking for strip... strip checking for ranlib... ranlib checking command to parse /usr/bin/nm -B output from cc object... ok checking for sysroot... no checking for mt... mt checking if mt is a manifest tool... no checking for dlfcn.h... yes checking for objdir... .libs checking if cc supports -fno-rtti -fno-exceptions... no checking for cc option to produce PIC... -fPIC -DPIC checking if cc PIC flag -fPIC -DPIC works... yes checking if cc static flag -static works... yes checking if cc supports -c -o file.o... yes checking if cc supports -c -o file.o... (cached) yes checking whether the cc linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking whether stripping libraries is possible... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... no checking whether to build static libraries... yes checking how to run the C++ preprocessor... CC -E checking for ld used by CC... /opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64 checking if the linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) is GNU ld... yes checking whether the CC linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking for CC option to produce PIC... -fPIC -DPIC checking if CC PIC flag -fPIC -DPIC works... yes checking if CC static flag -static works... yes checking if CC supports -c -o file.o... yes checking if CC supports -c -o file.o... (cached) yes checking whether the CC linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate configure: configure: Miscellaneous remaining setup configure: configure: checking for remote shell checking for rsh... /usr/bin/rsh checking for mpirun... no checking for mpiexec... no configure: creating ./config.status config.status: creating Makefile config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands configure: configure: ************************************************************** configure: Aggregate Remote Memory Copy Interface (ARMCI) configured as follows: configure: ************************************************************** configure: configure: TARGET=LINUX64 configure: MSG_COMMS=MPI configure: GA_MP_LIBS= configure: GA_MP_LDFLAGS= configure: GA_MP_CPPFLAGS= configure: ARMCI_NETWORK=MPI_PR configure: ARMCI_NETWORK_LDFLAGS= configure: ARMCI_NETWORK_LIBS= configure: ARMCI_NETWORK_CPPFLAGS= configure: CC=cc configure: unwrapped CC=cc configure: CFLAGS= configure: ARMCI_COPT= configure: CPP=cc -E configure: CPPFLAGS= configure: LDFLAGS= configure: LIBS= configure: FLIBS= configure: AR=ar configure: AR_FLAGS=cru configure: CCAS=cc configure: CCAS_FLAGS= configure: DEFS=-DHAVE_CONFIG_H configure: SHELL=/bin/sh configure: MPIEXEC= -n %NP% configure: NPROCS=4 configure: === configuring in comex (/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/comex) configure: running /bin/sh ../../ga-5-4/comex/configure --disable-option-checking '--prefix=/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install' '--with-tcgmsg' '--with-mpi' '--enable-peigs' '--enable-underscoring' '--disable-mpi-tests' '--with-scalapack=-lsci_gnu' '--without-lapack' '--with-blas4=-lsci_gnu' '--with-mpi-pr' 'CC=cc' 'MPICC=cc' 'CXX=CC' 'MPICXX=CC' 'F77=ftn' 'MPIF77=ftn' 'ARMCI_DEFAULT_SHMMAX_UBOUND=131072' --cache-file=/dev/null --srcdir=../../ga-5-4/comex checking for a BSD-compatible install... /usr/bin/install -c checking whether build environment is sane... yes checking for a thread-safe mkdir -p... /bin/mkdir -p checking for gawk... gawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking whether to enable maintainer-specific portions of Makefiles... no configure: Detected VPATH build configure: configure: C compiler configure: checking for style of include used by make... GNU checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether we are using the GNU C compiler... yes checking whether cc accepts -g... yes checking for cc option to accept ISO C89... none needed checking dependency style of cc... gcc3 checking how to run the C preprocessor... cc -E checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for ANSI C header files... yes checking for sys/types.h... yes checking for sys/stat.h... yes checking for stdlib.h... yes checking for string.h... yes checking for memory.h... yes checking for strings.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for unistd.h... yes checking minix/config.h usability... no checking minix/config.h presence... no checking for minix/config.h... no checking whether it is safe to define __EXTENSIONS__... yes checking for perl... /usr/bin/perl checking for base cc compiler... (cached) cc checking whether a simple C MPI program compiles... yes configure: searching for MPI_PR... checking mpi.h usability... yes checking mpi.h presence... yes checking for mpi.h... yes checking for library containing MPI_Init... none required checking whether to enable assertions... yes checking for dirent.h that defines DIR... yes checking for library containing opendir... none required checking for stdbool.h that conforms to C99... yes checking for _Bool... yes checking for ANSI C header files... (cached) yes checking for sys/wait.h that is POSIX.1 compatible... yes checking assert.h usability... yes checking assert.h presence... yes checking for assert.h... yes checking errno.h usability... yes checking errno.h presence... yes checking for errno.h... yes checking getopt.h usability... yes checking getopt.h presence... yes checking for getopt.h... yes checking math.h usability... yes checking math.h presence... yes checking for math.h... yes checking pthread.h usability... yes checking pthread.h presence... yes checking for pthread.h... yes checking sched.h usability... yes checking sched.h presence... yes checking for sched.h... yes checking semaphore.h usability... yes checking semaphore.h presence... yes checking for semaphore.h... yes checking for stdint.h... (cached) yes checking stdio.h usability... yes checking stdio.h presence... yes checking for stdio.h... yes checking for stdlib.h... (cached) yes checking for string.h... (cached) yes checking for strings.h... (cached) yes checking sys/time.h usability... yes checking sys/time.h presence... yes checking for sys/time.h... yes checking for sys/types.h... (cached) yes checking for unistd.h... (cached) yes checking for an ANSI C-conforming const... yes checking for inline... inline checking for C/C++ restrict keyword... __restrict checking for working volatile... yes checking for int8_t... yes checking for int16_t... yes checking for int32_t... yes checking for int64_t... yes checking for off_t... yes checking for pid_t... yes checking for size_t... yes checking for uint8_t... yes checking for uint16_t... yes checking for uint32_t... yes checking for uint64_t... yes checking for ptrdiff_t... yes checking for preprocessor symbol for function name... __func__ checking whether cc supports #pragma weak... yes checking size of MPI_Aint... 8 checking size of void*... 8 checking size of char... 1 checking size of short... 2 checking size of int... 4 checking size of long... 8 checking size of long long... 8 checking size of float... 4 checking size of double... 8 checking for stdlib.h... (cached) yes checking for unistd.h... (cached) yes checking for sys/param.h... yes checking for getpagesize... yes checking for working mmap... yes checking for library containing sqrt... none required checking for library containing sem_open... none required checking for library containing shm_open... none required checking for library containing shm_unlink... none required checking for bzero... yes checking for gettimeofday... yes checking for memset... yes checking for munmap... yes checking for pthread_setaffinity_np... yes checking for sched_setaffinity... yes checking for strchr... yes checking for strdup... yes checking for strncasecmp... yes checking for strstr... yes checking for MPI_Ibarrier... yes checking for MPIX_Ibarrier... no configure: Attempting to locate BLAS library checking for BLAS with user-supplied flags... yes configure: configure: Checks for additional programs configure: checking for grep that handles long lines and -e... (cached) /usr/bin/grep checking for a sed that does not truncate output... /usr/bin/sed configure: configure: Libtool setup configure: checking build system type... x86_64-unknown-linux-gnu checking host system type... x86_64-unknown-linux-gnu checking how to print strings... printf checking for a sed that does not truncate output... (cached) /usr/bin/sed checking for fgrep... /usr/bin/grep -F checking for ld used by cc... /opt/xalt/0.7.6/sles11.3/bin/ld checking if the linker (/opt/xalt/0.7.6/sles11.3/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/nm -B checking the name lister (/usr/bin/nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 3458764513820540925 checking whether the shell understands some XSI constructs... yes checking whether the shell understands "+="... yes checking how to convert x86_64-unknown-linux-gnu file names to x86_64-unknown-linux-gnu format... func_convert_file_noop checking how to convert x86_64-unknown-linux-gnu file names to toolchain format... func_convert_file_noop checking for /opt/xalt/0.7.6/sles11.3/bin/ld option to reload object files... -r checking for objdump... objdump checking how to recognize dependent libraries... pass_all checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for ar... ar checking for archiver @FILE support... @ checking for strip... strip checking for ranlib... ranlib checking command to parse /usr/bin/nm -B output from cc object... ok checking for sysroot... no checking for mt... mt checking if mt is a manifest tool... no checking for dlfcn.h... yes checking for objdir... .libs checking if cc supports -fno-rtti -fno-exceptions... no checking for cc option to produce PIC... -fPIC -DPIC checking if cc PIC flag -fPIC -DPIC works... yes checking if cc static flag -static works... yes checking if cc supports -c -o file.o... yes checking if cc supports -c -o file.o... (cached) yes checking whether the cc linker (/opt/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes checking dynamic linker characteristics... GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking whether stripping libraries is possible... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... no checking whether to build static libraries... yes checking for mpirun... no checking for mpiexec... no configure: creating ./config.status config.status: creating Makefile config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands configure: configure: ************************************************************** configure: Communication Runtime for Extreme Scale (comex) configured as follows: configure: ************************************************************** configure: configure: MPI_LIBS= configure: MPI_LDFLAGS= configure: MPI_CPPFLAGS= configure: COMEX_NETWORK=MPI_PR configure: COMEX_NETWORK_LDFLAGS= configure: COMEX_NETWORK_LIBS= configure: COMEX_NETWORK_CPPFLAGS= configure: CC=cc configure: unwrapped CC=cc configure: CFLAGS=-g -O2 configure: CPP=cc -E configure: CPPFLAGS= configure: LDFLAGS= configure: LIBS= configure: FLIBS= configure: AR=ar configure: AR_FLAGS=cru configure: DEFS=-DHAVE_CONFIG_H configure: SHELL=/bin/sh configure: MPIEXEC= -n %NP% configure: NPROCS=4 configure: configure: configure: ************************************************************** configure: Global Arrays (GA) configured as follows: configure: ************************************************************** configure: configure: TARGET=LINUX64 configure: MSG_COMMS=MPI configure: GA_MP_LIBS= configure: GA_MP_LDFLAGS= configure: GA_MP_CPPFLAGS= configure: ARMCI_NETWORK=MPI_PR configure: ARMCI_NETWORK_LDFLAGS= configure: ARMCI_NETWORK_LIBS= configure: ARMCI_NETWORK_CPPFLAGS= configure: F77=ftn configure: unwrapped F77=ftn configure: FFLAGS= configure: FFLAG_INT=-fdefault-integer-8 configure: FFLAG_NO_LOOP_OPT=-fno-aggressive-loop-optimizations configure: GA_FOPT= configure: CC=cc configure: unwrapped CC=cc configure: CFLAGS= configure: CFLAG_NO_LOOP_OPT=-fno-aggressive-loop-optimizations configure: GA_COPT= configure: CPP=cc -E configure: CPPFLAGS= configure: LDFLAGS= configure: LIBS= configure: FLIBS= -L/opt/cray/libsci/16.11.1/GNU/4.9/x86_64/lib -L/opt/cray/dmapp/default/lib64 -L/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib -L/opt/cray/papi/5.4.1.3/lib -L/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64 -L/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64 -L/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64 -L/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64 -L/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64 -L/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64 -L/sw/xe/darshan/3.1.3/darshan-3.1.3/lib -L/opt/cray/atp/2.0.4/libApp -L/usr/local/lib -L/opt/cray/wlm_detect/1.0-1.0502.64649.2.2.gem/lib64 -L/opt/gcc/4.9.3/snos/lib/gcc/x86_64-suse-linux/4.9.3 -L/opt/gcc/4.9.3/snos/lib/gcc/x86_64-suse-linux/4.9.3/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/opt/gcc/4.9.3/snos/lib/gcc/x86_64-suse-linux/4.9.3/../../.. -lpapi -ldl -lpfm -lAtpSigHandler -lAtpSigHCommData -lpthread -lfmpich -lmpichcxx -ldarshan -ldarshan-stubs -lz -lsci_gnu_49_mpi -lsci_gnu_49 -lmpichf90_gnu_49 -lrt -lugni -lpmi -lmpich_gnu_49 -lalpslli -lwlm_detect -lalpsutil -lrca -lxpmem -ludreg -lgfortran -lquadmath -lm configure: BLAS_LDFLAGS= configure: BLAS_LIBS= -lsci_gnu configure: BLAS_CPPFLAGS= configure: AR=ar configure: AR_FLAGS=cru configure: CCAS=cc configure: CCAS_FLAGS= configure: DEFS=-DHAVE_CONFIG_H configure: SHELL=/bin/sh configure: MPIEXEC= -n %NP% configure: NPROCS=4 configure: cd build && /bin/sh ./config.status config.status: creating Makefile config.status: creating gaf2c/farg.h config.status: creating gaf2c/typesf2c.h config.status: creating global/src/global.fh config.status: creating ma/mafdecls.fh config.status: creating ma/matypes.h config.status: creating tools/ga-config config.status: creating config.h config.status: config.h is unchanged config.status: executing depfiles commands config.status: executing libtool commands *** Building Parallel Tools **** make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' \ /usr/bin/sed "/^#/!d" config.h > config.fh \ /usr/bin/sed -e "s/PAPI/WAPI/g" \ -e "s/pnga_/wnga_/g" \ -e "/typedef/d" \ ../ga-5-4/global/src/ga-papi.h > global/src/ga-wapi.h \ /usr/bin/sed -e "s/PAPI/WAPIDEFS/g" \ -e "s/^.*p\(nga_.*\)(.*$/#define w\1 p\1/g" \ -e "/^ /d" \ -e "/^\/\*/d" \ -e "/^ \*/d" \ -e "/typedef/d" \ ../ga-5-4/global/src/ga-papi.h > global/src/ga-wapidefs.h make all-recursive make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' Making all in comex make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/comex' make all-am make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/comex' depbase=`echo src-mpi-pr/comex.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-mpi-pr/comex.lo -MD -MP -MF $depbase.Tpo -c -o src-mpi-pr/comex.lo ../../ga-5-4/comex/src-mpi-pr/comex.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-mpi-pr/comex.lo -MD -MP -MF src-mpi-pr/.deps/comex.Tpo -c ../../ga-5-4/comex/src-mpi-pr/comex.c -o src-mpi-pr/comex.o ../../ga-5-4/comex/src-mpi-pr/groups.c: In function 'xgethostid': ../../ga-5-4/comex/src-mpi-pr/groups.c:542:2: warning: #warning CRAY [-Wcpp] #warning CRAY ^ depbase=`echo src-mpi-pr/groups.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-mpi-pr/groups.lo -MD -MP -MF $depbase.Tpo -c -o src-mpi-pr/groups.lo ../../ga-5-4/comex/src-mpi-pr/groups.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-mpi-pr/groups.lo -MD -MP -MF src-mpi-pr/.deps/groups.Tpo -c ../../ga-5-4/comex/src-mpi-pr/groups.c -o src-mpi-pr/groups.o depbase=`echo src-mpi-pr/reg_cache.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-mpi-pr/reg_cache.lo -MD -MP -MF $depbase.Tpo -c -o src-mpi-pr/reg_cache.lo ../../ga-5-4/comex/src-mpi-pr/reg_cache.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-mpi-pr/reg_cache.lo -MD -MP -MF src-mpi-pr/.deps/reg_cache.Tpo -c ../../ga-5-4/comex/src-mpi-pr/reg_cache.c -o src-mpi-pr/reg_cache.o /bin/sh ./libtool --tag=CC --mode=link cc -g -O2 -o libcomex.la -rpath /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib src-mpi-pr/comex.lo src-mpi-pr/groups.lo src-mpi-pr/reg_cache.lo libtool: link: ar cru .libs/libcomex.a src-mpi-pr/comex.o src-mpi-pr/groups.o src-mpi-pr/reg_cache.o libtool: link: ranlib .libs/libcomex.a libtool: link: ( cd ".libs" && rm -f "libcomex.la" && ln -s "../libcomex.la" "libcomex.la" ) depbase=`echo src-armci/armci.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/armci.lo -MD -MP -MF $depbase.Tpo -c -o src-armci/armci.lo ../../ga-5-4/comex/src-armci/armci.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/armci.lo -MD -MP -MF src-armci/.deps/armci.Tpo -c ../../ga-5-4/comex/src-armci/armci.c -o src-armci/armci.o depbase=`echo src-armci/groups.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/groups.lo -MD -MP -MF $depbase.Tpo -c -o src-armci/groups.lo ../../ga-5-4/comex/src-armci/groups.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/groups.lo -MD -MP -MF src-armci/.deps/groups.Tpo -c ../../ga-5-4/comex/src-armci/groups.c -o src-armci/groups.o depbase=`echo src-armci/message.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/message.lo -MD -MP -MF $depbase.Tpo -c -o src-armci/message.lo ../../ga-5-4/comex/src-armci/message.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/message.lo -MD -MP -MF src-armci/.deps/message.Tpo -c ../../ga-5-4/comex/src-armci/message.c -o src-armci/message.o depbase=`echo src-armci/iterator.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/iterator.lo -MD -MP -MF $depbase.Tpo -c -o src-armci/iterator.lo ../../ga-5-4/comex/src-armci/iterator.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/iterator.lo -MD -MP -MF src-armci/.deps/iterator.Tpo -c ../../ga-5-4/comex/src-armci/iterator.c -o src-armci/iterator.o depbase=`echo src-armci/capi.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/capi.lo -MD -MP -MF $depbase.Tpo -c -o src-armci/capi.lo ../../ga-5-4/comex/src-armci/capi.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../../ga-5-4/comex -I../../ga-5-4/comex/src-common -I../../ga-5-4/comex/src-mpi-pr -g -O2 -MT src-armci/capi.lo -MD -MP -MF src-armci/.deps/capi.Tpo -c ../../ga-5-4/comex/src-armci/capi.c -o src-armci/capi.o /bin/sh ./libtool --tag=CC --mode=link cc -g -O2 -o libcomexi.la src-mpi-pr/comex.lo src-mpi-pr/groups.lo src-mpi-pr/reg_cache.lo libtool: link: ar cru .libs/libcomexi.a src-mpi-pr/comex.o src-mpi-pr/groups.o src-mpi-pr/reg_cache.o libtool: link: ranlib .libs/libcomexi.a libtool: link: ( cd ".libs" && rm -f "libcomexi.la" && ln -s "../libcomexi.la" "libcomexi.la" ) /bin/sh ./libtool --tag=CC --mode=link cc -g -O2 -o libarmci.la -rpath /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib src-armci/armci.lo src-armci/groups.lo src-armci/message.lo src-armci/iterator.lo src-armci/capi.lo libcomexi.la libtool: link: (cd .libs/libarmci.lax/libcomexi.a && ar x "/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/comex/./.libs/libcomexi.a") copying selected object files to avoid basename conflicts... libtool: link: ln .libs/libarmci.lax/libcomexi.a/groups.o .libs/libarmci.lax/lt1-groups.o || cp .libs/libarmci.lax/libcomexi.a/groups.o .libs/libarmci.lax/lt1-groups.o libtool: link: ar cru .libs/libarmci.a src-armci/armci.o src-armci/groups.o src-armci/message.o src-armci/iterator.o src-armci/capi.o .libs/libarmci.lax/libcomexi.a/comex.o .libs/libarmci.lax/lt1-groups.o .libs/libarmci.lax/libcomexi.a/reg_cache.o libtool: link: ranlib .libs/libarmci.a libtool: link: rm -fr .libs/libarmci.lax .libs/libarmci.lax libtool: link: ( cd ".libs" && rm -f "libarmci.la" && ln -s "../libarmci.la" "libarmci.la" ) /bin/sh ./libtool --tag=CC --mode=link cc -g -O2 -o libarmcii.la src-armci/armci.lo src-armci/groups.lo src-armci/message.lo src-armci/iterator.lo src-armci/capi.lo libtool: link: ar cru .libs/libarmcii.a src-armci/armci.o src-armci/groups.o src-armci/message.o src-armci/iterator.o src-armci/capi.o libtool: link: ranlib .libs/libarmcii.a libtool: link: ( cd ".libs" && rm -f "libarmcii.la" && ln -s "../libarmcii.la" "libarmcii.la" ) make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/comex' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/comex' Making all in . make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' depbase=`echo compat/random.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT compat/random.lo -MD -MP -MF $depbase.Tpo -c -o compat/random.lo ../ga-5-4/compat/random.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT compat/random.lo -MD -MP -MF compat/.deps/random.Tpo -c ../ga-5-4/compat/random.c -o compat/random.o depbase=`echo ma/error.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/error.lo -MD -MP -MF $depbase.Tpo -c -o ma/error.lo ../ga-5-4/ma/error.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/error.lo -MD -MP -MF ma/.deps/error.Tpo -c ../ga-5-4/ma/error.c -o ma/error.o depbase=`echo ma/f2c.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/f2c.lo -MD -MP -MF $depbase.Tpo -c -o ma/f2c.lo ../ga-5-4/ma/f2c.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/f2c.lo -MD -MP -MF ma/.deps/f2c.Tpo -c ../ga-5-4/ma/f2c.c -o ma/f2c.o depbase=`echo ma/ma.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/ma.lo -MD -MP -MF $depbase.Tpo -c -o ma/ma.lo ../ga-5-4/ma/ma.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/ma.lo -MD -MP -MF ma/.deps/ma.Tpo -c ../ga-5-4/ma/ma.c -o ma/ma.o depbase=`echo ma/string-util.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/string-util.lo -MD -MP -MF $depbase.Tpo -c -o ma/string-util.lo ../ga-5-4/ma/string-util.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/string-util.lo -MD -MP -MF ma/.deps/string-util.Tpo -c ../ga-5-4/ma/string-util.c -o ma/string-util.o depbase=`echo ma/table.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/table.lo -MD -MP -MF $depbase.Tpo -c -o ma/table.lo ../ga-5-4/ma/table.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT ma/table.lo -MD -MP -MF ma/.deps/table.Tpo -c ../ga-5-4/ma/table.c -o ma/table.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o ma/maf.lo ../ga-5-4/ma/maf.F libtool: compile: ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/ma/maf.F -o ma/maf.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_cgemm.lo ../ga-5-4/LinAlg/lapack+blas/gal_cgemm.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_cgemm.f -o LinAlg/lapack+blas/gal_cgemm.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_daxpy.lo ../ga-5-4/LinAlg/lapack+blas/gal_daxpy.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_daxpy.f -o LinAlg/lapack+blas/gal_daxpy.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dcabs1.lo ../ga-5-4/LinAlg/lapack+blas/gal_dcabs1.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dcabs1.f -o LinAlg/lapack+blas/gal_dcabs1.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dcopy.lo ../ga-5-4/LinAlg/lapack+blas/gal_dcopy.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dcopy.f -o LinAlg/lapack+blas/gal_dcopy.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_ddot.lo ../ga-5-4/LinAlg/lapack+blas/gal_ddot.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_ddot.f -o LinAlg/lapack+blas/gal_ddot.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dgemm.lo ../ga-5-4/LinAlg/lapack+blas/gal_dgemm.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dgemm.f -o LinAlg/lapack+blas/gal_dgemm.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dgemv.lo ../ga-5-4/LinAlg/lapack+blas/gal_dgemv.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dgemv.f -o LinAlg/lapack+blas/gal_dgemv.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dger.lo ../ga-5-4/LinAlg/lapack+blas/gal_dger.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dger.f -o LinAlg/lapack+blas/gal_dger.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dgetf2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dgetf2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dgetf2.f -o LinAlg/lapack+blas/gal_dgetf2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dgetrf.lo ../ga-5-4/LinAlg/lapack+blas/gal_dgetrf.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dgetrf.f -o LinAlg/lapack+blas/gal_dgetrf.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dgetrs.lo ../ga-5-4/LinAlg/lapack+blas/gal_dgetrs.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dgetrs.f -o LinAlg/lapack+blas/gal_dgetrs.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_disnan.lo ../ga-5-4/LinAlg/lapack+blas/gal_disnan.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_disnan.f -o LinAlg/lapack+blas/gal_disnan.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlacpy.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlacpy.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlacpy.f -o LinAlg/lapack+blas/gal_dlacpy.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlae2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlae2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlae2.f -o LinAlg/lapack+blas/gal_dlae2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlaev2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlaev2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlaev2.f -o LinAlg/lapack+blas/gal_dlaev2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlaisnan.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlaisnan.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlaisnan.f -o LinAlg/lapack+blas/gal_dlaisnan.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlamch.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlamch.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlamch.f -o LinAlg/lapack+blas/gal_dlamch.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlanst.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlanst.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlanst.f -o LinAlg/lapack+blas/gal_dlanst.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlansy.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlansy.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlansy.f -o LinAlg/lapack+blas/gal_dlansy.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlapy2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlapy2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlapy2.f -o LinAlg/lapack+blas/gal_dlapy2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlarfb.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlarfb.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlarfb.f -o LinAlg/lapack+blas/gal_dlarfb.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlarf.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlarf.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlarf.f -o LinAlg/lapack+blas/gal_dlarf.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlarfg.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlarfg.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlarfg.f -o LinAlg/lapack+blas/gal_dlarfg.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlarft.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlarft.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlarft.f -o LinAlg/lapack+blas/gal_dlarft.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlartg.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlartg.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlartg.f -o LinAlg/lapack+blas/gal_dlartg.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlascl.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlascl.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlascl.f -o LinAlg/lapack+blas/gal_dlascl.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlaset.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlaset.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlaset.f -o LinAlg/lapack+blas/gal_dlaset.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlasr.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlasr.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlasr.f -o LinAlg/lapack+blas/gal_dlasr.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlasrt.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlasrt.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlasrt.f -o LinAlg/lapack+blas/gal_dlasrt.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlassq.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlassq.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlassq.f -o LinAlg/lapack+blas/gal_dlassq.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlaswp.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlaswp.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlaswp.f -o LinAlg/lapack+blas/gal_dlaswp.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dlatrd.lo ../ga-5-4/LinAlg/lapack+blas/gal_dlatrd.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dlatrd.f -o LinAlg/lapack+blas/gal_dlatrd.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dnrm2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dnrm2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dnrm2.f -o LinAlg/lapack+blas/gal_dnrm2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dorg2l.lo ../ga-5-4/LinAlg/lapack+blas/gal_dorg2l.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dorg2l.f -o LinAlg/lapack+blas/gal_dorg2l.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dorg2r.lo ../ga-5-4/LinAlg/lapack+blas/gal_dorg2r.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dorg2r.f -o LinAlg/lapack+blas/gal_dorg2r.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dorgql.lo ../ga-5-4/LinAlg/lapack+blas/gal_dorgql.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dorgql.f -o LinAlg/lapack+blas/gal_dorgql.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dorgqr.lo ../ga-5-4/LinAlg/lapack+blas/gal_dorgqr.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dorgqr.f -o LinAlg/lapack+blas/gal_dorgqr.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dorgtr.lo ../ga-5-4/LinAlg/lapack+blas/gal_dorgtr.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dorgtr.f -o LinAlg/lapack+blas/gal_dorgtr.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dpotf2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dpotf2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dpotf2.f -o LinAlg/lapack+blas/gal_dpotf2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dpotrf.lo ../ga-5-4/LinAlg/lapack+blas/gal_dpotrf.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dpotrf.f -o LinAlg/lapack+blas/gal_dpotrf.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dscal.lo ../ga-5-4/LinAlg/lapack+blas/gal_dscal.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dscal.f -o LinAlg/lapack+blas/gal_dscal.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsteqr.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsteqr.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsteqr.f -o LinAlg/lapack+blas/gal_dsteqr.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsterf.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsterf.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsterf.f -o LinAlg/lapack+blas/gal_dsterf.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dswap.lo ../ga-5-4/LinAlg/lapack+blas/gal_dswap.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dswap.f -o LinAlg/lapack+blas/gal_dswap.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsyev.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsyev.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsyev.f -o LinAlg/lapack+blas/gal_dsyev.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsygs2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsygs2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsygs2.f -o LinAlg/lapack+blas/gal_dsygs2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsygst.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsygst.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsygst.f -o LinAlg/lapack+blas/gal_dsygst.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsygv.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsygv.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsygv.f -o LinAlg/lapack+blas/gal_dsygv.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsymm.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsymm.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsymm.f -o LinAlg/lapack+blas/gal_dsymm.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsymv.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsymv.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsymv.f -o LinAlg/lapack+blas/gal_dsymv.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsyr2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsyr2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsyr2.f -o LinAlg/lapack+blas/gal_dsyr2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsyr2k.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsyr2k.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsyr2k.f -o LinAlg/lapack+blas/gal_dsyr2k.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsyrk.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsyrk.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsyrk.f -o LinAlg/lapack+blas/gal_dsyrk.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsytd2.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsytd2.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsytd2.f -o LinAlg/lapack+blas/gal_dsytd2.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dsytrd.lo ../ga-5-4/LinAlg/lapack+blas/gal_dsytrd.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dsytrd.f -o LinAlg/lapack+blas/gal_dsytrd.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dtrmm.lo ../ga-5-4/LinAlg/lapack+blas/gal_dtrmm.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dtrmm.f -o LinAlg/lapack+blas/gal_dtrmm.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dtrmv.lo ../ga-5-4/LinAlg/lapack+blas/gal_dtrmv.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dtrmv.f -o LinAlg/lapack+blas/gal_dtrmv.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dtrsm.lo ../ga-5-4/LinAlg/lapack+blas/gal_dtrsm.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dtrsm.f -o LinAlg/lapack+blas/gal_dtrsm.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_dtrsv.lo ../ga-5-4/LinAlg/lapack+blas/gal_dtrsv.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_dtrsv.f -o LinAlg/lapack+blas/gal_dtrsv.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_idamax.lo ../ga-5-4/LinAlg/lapack+blas/gal_idamax.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_idamax.f -o LinAlg/lapack+blas/gal_idamax.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_ieeeck.lo ../ga-5-4/LinAlg/lapack+blas/gal_ieeeck.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_ieeeck.f -o LinAlg/lapack+blas/gal_ieeeck.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_iladlc.lo ../ga-5-4/LinAlg/lapack+blas/gal_iladlc.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_iladlc.f -o LinAlg/lapack+blas/gal_iladlc.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_iladlr.lo ../ga-5-4/LinAlg/lapack+blas/gal_iladlr.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_iladlr.f -o LinAlg/lapack+blas/gal_iladlr.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_ilaenv.lo ../ga-5-4/LinAlg/lapack+blas/gal_ilaenv.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_ilaenv.f -o LinAlg/lapack+blas/gal_ilaenv.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_iparmq.lo ../ga-5-4/LinAlg/lapack+blas/gal_iparmq.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_iparmq.f -o LinAlg/lapack+blas/gal_iparmq.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_lsame.lo ../ga-5-4/LinAlg/lapack+blas/gal_lsame.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_lsame.f -o LinAlg/lapack+blas/gal_lsame.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_sgemm.lo ../ga-5-4/LinAlg/lapack+blas/gal_sgemm.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_sgemm.f -o LinAlg/lapack+blas/gal_sgemm.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_xerbla.lo ../ga-5-4/LinAlg/lapack+blas/gal_xerbla.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_xerbla.f -o LinAlg/lapack+blas/gal_xerbla.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_zaxpy.lo ../ga-5-4/LinAlg/lapack+blas/gal_zaxpy.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_zaxpy.f -o LinAlg/lapack+blas/gal_zaxpy.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o LinAlg/lapack+blas/gal_zgemm.lo ../ga-5-4/LinAlg/lapack+blas/gal_zgemm.f libtool: compile: ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/LinAlg/lapack+blas/gal_zgemm.f -o LinAlg/lapack+blas/gal_zgemm.o depbase=`echo LinAlg/lapack+blas/xgemm.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT LinAlg/lapack+blas/xgemm.lo -MD -MP -MF $depbase.Tpo -c -o LinAlg/lapack+blas/xgemm.lo ../ga-5-4/LinAlg/lapack+blas/xgemm.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT LinAlg/lapack+blas/xgemm.lo -MD -MP -MF LinAlg/lapack+blas/.deps/xgemm.Tpo -c ../ga-5-4/LinAlg/lapack+blas/xgemm.c -o LinAlg/lapack+blas/xgemm.o depbase=`echo global/src/base.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/base.lo -MD -MP -MF $depbase.Tpo -c -o global/src/base.lo ../ga-5-4/global/src/base.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/base.lo -MD -MP -MF global/src/.deps/base.Tpo -c ../ga-5-4/global/src/base.c -o global/src/base.o depbase=`echo global/src/capi.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/capi.lo -MD -MP -MF $depbase.Tpo -c -o global/src/capi.lo ../ga-5-4/global/src/capi.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/capi.lo -MD -MP -MF global/src/.deps/capi.Tpo -c ../ga-5-4/global/src/capi.c -o global/src/capi.o depbase=`echo global/src/collect.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/collect.lo -MD -MP -MF $depbase.Tpo -c -o global/src/collect.lo ../ga-5-4/global/src/collect.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/collect.lo -MD -MP -MF global/src/.deps/collect.Tpo -c ../ga-5-4/global/src/collect.c -o global/src/collect.o depbase=`echo global/src/datatypes.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/datatypes.lo -MD -MP -MF $depbase.Tpo -c -o global/src/datatypes.lo ../ga-5-4/global/src/datatypes.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/datatypes.lo -MD -MP -MF global/src/.deps/datatypes.Tpo -c ../ga-5-4/global/src/datatypes.c -o global/src/datatypes.o depbase=`echo global/src/decomp.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/decomp.lo -MD -MP -MF $depbase.Tpo -c -o global/src/decomp.lo ../ga-5-4/global/src/decomp.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/decomp.lo -MD -MP -MF global/src/.deps/decomp.Tpo -c ../ga-5-4/global/src/decomp.c -o global/src/decomp.o depbase=`echo global/src/DP.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/DP.lo -MD -MP -MF $depbase.Tpo -c -o global/src/DP.lo ../ga-5-4/global/src/DP.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/DP.lo -MD -MP -MF global/src/.deps/DP.Tpo -c ../ga-5-4/global/src/DP.c -o global/src/DP.o depbase=`echo global/src/elem_alg.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/elem_alg.lo -MD -MP -MF $depbase.Tpo -c -o global/src/elem_alg.lo ../ga-5-4/global/src/elem_alg.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/elem_alg.lo -MD -MP -MF global/src/.deps/elem_alg.Tpo -c ../ga-5-4/global/src/elem_alg.c -o global/src/elem_alg.o depbase=`echo global/src/fapi.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/fapi.lo -MD -MP -MF $depbase.Tpo -c -o global/src/fapi.lo ../ga-5-4/global/src/fapi.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/fapi.lo -MD -MP -MF global/src/.deps/fapi.Tpo -c ../ga-5-4/global/src/fapi.c -o global/src/fapi.o depbase=`echo global/src/ga_diag_seqc.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/ga_diag_seqc.lo -MD -MP -MF $depbase.Tpo -c -o global/src/ga_diag_seqc.lo ../ga-5-4/global/src/ga_diag_seqc.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/ga_diag_seqc.lo -MD -MP -MF global/src/.deps/ga_diag_seqc.Tpo -c ../ga-5-4/global/src/ga_diag_seqc.c -o global/src/ga_diag_seqc.o ../ga-5-4/global/src/ga_solve_seq.c: In function 'pnga_lu_solve_seq': ../ga-5-4/global/src/ga_solve_seq.c:547:64: warning: passing argument 5 of 'gal_dgetrf_' from incompatible pointer type LAPACK_DGETRF(&blas_dimA1, &blas_dimA2, adra, &blas_dimA1, adri, &info); ^ In file included from ../ga-5-4/global/src/ga_solve_seq.c:7:0: ../ga-5-4/LinAlg/lapack+blas/galinalg.h:15:31: note: expected 'int *' but argument is of type 'Integer *' #define gal_dgetrf_ F77_FUNC_(gal_dgetrf,GAL_DGETRF) ^ ./config.h:116:30: note: in definition of macro 'F77_FUNC_' #define F77_FUNC_(name,NAME) name ## _ ^ ../ga-5-4/LinAlg/lapack+blas/galinalg.h:78:13: note: in expansion of macro 'gal_dgetrf_' extern void gal_dgetrf_( BlasInt *m, BlasInt *n, DoublePrecision *a, BlasInt *ld, BlasInt *ipiv, BlasInt *info ); ^ In file included from ../ga-5-4/global/src/ga_solve_seq.c:18:0: ../ga-5-4/global/src/ga_solve_seq.c:558:60: warning: passing argument 5 of 'gal_dgetrs_' from incompatible pointer type LAPACK_DGETRS(trans, &blas_dimA1, &blas_dimB2, adra, &blas_dimA1, ^ ../ga-5-4/LinAlg/lapack+blas/galinalg.h:151:40: note: in definition of macro 'LAPACK_DGETRS' gal_dgetrs_(trans, n, nrhs, a, lda, ipiv, b, ldb, info, 1) ^ In file included from ../ga-5-4/global/src/ga_solve_seq.c:7:0: ../ga-5-4/LinAlg/lapack+blas/galinalg.h:16:31: note: expected 'Integer *' but argument is of type 'int *' #define gal_dgetrs_ F77_FUNC_(gal_dgetrs,GAL_DGETRS) ^ ./config.h:116:30: note: in definition of macro 'F77_FUNC_' #define F77_FUNC_(name,NAME) name ## _ ^ ../ga-5-4/LinAlg/lapack+blas/galinalg.h:73:13: note: in expansion of macro 'gal_dgetrs_' extern void gal_dgetrs_(char *trans, BlasInt *n, BlasInt *nrhs, DoublePrecision *a, Integer *lda, Integer *ipiv, DoublePrecision *b, Integer *ldb, Integer *info, int len ); ^ In file included from ../ga-5-4/global/src/ga_solve_seq.c:18:0: ../ga-5-4/global/src/ga_solve_seq.c:559:23: warning: passing argument 8 of 'gal_dgetrs_' from incompatible pointer type adri, adrb, &blas_dimB1, &info); ^ ../ga-5-4/LinAlg/lapack+blas/galinalg.h:151:54: note: in definition of macro 'LAPACK_DGETRS' gal_dgetrs_(trans, n, nrhs, a, lda, ipiv, b, ldb, info, 1) ^ In file included from ../ga-5-4/global/src/ga_solve_seq.c:7:0: ../ga-5-4/LinAlg/lapack+blas/galinalg.h:16:31: note: expected 'Integer *' but argument is of type 'int *' #define gal_dgetrs_ F77_FUNC_(gal_dgetrs,GAL_DGETRS) ^ ./config.h:116:30: note: in definition of macro 'F77_FUNC_' #define F77_FUNC_(name,NAME) name ## _ ^ ../ga-5-4/LinAlg/lapack+blas/galinalg.h:73:13: note: in expansion of macro 'gal_dgetrs_' extern void gal_dgetrs_(char *trans, BlasInt *n, BlasInt *nrhs, DoublePrecision *a, Integer *lda, Integer *ipiv, DoublePrecision *b, Integer *ldb, Integer *info, int len ); ^ In file included from ../ga-5-4/global/src/ga_solve_seq.c:18:0: ../ga-5-4/global/src/ga_solve_seq.c:559:36: warning: passing argument 9 of 'gal_dgetrs_' from incompatible pointer type adri, adrb, &blas_dimB1, &info); ^ ../ga-5-4/LinAlg/lapack+blas/galinalg.h:151:59: note: in definition of macro 'LAPACK_DGETRS' gal_dgetrs_(trans, n, nrhs, a, lda, ipiv, b, ldb, info, 1) ^ In file included from ../ga-5-4/global/src/ga_solve_seq.c:7:0: ../ga-5-4/LinAlg/lapack+blas/galinalg.h:16:31: note: expected 'Integer *' but argument is of type 'int *' #define gal_dgetrs_ F77_FUNC_(gal_dgetrs,GAL_DGETRS) ^ ./config.h:116:30: note: in definition of macro 'F77_FUNC_' #define F77_FUNC_(name,NAME) name ## _ ^ ../ga-5-4/LinAlg/lapack+blas/galinalg.h:73:13: note: in expansion of macro 'gal_dgetrs_' extern void gal_dgetrs_(char *trans, BlasInt *n, BlasInt *nrhs, DoublePrecision *a, Integer *lda, Integer *ipiv, DoublePrecision *b, Integer *ldb, Integer *info, int len ); ^ depbase=`echo global/src/ga_malloc.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/ga_malloc.lo -MD -MP -MF $depbase.Tpo -c -o global/src/ga_malloc.lo ../ga-5-4/global/src/ga_malloc.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/ga_malloc.lo -MD -MP -MF global/src/.deps/ga_malloc.Tpo -c ../ga-5-4/global/src/ga_malloc.c -o global/src/ga_malloc.o depbase=`echo global/src/ga_solve_seq.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/ga_solve_seq.lo -MD -MP -MF $depbase.Tpo -c -o global/src/ga_solve_seq.lo ../ga-5-4/global/src/ga_solve_seq.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/ga_solve_seq.lo -MD -MP -MF global/src/.deps/ga_solve_seq.Tpo -c ../ga-5-4/global/src/ga_solve_seq.c -o global/src/ga_solve_seq.o depbase=`echo global/src/ga_symmetr.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/ga_symmetr.lo -MD -MP -MF $depbase.Tpo -c -o global/src/ga_symmetr.lo ../ga-5-4/global/src/ga_symmetr.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/ga_symmetr.lo -MD -MP -MF global/src/.deps/ga_symmetr.Tpo -c ../ga-5-4/global/src/ga_symmetr.c -o global/src/ga_symmetr.o depbase=`echo global/src/ga_trace.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/ga_trace.lo -MD -MP -MF $depbase.Tpo -c -o global/src/ga_trace.lo ../ga-5-4/global/src/ga_trace.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/ga_trace.lo -MD -MP -MF global/src/.deps/ga_trace.Tpo -c ../ga-5-4/global/src/ga_trace.c -o global/src/ga_trace.o depbase=`echo global/src/ghosts.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/ghosts.lo -MD -MP -MF $depbase.Tpo -c -o global/src/ghosts.lo ../ga-5-4/global/src/ghosts.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/ghosts.lo -MD -MP -MF global/src/.deps/ghosts.Tpo -c ../ga-5-4/global/src/ghosts.c -o global/src/ghosts.o depbase=`echo global/src/global.nalg.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/global.nalg.lo -MD -MP -MF $depbase.Tpo -c -o global/src/global.nalg.lo ../ga-5-4/global/src/global.nalg.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/global.nalg.lo -MD -MP -MF global/src/.deps/global.nalg.Tpo -c ../ga-5-4/global/src/global.nalg.c -o global/src/global.nalg.o depbase=`echo global/src/global.npatch.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/global.npatch.lo -MD -MP -MF $depbase.Tpo -c -o global/src/global.npatch.lo ../ga-5-4/global/src/global.npatch.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/global.npatch.lo -MD -MP -MF global/src/.deps/global.npatch.Tpo -c ../ga-5-4/global/src/global.npatch.c -o global/src/global.npatch.o depbase=`echo global/src/global.periodic.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/global.periodic.lo -MD -MP -MF $depbase.Tpo -c -o global/src/global.periodic.lo ../ga-5-4/global/src/global.periodic.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/global.periodic.lo -MD -MP -MF global/src/.deps/global.periodic.Tpo -c ../ga-5-4/global/src/global.periodic.c -o global/src/global.periodic.o depbase=`echo global/src/global.util.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/global.util.lo -MD -MP -MF $depbase.Tpo -c -o global/src/global.util.lo ../ga-5-4/global/src/global.util.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/global.util.lo -MD -MP -MF global/src/.deps/global.util.Tpo -c ../ga-5-4/global/src/global.util.c -o global/src/global.util.o depbase=`echo global/src/hsort.scat.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/hsort.scat.lo -MD -MP -MF $depbase.Tpo -c -o global/src/hsort.scat.lo ../ga-5-4/global/src/hsort.scat.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/hsort.scat.lo -MD -MP -MF global/src/.deps/hsort.scat.Tpo -c ../ga-5-4/global/src/hsort.scat.c -o global/src/hsort.scat.o depbase=`echo global/src/matmul.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/matmul.lo -MD -MP -MF $depbase.Tpo -c -o global/src/matmul.lo ../ga-5-4/global/src/matmul.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/matmul.lo -MD -MP -MF global/src/.deps/matmul.Tpo -c ../ga-5-4/global/src/matmul.c -o global/src/matmul.o depbase=`echo global/src/matrix.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/matrix.lo -MD -MP -MF $depbase.Tpo -c -o global/src/matrix.lo ../ga-5-4/global/src/matrix.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/matrix.lo -MD -MP -MF global/src/.deps/matrix.Tpo -c ../ga-5-4/global/src/matrix.c -o global/src/matrix.o depbase=`echo global/src/nbutil.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/nbutil.lo -MD -MP -MF $depbase.Tpo -c -o global/src/nbutil.lo ../ga-5-4/global/src/nbutil.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/nbutil.lo -MD -MP -MF global/src/.deps/nbutil.Tpo -c ../ga-5-4/global/src/nbutil.c -o global/src/nbutil.o depbase=`echo global/src/onesided.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/onesided.lo -MD -MP -MF $depbase.Tpo -c -o global/src/onesided.lo ../ga-5-4/global/src/onesided.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/onesided.lo -MD -MP -MF global/src/.deps/onesided.Tpo -c ../ga-5-4/global/src/onesided.c -o global/src/onesided.o depbase=`echo global/src/peigstubs.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/peigstubs.lo -MD -MP -MF $depbase.Tpo -c -o global/src/peigstubs.lo ../ga-5-4/global/src/peigstubs.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/peigstubs.lo -MD -MP -MF global/src/.deps/peigstubs.Tpo -c ../ga-5-4/global/src/peigstubs.c -o global/src/peigstubs.o depbase=`echo global/src/sclstubs.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/sclstubs.lo -MD -MP -MF $depbase.Tpo -c -o global/src/sclstubs.lo ../ga-5-4/global/src/sclstubs.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/sclstubs.lo -MD -MP -MF global/src/.deps/sclstubs.Tpo -c ../ga-5-4/global/src/sclstubs.c -o global/src/sclstubs.o depbase=`echo global/src/select.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/select.lo -MD -MP -MF $depbase.Tpo -c -o global/src/select.lo ../ga-5-4/global/src/select.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/select.lo -MD -MP -MF global/src/.deps/select.Tpo -c ../ga-5-4/global/src/select.c -o global/src/select.o depbase=`echo global/src/sparse.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/sparse.lo -MD -MP -MF $depbase.Tpo -c -o global/src/sparse.lo ../ga-5-4/global/src/sparse.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/src/sparse.lo -MD -MP -MF global/src/.deps/sparse.Tpo -c ../ga-5-4/global/src/sparse.c -o global/src/sparse.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o global/src/complex.lo ../ga-5-4/global/src/complex.F libtool: compile: ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/global/src/complex.F -o global/src/complex.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o global/src/ga_diag_seq.lo ../ga-5-4/global/src/ga_diag_seq.F libtool: compile: ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/global/src/ga_diag_seq.F -o global/src/ga_diag_seq.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o global/src/rsg.lo ../ga-5-4/global/src/rsg.F libtool: compile: ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/global/src/rsg.F -o global/src/rsg.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o global/src/ga_diag.lo ../ga-5-4/global/src/ga_diag.F libtool: compile: ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/global/src/ga_diag.F -o global/src/ga_diag.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o global/src/scalapack.lo ../ga-5-4/global/src/scalapack.F libtool: compile: ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/global/src/scalapack.F -o global/src/scalapack.o depbase=`echo pario/dra/buffers.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/buffers.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/buffers.lo ../ga-5-4/pario/dra/buffers.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/buffers.lo -MD -MP -MF pario/dra/.deps/buffers.Tpo -c ../ga-5-4/pario/dra/buffers.c -o pario/dra/buffers.o depbase=`echo pario/dra/capi.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/capi.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/capi.lo ../ga-5-4/pario/dra/capi.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/capi.lo -MD -MP -MF pario/dra/.deps/capi.Tpo -c ../ga-5-4/pario/dra/capi.c -o pario/dra/capi.o depbase=`echo pario/dra/disk.arrays.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/disk.arrays.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/disk.arrays.lo ../ga-5-4/pario/dra/disk.arrays.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/disk.arrays.lo -MD -MP -MF pario/dra/.deps/disk.arrays.Tpo -c ../ga-5-4/pario/dra/disk.arrays.c -o pario/dra/disk.arrays.o depbase=`echo pario/dra/disk.param.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/disk.param.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/disk.param.lo ../ga-5-4/pario/dra/disk.param.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/disk.param.lo -MD -MP -MF pario/dra/.deps/disk.param.Tpo -c ../ga-5-4/pario/dra/disk.param.c -o pario/dra/disk.param.o depbase=`echo pario/dra/env.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/env.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/env.lo ../ga-5-4/pario/dra/env.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/env.lo -MD -MP -MF pario/dra/.deps/env.Tpo -c ../ga-5-4/pario/dra/env.c -o pario/dra/env.o depbase=`echo pario/dra/fortran.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/fortran.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/fortran.lo ../ga-5-4/pario/dra/fortran.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/fortran.lo -MD -MP -MF pario/dra/.deps/fortran.Tpo -c ../ga-5-4/pario/dra/fortran.c -o pario/dra/fortran.o depbase=`echo pario/dra/patch.util.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/patch.util.lo -MD -MP -MF $depbase.Tpo -c -o pario/dra/patch.util.lo ../ga-5-4/pario/dra/patch.util.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/dra/patch.util.lo -MD -MP -MF pario/dra/.deps/patch.util.Tpo -c ../ga-5-4/pario/dra/patch.util.c -o pario/dra/patch.util.o depbase=`echo pario/eaf/eaf.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/eaf/eaf.lo -MD -MP -MF $depbase.Tpo -c -o pario/eaf/eaf.lo ../ga-5-4/pario/eaf/eaf.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/eaf/eaf.lo -MD -MP -MF pario/eaf/.deps/eaf.Tpo -c ../ga-5-4/pario/eaf/eaf.c -o pario/eaf/eaf.o depbase=`echo pario/eaf/eaf_f2c.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/eaf/eaf_f2c.lo -MD -MP -MF $depbase.Tpo -c -o pario/eaf/eaf_f2c.lo ../ga-5-4/pario/eaf/eaf_f2c.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/eaf/eaf_f2c.lo -MD -MP -MF pario/eaf/.deps/eaf_f2c.Tpo -c ../ga-5-4/pario/eaf/eaf_f2c.c -o pario/eaf/eaf_f2c.o depbase=`echo pario/elio/elio.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/elio/elio.lo -MD -MP -MF $depbase.Tpo -c -o pario/elio/elio.lo ../ga-5-4/pario/elio/elio.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/elio/elio.lo -MD -MP -MF pario/elio/.deps/elio.Tpo -c ../ga-5-4/pario/elio/elio.c -o pario/elio/elio.o depbase=`echo pario/elio/stat.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/elio/stat.lo -MD -MP -MF $depbase.Tpo -c -o pario/elio/stat.lo ../ga-5-4/pario/elio/stat.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/elio/stat.lo -MD -MP -MF pario/elio/.deps/stat.Tpo -c ../ga-5-4/pario/elio/stat.c -o pario/elio/stat.o depbase=`echo pario/sf/sf_capi.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/sf/sf_capi.lo -MD -MP -MF $depbase.Tpo -c -o pario/sf/sf_capi.lo ../ga-5-4/pario/sf/sf_capi.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/sf/sf_capi.lo -MD -MP -MF pario/sf/.deps/sf_capi.Tpo -c ../ga-5-4/pario/sf/sf_capi.c -o pario/sf/sf_capi.o depbase=`echo pario/sf/sf_fortran.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/sf/sf_fortran.lo -MD -MP -MF $depbase.Tpo -c -o pario/sf/sf_fortran.lo ../ga-5-4/pario/sf/sf_fortran.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/sf/sf_fortran.lo -MD -MP -MF pario/sf/.deps/sf_fortran.Tpo -c ../ga-5-4/pario/sf/sf_fortran.c -o pario/sf/sf_fortran.o depbase=`echo pario/sf/shared.files.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/sf/shared.files.lo -MD -MP -MF $depbase.Tpo -c -o pario/sf/shared.files.lo ../ga-5-4/pario/sf/shared.files.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT pario/sf/shared.files.lo -MD -MP -MF pario/sf/.deps/shared.files.Tpo -c ../ga-5-4/pario/sf/shared.files.c -o pario/sf/shared.files.o depbase=`echo gaf2c/gaf2c.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT gaf2c/gaf2c.lo -MD -MP -MF $depbase.Tpo -c -o gaf2c/gaf2c.lo ../ga-5-4/gaf2c/gaf2c.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT gaf2c/gaf2c.lo -MD -MP -MF gaf2c/.deps/gaf2c.Tpo -c ../ga-5-4/gaf2c/gaf2c.c -o gaf2c/gaf2c.o depbase=`echo gaf2c/drand.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT gaf2c/drand.lo -MD -MP -MF $depbase.Tpo -c -o gaf2c/drand.lo ../ga-5-4/gaf2c/drand.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT gaf2c/drand.lo -MD -MP -MF gaf2c/.deps/drand.Tpo -c ../ga-5-4/gaf2c/drand.c -o gaf2c/drand.o /bin/sh ./libtool --tag=F77 --mode=compile ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c -o gaf2c/farg.lo ../ga-5-4/gaf2c/farg.F libtool: compile: ftn -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fdefault-integer-8 -fno-aggressive-loop-optimizations -c ../ga-5-4/gaf2c/farg.F -o gaf2c/farg.o depbase=`echo tcgmsg/capi.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/capi.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/capi.lo ../ga-5-4/tcgmsg/capi.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/capi.lo -MD -MP -MF tcgmsg/.deps/capi.Tpo -c ../ga-5-4/tcgmsg/capi.c -o tcgmsg/capi.o depbase=`echo tcgmsg/fapi.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/fapi.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/fapi.lo ../ga-5-4/tcgmsg/fapi.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/fapi.lo -MD -MP -MF tcgmsg/.deps/fapi.Tpo -c ../ga-5-4/tcgmsg/fapi.c -o tcgmsg/fapi.o depbase=`echo tcgmsg/tcgmsg-mpi/checkbyte.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/checkbyte.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/checkbyte.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/checkbyte.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/checkbyte.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/checkbyte.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/checkbyte.c -o tcgmsg/tcgmsg-mpi/checkbyte.o depbase=`echo tcgmsg/tcgmsg-mpi/clustercheck.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/clustercheck.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/clustercheck.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/clustercheck.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/clustercheck.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/clustercheck.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/clustercheck.c -o tcgmsg/tcgmsg-mpi/clustercheck.o depbase=`echo tcgmsg/tcgmsg-mpi/collect.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/collect.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/collect.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/collect.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/collect.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/collect.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/collect.c -o tcgmsg/tcgmsg-mpi/collect.o depbase=`echo tcgmsg/tcgmsg-mpi/drand48.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/drand48.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/drand48.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/drand48.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/drand48.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/drand48.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/drand48.c -o tcgmsg/tcgmsg-mpi/drand48.o depbase=`echo tcgmsg/tcgmsg-mpi/evlog.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/evlog.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/evlog.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/evlog.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/evlog.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/evlog.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/evlog.c -o tcgmsg/tcgmsg-mpi/evlog.o depbase=`echo tcgmsg/tcgmsg-mpi/evon.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/evon.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/evon.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/evon.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/evon.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/evon.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/evon.c -o tcgmsg/tcgmsg-mpi/evon.o depbase=`echo tcgmsg/tcgmsg-mpi/llog.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/llog.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/llog.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/llog.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/llog.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/llog.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/llog.c -o tcgmsg/tcgmsg-mpi/llog.o depbase=`echo tcgmsg/tcgmsg-mpi/misc.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/misc.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/misc.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/misc.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/misc.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/misc.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/misc.c -o tcgmsg/tcgmsg-mpi/misc.o depbase=`echo tcgmsg/tcgmsg-mpi/niceftn.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/niceftn.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/niceftn.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/niceftn.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/niceftn.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/niceftn.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/niceftn.c -o tcgmsg/tcgmsg-mpi/niceftn.o depbase=`echo tcgmsg/tcgmsg-mpi/nxtval-armci.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/nxtval-armci.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/nxtval-armci.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/nxtval-armci.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/nxtval-armci.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/nxtval-armci.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/nxtval-armci.c -o tcgmsg/tcgmsg-mpi/nxtval-armci.o depbase=`echo tcgmsg/tcgmsg-mpi/p2p.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/p2p.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/p2p.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/p2p.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/p2p.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/p2p.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/p2p.c -o tcgmsg/tcgmsg-mpi/p2p.o depbase=`echo tcgmsg/tcgmsg-mpi/pbeginf.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/pbeginf.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/pbeginf.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/pbeginf.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/pbeginf.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/pbeginf.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/pbeginf.c -o tcgmsg/tcgmsg-mpi/pbeginf.o depbase=`echo tcgmsg/tcgmsg-mpi/pfilecopy.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/pfilecopy.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/pfilecopy.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/pfilecopy.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/pfilecopy.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/pfilecopy.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/pfilecopy.c -o tcgmsg/tcgmsg-mpi/pfilecopy.o depbase=`echo tcgmsg/tcgmsg-mpi/sizeof.lo | sed 's|[^/]*$|.deps/&|;s|\.lo$||'`;\ /bin/sh ./libtool --tag=CC --mode=compile cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/sizeof.lo -MD -MP -MF $depbase.Tpo -c -o tcgmsg/tcgmsg-mpi/sizeof.lo ../ga-5-4/tcgmsg/tcgmsg-mpi/sizeof.c &&\ mv -f $depbase.Tpo $depbase.Plo libtool: compile: cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT tcgmsg/tcgmsg-mpi/sizeof.lo -MD -MP -MF tcgmsg/tcgmsg-mpi/.deps/sizeof.Tpo -c ../ga-5-4/tcgmsg/tcgmsg-mpi/sizeof.c -o tcgmsg/tcgmsg-mpi/sizeof.o /bin/sh ./libtool --tag=F77 --mode=link ftn -fdefault-integer-8 -fno-aggressive-loop-optimizations -o libga.la -rpath /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib compat/random.lo ma/error.lo ma/f2c.lo ma/ma.lo ma/string-util.lo ma/table.lo ma/maf.lo LinAlg/lapack+blas/gal_cgemm.lo LinAlg/lapack+blas/gal_daxpy.lo LinAlg/lapack+blas/gal_dcabs1.lo LinAlg/lapack+blas/gal_dcopy.lo LinAlg/lapack+blas/gal_ddot.lo LinAlg/lapack+blas/gal_dgemm.lo LinAlg/lapack+blas/gal_dgemv.lo LinAlg/lapack+blas/gal_dger.lo LinAlg/lapack+blas/gal_dgetf2.lo LinAlg/lapack+blas/gal_dgetrf.lo LinAlg/lapack+blas/gal_dgetrs.lo LinAlg/lapack+blas/gal_disnan.lo LinAlg/lapack+blas/gal_dlacpy.lo LinAlg/lapack+blas/gal_dlae2.lo LinAlg/lapack+blas/gal_dlaev2.lo LinAlg/lapack+blas/gal_dlaisnan.lo LinAlg/lapack+blas/gal_dlamch.lo LinAlg/lapack+blas/gal_dlanst.lo LinAlg/lapack+blas/gal_dlansy.lo LinAlg/lapack+blas/gal_dlapy2.lo LinAlg/lapack+blas/gal_dlarfb.lo LinAlg/lapack+blas/gal_dlarf.lo LinAlg/lapack+blas/gal_dlarfg.lo LinAlg/lapack+blas/gal_dlarft.lo LinAlg/lapack+blas/gal_dlartg.lo LinAlg/lapack+blas/gal_dlascl.lo LinAlg/lapack+blas/gal_dlaset.lo LinAlg/lapack+blas/gal_dlasr.lo LinAlg/lapack+blas/gal_dlasrt.lo LinAlg/lapack+blas/gal_dlassq.lo LinAlg/lapack+blas/gal_dlaswp.lo LinAlg/lapack+blas/gal_dlatrd.lo LinAlg/lapack+blas/gal_dnrm2.lo LinAlg/lapack+blas/gal_dorg2l.lo LinAlg/lapack+blas/gal_dorg2r.lo LinAlg/lapack+blas/gal_dorgql.lo LinAlg/lapack+blas/gal_dorgqr.lo LinAlg/lapack+blas/gal_dorgtr.lo LinAlg/lapack+blas/gal_dpotf2.lo LinAlg/lapack+blas/gal_dpotrf.lo LinAlg/lapack+blas/gal_dscal.lo LinAlg/lapack+blas/gal_dsteqr.lo LinAlg/lapack+blas/gal_dsterf.lo LinAlg/lapack+blas/gal_dswap.lo LinAlg/lapack+blas/gal_dsyev.lo LinAlg/lapack+blas/gal_dsygs2.lo LinAlg/lapack+blas/gal_dsygst.lo LinAlg/lapack+blas/gal_dsygv.lo LinAlg/lapack+blas/gal_dsymm.lo LinAlg/lapack+blas/gal_dsymv.lo LinAlg/lapack+blas/gal_dsyr2.lo LinAlg/lapack+blas/gal_dsyr2k.lo LinAlg/lapack+blas/gal_dsyrk.lo LinAlg/lapack+blas/gal_dsytd2.lo LinAlg/lapack+blas/gal_dsytrd.lo LinAlg/lapack+blas/gal_dtrmm.lo LinAlg/lapack+blas/gal_dtrmv.lo LinAlg/lapack+blas/gal_dtrsm.lo LinAlg/lapack+blas/gal_dtrsv.lo LinAlg/lapack+blas/gal_idamax.lo LinAlg/lapack+blas/gal_ieeeck.lo LinAlg/lapack+blas/gal_iladlc.lo LinAlg/lapack+blas/gal_iladlr.lo LinAlg/lapack+blas/gal_ilaenv.lo LinAlg/lapack+blas/gal_iparmq.lo LinAlg/lapack+blas/gal_lsame.lo LinAlg/lapack+blas/gal_sgemm.lo LinAlg/lapack+blas/gal_xerbla.lo LinAlg/lapack+blas/gal_zaxpy.lo LinAlg/lapack+blas/gal_zgemm.lo LinAlg/lapack+blas/xgemm.lo global/src/base.lo global/src/capi.lo global/src/collect.lo global/src/datatypes.lo global/src/decomp.lo global/src/DP.lo global/src/elem_alg.lo global/src/fapi.lo global/src/ga_diag_seqc.lo global/src/ga_malloc.lo global/src/ga_solve_seq.lo global/src/ga_symmetr.lo global/src/ga_trace.lo global/src/ghosts.lo global/src/global.nalg.lo global/src/global.npatch.lo global/src/global.periodic.lo global/src/global.util.lo global/src/hsort.scat.lo global/src/matmul.lo global/src/matrix.lo global/src/nbutil.lo global/src/onesided.lo global/src/peigstubs.lo global/src/sclstubs.lo global/src/select.lo global/src/sparse.lo global/src/complex.lo global/src/ga_diag_seq.lo global/src/rsg.lo global/src/ga_diag.lo global/src/scalapack.lo pario/dra/buffers.lo pario/dra/capi.lo pario/dra/disk.arrays.lo pario/dra/disk.param.lo pario/dra/env.lo pario/dra/fortran.lo pario/dra/patch.util.lo pario/eaf/eaf.lo pario/eaf/eaf_f2c.lo pario/elio/elio.lo pario/elio/stat.lo pario/sf/sf_capi.lo pario/sf/sf_fortran.lo pario/sf/shared.files.lo gaf2c/gaf2c.lo gaf2c/drand.lo gaf2c/farg.lo tcgmsg/capi.lo tcgmsg/fapi.lo tcgmsg/tcgmsg-mpi/checkbyte.lo tcgmsg/tcgmsg-mpi/clustercheck.lo tcgmsg/tcgmsg-mpi/collect.lo tcgmsg/tcgmsg-mpi/drand48.lo tcgmsg/tcgmsg-mpi/evlog.lo tcgmsg/tcgmsg-mpi/evon.lo tcgmsg/tcgmsg-mpi/llog.lo tcgmsg/tcgmsg-mpi/misc.lo tcgmsg/tcgmsg-mpi/niceftn.lo tcgmsg/tcgmsg-mpi/nxtval-armci.lo tcgmsg/tcgmsg-mpi/p2p.lo tcgmsg/tcgmsg-mpi/pbeginf.lo tcgmsg/tcgmsg-mpi/pfilecopy.lo tcgmsg/tcgmsg-mpi/sizeof.lo -lsci_gnu -lsci_gnu comex/libarmci.la copying selected object files to avoid basename conflicts... libtool: link: ln pario/dra/capi.o .libs/libga.lax/lt1-capi.o || cp pario/dra/capi.o .libs/libga.lax/lt1-capi.o libtool: link: ln tcgmsg/capi.o .libs/libga.lax/lt2-capi.o || cp tcgmsg/capi.o .libs/libga.lax/lt2-capi.o libtool: link: ln tcgmsg/fapi.o .libs/libga.lax/lt3-fapi.o || cp tcgmsg/fapi.o .libs/libga.lax/lt3-fapi.o libtool: link: ln tcgmsg/tcgmsg-mpi/collect.o .libs/libga.lax/lt4-collect.o || cp tcgmsg/tcgmsg-mpi/collect.o .libs/libga.lax/lt4-collect.o libtool: link: ar cru .libs/libga.a compat/random.o ma/error.o ma/f2c.o ma/ma.o ma/string-util.o ma/table.o ma/maf.o LinAlg/lapack+blas/gal_cgemm.o LinAlg/lapack+blas/gal_daxpy.o LinAlg/lapack+blas/gal_dcabs1.o LinAlg/lapack+blas/gal_dcopy.o LinAlg/lapack+blas/gal_ddot.o LinAlg/lapack+blas/gal_dgemm.o LinAlg/lapack+blas/gal_dgemv.o LinAlg/lapack+blas/gal_dger.o LinAlg/lapack+blas/gal_dgetf2.o LinAlg/lapack+blas/gal_dgetrf.o LinAlg/lapack+blas/gal_dgetrs.o LinAlg/lapack+blas/gal_disnan.o LinAlg/lapack+blas/gal_dlacpy.o LinAlg/lapack+blas/gal_dlae2.o LinAlg/lapack+blas/gal_dlaev2.o LinAlg/lapack+blas/gal_dlaisnan.o LinAlg/lapack+blas/gal_dlamch.o LinAlg/lapack+blas/gal_dlanst.o LinAlg/lapack+blas/gal_dlansy.o LinAlg/lapack+blas/gal_dlapy2.o LinAlg/lapack+blas/gal_dlarfb.o LinAlg/lapack+blas/gal_dlarf.o LinAlg/lapack+blas/gal_dlarfg.o LinAlg/lapack+blas/gal_dlarft.o LinAlg/lapack+blas/gal_dlartg.o LinAlg/lapack+blas/gal_dlascl.o LinAlg/lapack+blas/gal_dlaset.o LinAlg/lapack+blas/gal_dlasr.o LinAlg/lapack+blas/gal_dlasrt.o LinAlg/lapack+blas/gal_dlassq.o LinAlg/lapack+blas/gal_dlaswp.o LinAlg/lapack+blas/gal_dlatrd.o LinAlg/lapack+blas/gal_dnrm2.o LinAlg/lapack+blas/gal_dorg2l.o LinAlg/lapack+blas/gal_dorg2r.o LinAlg/lapack+blas/gal_dorgql.o LinAlg/lapack+blas/gal_dorgqr.o LinAlg/lapack+blas/gal_dorgtr.o LinAlg/lapack+blas/gal_dpotf2.o LinAlg/lapack+blas/gal_dpotrf.o LinAlg/lapack+blas/gal_dscal.o LinAlg/lapack+blas/gal_dsteqr.o LinAlg/lapack+blas/gal_dsterf.o LinAlg/lapack+blas/gal_dswap.o LinAlg/lapack+blas/gal_dsyev.o LinAlg/lapack+blas/gal_dsygs2.o LinAlg/lapack+blas/gal_dsygst.o LinAlg/lapack+blas/gal_dsygv.o LinAlg/lapack+blas/gal_dsymm.o LinAlg/lapack+blas/gal_dsymv.o LinAlg/lapack+blas/gal_dsyr2.o LinAlg/lapack+blas/gal_dsyr2k.o LinAlg/lapack+blas/gal_dsyrk.o LinAlg/lapack+blas/gal_dsytd2.o LinAlg/lapack+blas/gal_dsytrd.o LinAlg/lapack+blas/gal_dtrmm.o LinAlg/lapack+blas/gal_dtrmv.o LinAlg/lapack+blas/gal_dtrsm.o LinAlg/lapack+blas/gal_dtrsv.o LinAlg/lapack+blas/gal_idamax.o LinAlg/lapack+blas/gal_ieeeck.o LinAlg/lapack+blas/gal_iladlc.o LinAlg/lapack+blas/gal_iladlr.o LinAlg/lapack+blas/gal_ilaenv.o LinAlg/lapack+blas/gal_iparmq.o LinAlg/lapack+blas/gal_lsame.o LinAlg/lapack+blas/gal_sgemm.o LinAlg/lapack+blas/gal_xerbla.o LinAlg/lapack+blas/gal_zaxpy.o LinAlg/lapack+blas/gal_zgemm.o LinAlg/lapack+blas/xgemm.o global/src/base.o global/src/capi.o global/src/collect.o global/src/datatypes.o global/src/decomp.o global/src/DP.o global/src/elem_alg.o global/src/fapi.o global/src/ga_diag_seqc.o global/src/ga_malloc.o global/src/ga_solve_seq.o global/src/ga_symmetr.o global/src/ga_trace.o global/src/ghosts.o global/src/global.nalg.o global/src/global.npatch.o global/src/global.periodic.o global/src/global.util.o global/src/hsort.scat.o global/src/matmul.o global/src/matrix.o global/src/nbutil.o global/src/onesided.o global/src/peigstubs.o global/src/sclstubs.o global/src/select.o global/src/sparse.o global/src/complex.o global/src/ga_diag_seq.o global/src/rsg.o global/src/ga_diag.o global/src/scalapack.o pario/dra/buffers.o .libs/libga.lax/lt1-capi.o pario/dra/disk.arrays.o pario/dra/disk.param.o pario/dra/env.o pario/dra/fortran.o pario/dra/patch.util.o pario/eaf/eaf.o pario/eaf/eaf_f2c.o pario/elio/elio.o pario/elio/stat.o pario/sf/sf_capi.o pario/sf/sf_fortran.o pario/sf/shared.files.o gaf2c/gaf2c.o gaf2c/drand.o gaf2c/farg.o .libs/libga.lax/lt2-capi.o .libs/libga.lax/lt3-fapi.o tcgmsg/tcgmsg-mpi/checkbyte.o tcgmsg/tcgmsg-mpi/clustercheck.o .libs/libga.lax/lt4-collect.o tcgmsg/tcgmsg-mpi/drand48.o tcgmsg/tcgmsg-mpi/evlog.o tcgmsg/tcgmsg-mpi/evon.o tcgmsg/tcgmsg-mpi/llog.o tcgmsg/tcgmsg-mpi/misc.o tcgmsg/tcgmsg-mpi/niceftn.o tcgmsg/tcgmsg-mpi/nxtval-armci.o tcgmsg/tcgmsg-mpi/p2p.o tcgmsg/tcgmsg-mpi/pbeginf.o tcgmsg/tcgmsg-mpi/pfilecopy.o tcgmsg/tcgmsg-mpi/sizeof.o libtool: link: ranlib .libs/libga.a libtool: link: rm -fr .libs/libga.lax libtool: link: ( cd ".libs" && rm -f "libga.la" && ln -s "../libga.la" "libga.la" ) depbase=`echo global/trace/adjust.o | sed 's|[^/]*$|.deps/&|;s|\.o$||'`;\ cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/trace/adjust.o -MD -MP -MF $depbase.Tpo -c -o global/trace/adjust.o ../ga-5-4/global/trace/adjust.c &&\ mv -f $depbase.Tpo $depbase.Po /bin/sh ./libtool --tag=CC --mode=link cc -fno-aggressive-loop-optimizations -o global/trace/adjust.x global/trace/adjust.o libtool: link: cc -fno-aggressive-loop-optimizations -o global/trace/adjust.x global/trace/adjust.o depbase=`echo global/trace/collisions.o | sed 's|[^/]*$|.deps/&|;s|\.o$||'`;\ cc -DHAVE_CONFIG_H -I. -I../ga-5-4 -Ima -I../ga-5-4/ma -I../ga-5-4/LinAlg/lapack+blas -Iglobal/src -I../ga-5-4/global/src -I../ga-5-4/global/testing -I../ga-5-4/pario/dra -I../ga-5-4/pario/eaf -I../ga-5-4/pario/elio -I../ga-5-4/pario/sf -Igaf2c -I../ga-5-4/gaf2c -I../ga-5-4/tcgmsg -I../ga-5-4/tcgmsg/tcgmsg-mpi -I../ga-5-4/armci/src/include -I../ga-5-4/armci/tcgmsg -fno-aggressive-loop-optimizations -MT global/trace/collisions.o -MD -MP -MF $depbase.Tpo -c -o global/trace/collisions.o ../ga-5-4/global/trace/collisions.c &&\ mv -f $depbase.Tpo $depbase.Po /bin/sh ./libtool --tag=CC --mode=link cc -fno-aggressive-loop-optimizations -o global/trace/collisions.x global/trace/collisions.o libtool: link: cc -fno-aggressive-loop-optimizations -o global/trace/collisions.x global/trace/collisions.o make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' *** Installing Parallel Tools **** make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' make install-recursive make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' Making install in comex make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/comex' make install-am make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/comex' make[6]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/comex' /bin/mkdir -p '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib' /bin/sh ./libtool --mode=install /usr/bin/install -c libcomex.la libarmci.la '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib' libtool: install: /usr/bin/install -c .libs/libcomex.lai /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib/libcomex.la libtool: install: /usr/bin/install -c .libs/libarmci.lai /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib/libarmci.la libtool: install: /usr/bin/install -c .libs/libcomex.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib/libcomex.a libtool: install: chmod 644 /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib/libcomex.a libtool: install: ranlib /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib/libcomex.a libtool: install: /usr/bin/install -c .libs/libarmci.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib/libarmci.a libtool: install: chmod 644 /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib/libarmci.a libtool: install: ranlib /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib/libarmci.a libtool: finish: PATH="/opt/cray/papi/5.4.1.3/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/xe/darshan/3.1.3/darshan-3.1.3/bin:/sw/EasyBuild/software/gnuplot/5.0.5/bin:/sw/admin/scripts:/sw/user/scripts:/opt/xalt/0.7.6/sles11.3/libexec:/opt/xalt/0.7.6/sles11.3/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/9.0.2t7/sbin:/opt/torque/6.0.4/sbin:/opt/torque/6.0.4/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/craype/2.5.1/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1280.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t7/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:/sbin" ldconfig -n /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib ---------------------------------------------------------------------- Libraries have been installed in: /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib If you ever happen to want to link against installed libraries in a given directory, LIBDIR, you must either use libtool, and specify the full pathname of the library, or use the `-LLIBDIR' flag during linking and do at least one of the following: - add LIBDIR to the `LD_LIBRARY_PATH' environment variable during execution - add LIBDIR to the `LD_RUN_PATH' environment variable during linking - use the `-Wl,-rpath -Wl,LIBDIR' linker flag - have your system administrator add LIBDIR to `/etc/ld.so.conf' See any operating system documentation about shared libraries for more information, such as the ld(1) and ld.so(8) manual pages. ---------------------------------------------------------------------- /bin/mkdir -p '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include' /usr/bin/install -c -m 644 ../../ga-5-4/comex/src-common/comex.h ../../ga-5-4/comex/src-armci/armci.h ../../ga-5-4/comex/src-armci/message.h ../../ga-5-4/comex/src-armci/parmci.h '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include' make[6]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/comex' make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/comex' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build/comex' Making install in . make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' /bin/mkdir -p '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib' /bin/sh ./libtool --mode=install /usr/bin/install -c libga.la '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib' libtool: install: /usr/bin/install -c .libs/libga.lai /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib/libga.la libtool: install: /usr/bin/install -c .libs/libga.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib/libga.a libtool: install: chmod 644 /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib/libga.a libtool: install: ranlib /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib/libga.a libtool: finish: PATH="/opt/cray/papi/5.4.1.3/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/xe/darshan/3.1.3/darshan-3.1.3/bin:/sw/EasyBuild/software/gnuplot/5.0.5/bin:/sw/admin/scripts:/sw/user/scripts:/opt/xalt/0.7.6/sles11.3/libexec:/opt/xalt/0.7.6/sles11.3/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/9.0.2t7/sbin:/opt/torque/6.0.4/sbin:/opt/torque/6.0.4/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/craype/2.5.1/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1280.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t7/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:/sbin" ldconfig -n /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib ---------------------------------------------------------------------- Libraries have been installed in: /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib If you ever happen to want to link against installed libraries in a given directory, LIBDIR, you must either use libtool, and specify the full pathname of the library, or use the `-LLIBDIR' flag during linking and do at least one of the following: - add LIBDIR to the `LD_LIBRARY_PATH' environment variable during execution - add LIBDIR to the `LD_RUN_PATH' environment variable during linking - use the `-Wl,-rpath -Wl,LIBDIR' linker flag - have your system administrator add LIBDIR to `/etc/ld.so.conf' See any operating system documentation about shared libraries for more information, such as the ld(1) and ld.so(8) manual pages. ---------------------------------------------------------------------- /bin/mkdir -p '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/bin' /bin/sh ./libtool --mode=install /usr/bin/install -c global/trace/adjust.x global/trace/collisions.x '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/bin' libtool: install: /usr/bin/install -c global/trace/adjust.x /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/bin/adjust.x libtool: install: /usr/bin/install -c global/trace/collisions.x /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/bin/collisions.x /bin/mkdir -p '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/bin' /usr/bin/install -c tools/ga-config '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/bin' /bin/mkdir -p '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include' /usr/bin/install -c -m 644 ../ga-5-4/ma/error.h ../ga-5-4/ma/macdecls.h ../ga-5-4/ma/macommon.h ../ga-5-4/ma/maf2c.fh ma/mafdecls.fh ma/matypes.h ../ga-5-4/ma/scope.h ../ga-5-4/ma/string-util.h ../ga-5-4/ma/table.h ../ga-5-4/global/src/gacommon.h ../ga-5-4/global/src/ga.h global/src/global.fh ../ga-5-4/global/src/ga-papi.h ../ga-5-4/global/src/ga-mpi.h ../ga-5-4/global/src/ga-mpi.fh ../ga-5-4/pario/dra/dra.fh ../ga-5-4/pario/dra/dra.h ../ga-5-4/pario/eaf/eaf.fh ../ga-5-4/pario/eaf/eaf.h ../ga-5-4/pario/elio/chemio.h ../ga-5-4/pario/elio/elio.h ../ga-5-4/pario/sf/coms.h ../ga-5-4/pario/sf/sf.fh ../ga-5-4/pario/sf/sf.h gaf2c/typesf2c.h gaf2c/farg.h ../ga-5-4/tcgmsg/tcgmsg.fh ../ga-5-4/tcgmsg/tcgmsg.h ../ga-5-4/tcgmsg/tcgmsg-mpi/msgtypesc.h ../ga-5-4/tcgmsg/tcgmsg-mpi/msgtypesf.h '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include' /bin/mkdir -p '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include' /usr/bin/install -c -m 644 global/src/ga-wapi.h '/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include' make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/build' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools' Making libraries in include make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include' for dir in tools include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons blas lapack NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib hessian mp2_grad property solvation nwpw fft 64to32blas; do \ echo Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/$dir ; \ (cd /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/$dir; make include_stamp) ; \ done Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools make[2]: *** No rule to make target `include_stamp'. Stop. make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include' Nothing to be done make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/basis make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/basis' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/basis' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/basis' cp -p bas.fh basP.fh bas_staticP.fh basdeclsP.fh geobasmapP.fh bas_exndcf.fh bas_exndcf_dec.fh bas_exndcf_sfn.fh bas_ibs.fh bas_ibs_dec.fh bas_ibs_sfn.fh ../NWints/rel/rel_nwc.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/basis' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' cp -p geom.fh geomP.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' cp -p inp.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/input make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/input' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/input' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/input' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/input' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/pstat make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/pstat' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/pstat' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/pstat' cp -p pstat.fh pstat_consts.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/pstat' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' Making include_stamp in hdbm make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' cp -p hdbm.h /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' cp -p context.h rtdb.h rtdb.fh context.fh rtdb.cray.h /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/task make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/task' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/task' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/task' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/task' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' cp -p sym.fh ../NWints/auxil/spcartP.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' Making include_stamp in md5 make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util/md5' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util/md5' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util/md5' cp -p checksum.h /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util/md5' cp -p util.fh itri.fh msgids.fh numerical_constants.fh stdio.fh printlevels.fh bitops.fh bitops_decls.fh bitops_funcs.fh bgj.fh bgj_common.fh nwc_const.fh errquit.fh util_sgroup.fh util_params.fh utilc_nwchem_srcdir.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' cp -p dist.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/bq make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/bq' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/bq' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/bq' cp -p bq.fh bq_params.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/bq' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cons make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cons' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cons' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cons' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cons' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints' Making include_stamp in api make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' cp -p int_tim.fh apiP.fh int_nbf.fh ../../property/prop.fh candoP.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' Making include_stamp in int make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' cp -p sh_order.fh case.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' Making include_stamp in auxil make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' cp -p spcartP.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' Making include_stamp in ints_sp make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' Making include_stamp in deriv make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' cp -p ../int/sh_order.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' Making include_stamp in texas make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' cp -p screened_op.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' Making include_stamp in ecp make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' cp -p ecp_nwc.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' Making include_stamp in hondo make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' cp -p hnd_whermt.fh hnd_rys.fh hnd_tol.fh hnd_pointers.fh hnd_giao.fh hnd_wleg.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' Making include_stamp in rel make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' cp -p rel_consts.fh rel_nwc.fh zora.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' Making include_stamp in dk make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' cp -p api/int_tim.fh api/apiP.fh api/int_nbf.fh auxil/spcartP.fh hondo/hnd_whermt.fh hondo/hnd_rys.fh hondo/hnd_tol.fh ../property/prop.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' Making include_stamp in fast make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' cp -p schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cint2esave.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' cp -p moints_stats.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I./include -I./grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft' Making include_stamp in include make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/include' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/include' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/include' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/include' Making include_stamp in input_dft make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/input_dft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/input_dft' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/input_dft' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/input_dft' Making include_stamp in scf_dft make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' cp -p dftps.fh dft_fdist.fh dft_conv.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' Making include_stamp in scf_dft_cg make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft_cg' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft_cg' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft_cg' cp -p ../../ddscf/cosmo.fh ../../ddscf/frozemb.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft_cg' Making include_stamp in so_dft make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/so_dft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/so_dft' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/so_dft' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/so_dft' Making include_stamp in coulomb make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' Making include_stamp in xc make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' cp -p xc.fh xc_vdw.fh xc_params.fh xc_hcth.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' Making include_stamp in util make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' Making include_stamp in grid make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' Making include_stamp in dftgrad make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' Making include_stamp in lr_tddft make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft' Making include_stamp in lr_tddft_grad make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft_grad' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft_grad' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft_grad' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft_grad' Making include_stamp in zora make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' Making include_stamp in spec make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' Making include_stamp in rt_tddft make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft' Making include_stamp in matutils make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/matutils' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/matutils' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/matutils' cp -p matutils.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/matutils' Making include_stamp in rtutils make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/rtutils' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/rtutils' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/rtutils' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/rtutils' Making include_stamp in input make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/input' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/input' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/input' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/input' Making include_stamp in init make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/init' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/init' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/init' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/init' Making include_stamp in canorg make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/canorg' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/canorg' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/canorg' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/canorg' Making include_stamp in propagators make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/propagators' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/propagators' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/propagators' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/propagators' Making include_stamp in closedshell make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/closedshell' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/closedshell' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/closedshell' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/closedshell' Making include_stamp in openshell make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/openshell' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/openshell' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/openshell' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/openshell' cp -p ./headers/rt_tddft.fh ./headers/matutils.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft' cp -p ../ddscf/cosmo.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2 make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim' Making include_stamp in deloc make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' Making include_stamp in mepgs make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' Making include_stamp in tropt make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' Making include_stamp in neb make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' Making include_stamp in string make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cphf make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cphf' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cphf' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cphf' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cphf' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian' Making include_stamp in analytic make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' Making include_stamp in dft make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../../nwdft/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' cp -p hess_info.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' cp -p prop.fh atomdata.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' cp -p ../property/prop.fh ../property/atomdata.fh cosmoP.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw' Making include_stamp in nwpwlib make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib' Making include_stamp in Parallel make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' cp -p stupid_mpi4.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' Making include_stamp in D1dB make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' Making include_stamp in D3dB make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' Making include_stamp in Pneb make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' Making include_stamp in K1dB make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' Making include_stamp in C3dB make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' Making include_stamp in DMatrix make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' Making include_stamp in CMatrix make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' Making include_stamp in control make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' Making include_stamp in lattice make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' Making include_stamp in io make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' Making include_stamp in ion make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' Making include_stamp in shake make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' Making include_stamp in grimme_sh make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' Making include_stamp in pseudopotential make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' Making include_stamp in paw_atom make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' Making include_stamp in utilities make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' Making include_stamp in paw_utilities make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' cp -p bafdecls.fh btdb.fh beom.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' Making include_stamp in unitcell make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' Making include_stamp in brillouin_zone make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' Making include_stamp in fractional make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' cp -p frac_occ.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' Making include_stamp in linesearch make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' Making include_stamp in timing make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' Making include_stamp in ewald make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' Making include_stamp in thermostats make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' Making include_stamp in MetaDynamics make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' Making include_stamp in TAMD make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' Making include_stamp in FMM make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' Making include_stamp in md_xs make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' Making include_stamp in FEFF6L make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib' Making include_stamp in libraryps make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' Making include_stamp in pspw make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw' Making include_stamp in lib make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib' Making include_stamp in psi make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' Making include_stamp in electron make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' Making include_stamp in ke make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' Making include_stamp in coulomb make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' Making include_stamp in exchange-correlation make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' Making include_stamp in sic make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' Making include_stamp in hfx make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' Making include_stamp in ion make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' Making include_stamp in psp make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' Making include_stamp in Grsm_list make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' Making include_stamp in aorbs make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' Making include_stamp in truncating_function make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib' Making include_stamp in kbpp make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' Making include_stamp in makepsi make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' Making include_stamp in cpsd make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' Making include_stamp in cgsd make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' Making include_stamp in analysis make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' Making include_stamp in APC make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' Making include_stamp in cell_optimize make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' Making include_stamp in qmmm make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' Making include_stamp in pspw_LJ make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' Making include_stamp in pspw_Q make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' Making include_stamp in pspw_Pair make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' Making include_stamp in mmq make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' Making include_stamp in charge make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' Making include_stamp in dplot make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' Making include_stamp in lcao make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw' Making include_stamp in paw make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw' Making include_stamp in paw_geometry make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_geometry' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_geometry' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_geometry' cp -p paw_geom.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_geometry' Making include_stamp in paw_ma make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' cp -p paw_ma.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' Making include_stamp in paw_utils make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' cp -p bessel_transform.fh integrate.fh paw_utils.fh paw_params.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' Making include_stamp in paw_basis make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' cp -p paw_basis.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' Making include_stamp in paw_proj make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' cp -p paw_proj.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' Making include_stamp in paw_matrix make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' cp -p paw_comp_charge_matrix.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' Making include_stamp in paw_ovlp make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' cp -p paw_ovlp_data.fh paw_ovlp.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' Making include_stamp in paw_comp_charge make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' cp -p paw_comp_charge_data.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' Making include_stamp in paw_special_functions make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' cp -p paw_spher_func.fh paw_gamma_function.fh paw_hypergeom.fh paw_double_factorial.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' Making include_stamp in paw_gaunt make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' cp -p paw_gaunt.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' Making include_stamp in paw_kinetic make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' cp -p paw_energy_kin_atom.fh paw_matrix_kin_data.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' Making include_stamp in paw_vloc make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' cp -p paw_energy_vloc_atom.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' Making include_stamp in paw_ion_potential make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' cp -p paw_energy_ion_atom.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' Making include_stamp in paw_core make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' cp -p paw_energy_core_atom.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' Making include_stamp in paw_hartree make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' cp -p paw_energy_hartree_atom.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' Making include_stamp in paw_comp_pot make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' cp -p paw_matrix_comp_pot.fh paw_pot_comp_data.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' Making include_stamp in paw_mult make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' cp -p paw_mult_data.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' Making include_stamp in paw_nonlocal make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' Making include_stamp in paw_density make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' Making include_stamp in paw_xc make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' cp -p paw_xc.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' Making include_stamp in paw_force make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' cp -p paw_force_data.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' Making include_stamp in paw_Grsm_list make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' Making include_stamp in paw_psi make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' Making include_stamp in cpsd make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' Making include_stamp in cgsd make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' Making include_stamp in cell_optimize make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw' Making include_stamp in band make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' Making include_stamp in minimizer make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' Making include_stamp in structure make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' Making include_stamp in cpsd make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' Making include_stamp in cell_optimize make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' Making include_stamp in kbpp make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' Making include_stamp in makepsi make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' Making include_stamp in lib make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib' Making include_stamp in cpsp make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' Making include_stamp in ke make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' Making include_stamp in coulomb make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' Making include_stamp in electron make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' Making include_stamp in psi make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' Making include_stamp in hfx make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' Making include_stamp in Grsm_list make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' Making include_stamp in borbs make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib' Making include_stamp in dplot make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' Making include_stamp in analysis make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' Making include_stamp in ofpw make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' Making include_stamp in minimizer make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' Making include_stamp in cpsd make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' Making include_stamp in lib make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib' Making include_stamp in chi make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' Making include_stamp in electron make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' Making include_stamp in ke make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke' Making include_stamp in WGC make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' touch include_stamp make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' cp -p ../nwxc/nwxc.fh /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft' Making include_stamp in pfft1.0 make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0' Making include_stamp in fftpack make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' Making include_stamp in pfft make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' touch include_stamp make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0' Making include_stamp in pfftwrap make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' touch include_stamp make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft' Making include_stamp in /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' touch include_stamp make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include' Making libraries in basis make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/basis' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG basis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_contrib.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_checksum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG basisP.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_blas.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_blasP.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_vec_info.F make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/basis' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/basis' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/basis' Making libraries in geom make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_input2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_3d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_2d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_1d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_numcore.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_checksum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_print_ecce.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_freeze.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_fragment.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_getsym.F make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geom_hnd.F geom_hnd.F:4788:0: note: loop vectorized geom_hnd.F:4788:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:4788:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4763:0: note: loop vectorized geom_hnd.F:4763:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4714:0: note: loop vectorized geom_hnd.F:4714:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:4714:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4656:0: note: loop vectorized geom_hnd.F:4656:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4646:0: note: loop vectorized geom_hnd.F:4646:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:5212:0: note: basic block vectorized geom_hnd.F:2890:0: note: loop vectorized geom_hnd.F:2890:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:2623:0: note: loop vectorized geom_hnd.F:5212:0: note: basic block vectorized geom_hnd.F:5212:0: note: basic block vectorized geom_hnd.F:5212:0: note: basic block vectorized geom_hnd.F:5212:0: note: basic block vectorized geom_hnd.F:5212:0: note: basic block vectorized geom_hnd.F:5212:0: note: basic block vectorized geom_hnd.F:2867:0: note: basic block vectorized geom_hnd.F:2874:0: note: basic block vectorized geom_hnd.F:2488:0: note: loop vectorized geom_hnd.F:2488:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:2334:0: note: loop vectorized geom_hnd.F:2225:0: note: loop vectorized geom_hnd.F:2225:0: note: loop vectorized geom_hnd.F:362:0: note: loop vectorized geom_hnd.F:362:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:1024:0: note: loop vectorized geom_hnd.F:997:0: note: loop vectorized geom_hnd.F:922:0: note: loop vectorized geom_hnd.F:922:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:908:0: note: loop vectorized geom_hnd.F:908:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:881:0: note: loop vectorized geom_hnd.F:869:0: note: loop vectorized geom_hnd.F:805:0: note: loop vectorized geom_hnd.F:789:0: note: loop vectorized geom_hnd.F:789:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:777:0: note: loop vectorized geom_hnd.F:763:0: note: loop vectorized geom_hnd.F:753:0: note: loop vectorized geom_hnd.F:678:0: note: loop vectorized geom_hnd.F:658:0: note: loop vectorized geom_hnd.F:658:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:641:0: note: loop vectorized geom_hnd.F:621:0: note: loop vectorized geom_hnd.F:610:0: note: loop vectorized geom_hnd.F:560:0: note: loop vectorized geom_hnd.F:552:0: note: loop vectorized geom_hnd.F:552:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:543:0: note: loop vectorized geom_hnd.F:535:0: note: loop vectorized geom_hnd.F:501:0: note: loop vectorized geom_hnd.F:501:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:498:0: note: loop vectorized geom_hnd.F:1607:0: note: loop vectorized geom_hnd.F:1529:0: note: loop vectorized geom_hnd.F:1273:0: note: loop vectorized geom_hnd.F:1269:0: note: loop vectorized geom_hnd.F:4515:0: note: loop vectorized geom_hnd.F:4515:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4788:0: note: loop vectorized geom_hnd.F:4788:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:4788:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4763:0: note: loop vectorized geom_hnd.F:4763:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:4763:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4714:0: note: loop vectorized geom_hnd.F:4714:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:4714:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4656:0: note: loop vectorized geom_hnd.F:4656:0: note: loop versioned for vectorization because of possible aliasing geom_hnd.F:4656:0: note: loop peeled for vectorization to enhance alignment geom_hnd.F:4646:0: note: loop vectorized geom_hnd.F:4646:0: note: loop peeled for vectorization to enhance alignment make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/geom' Making libraries in inp make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o c_inp.o c_inp.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_rdfree.F inp.F:27.19: data xback /'\\'/ ! Backslash ... note backslash for cpp 1 Warning: Initialization string starting at (1) was truncated to fit the variable (1/2) inp.F:392:0: note: loop vectorized make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG inp_irange.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG inp_ilist.F make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/inp' Making libraries in input make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/input' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG input_parse.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG input_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG memory_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG input_set.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG input_title.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_inp_file.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG memory_def.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG speech_input.F make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/input' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwctask.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwctask.a input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwctask.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwctask.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwctask.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/input' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/input' Making libraries in pstat make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/pstat' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_term.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_alloc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_on.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_off.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_pr_all.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_free.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_pr_han.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pstat_pr_det.F make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/pstat' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/pstat' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/pstat' Making libraries in rtdb make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_HDBM -O3 -funroll-loops -ffast-math -O1 -o rtdb_f2c.o rtdb_f2c.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_HDBM -O3 -funroll-loops -ffast-math -O1 -o rtdb.o rtdb.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_HDBM -O3 -funroll-loops -ffast-math -O1 -o rtdb_seq.o rtdb_seq.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_HDBM -O3 -funroll-loops -ffast-math -O1 -o context.o context.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_HDBM -O3 -funroll-loops -ffast-math -O1 -o context_f2c.o context_f2c.c make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' Making all in hdbm make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o hdbm.o hdbm.c make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a hdbm.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb/hdbm' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rtdb' Making libraries in task make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/task' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_optimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_freq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_hessian.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_dynamics.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_thermo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_et.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_save_state.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_shell_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_num_grad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_vscf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_property.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_dntmc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_bsse.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_jefftce.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_ncc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_rfcf.F make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/task' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwctask.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwctask.a task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwctask.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwctask.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/task' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/task' Making libraries in symmetry make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dosymops.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O gensym.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG gensym_extra.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_vec_sym.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ludcmp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O mprint.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O opprint.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_put_geom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG spgen.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_map.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_nwc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_apply_op.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_get_cart.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_grp_name.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_ap_cart.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_cent_map.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_num_ops.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_ops_get.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_pr_all.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_geom_prj.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cross_prod.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_op_cname.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_pr_ops.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG deter3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_op_clsfy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_tr_bs_op.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_bs_irrep.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_op_type.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_char_tab.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_pr_ctab.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_inv_op.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_mo_adapt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_g_sym.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wrcell.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O dctr.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_irrepname.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_abelian.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_mol.F sym_sym.F:319:0: note: loop vectorized sym_sym.F:319:0: note: loop peeled for vectorization to enhance alignment sym_sym.F:349:0: note: loop vectorized sym_sym.F:349:0: note: loop peeled for vectorization to enhance alignment make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_sym.F sym_mo_ap_op.F:126:0: note: loop vectorized sym_mo_ap_op.F:126:0: note: loop peeled for vectorization to enhance alignment sym_mo_ap_op.F:84:0: note: loop vectorized sym_mo_ap_op.F:84:0: note: loop peeled for vectorization to enhance alignment sym_mo_ap_op.F:126:0: note: loop vectorized sym_mo_ap_op.F:126:0: note: loop peeled for vectorization to enhance alignment sym_bas_op.F:257:0: note: loop vectorized sym_bas_op.F:257:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_mo_ap_op.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_bas_op.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_bs_ir_id.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sym_sh_pair.F make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/symmetry' Making libraries in util make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O output.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING errquit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ffflush.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING print_center.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_flush.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_sgroup.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_host.o util_host.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_date.o util_date.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING input_echo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_transpose.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_iter_diag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_maxelt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING nga_idamax.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_pcg_min.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING line_search.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_orth_vec.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_ran_fill.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_mix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_it_proj.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_screen.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_get_diag.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o fortchar.o fortchar.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING seq_output.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_mat2col.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_ch_brd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING two_ind_trn.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_pname.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING sread.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING swrite.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O banner.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_print.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_module_avail.F cp util_v_stub.F util_version.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_version.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_nwchem_version.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_ga_version.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_nwchem_paper.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_nwchem_srcdir.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o utilc_nwchem_srcdir.o utilc_nwchem_srcdir.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING mk_fit_xf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING int_2c_ga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_local_mdot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_cpusec.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_wallsec.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O gather.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O scatter.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_trace_dg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O lcopy.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_legal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_file_name.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_io_unit.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_speak.o util_speak.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_rtdb_speak.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_file_copy.o util_file_copy.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_file_unlink.o util_file_unlink.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_system.o util_system.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_sleep.o util_sleep.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_rtdb_state.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o ecce_print.o ecce_print.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_random.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_job.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_getenv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_getarg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_nwchemrc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_md.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_md_c.o util_md_c.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_md_sockets.o util_md_sockets.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING dgewr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING atoi.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING indint.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_wall_remain.o util_wall_remain.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_normf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING corr_mk_ref.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING nw_inp_from_file.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING bgj.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING movecs_ecce.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING get_density.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING moeig_read.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_debug.o util_debug.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_erf.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_cflush.o util_cflush.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_ascii_plot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_length_scale.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_it2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_lkain_ext.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ma_print.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING freeze_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_extra.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_test.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_ga_test.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util.o util.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_patch_test.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_ndim_test.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_perf_test.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_test_lu.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_test_eig.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_dra_test.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_eaf_test.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_sf_test.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_lkain_2cpl3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_io.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_xyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_ma.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_mpinap.o util_mpinap.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_lkain_2cpl3_ext.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_dgeev.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_nwsort.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_mygabcast.o util_mygabcast.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_getppn.o util_getppn.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_units.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_intrsc2008.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o util_fadvise.o util_fadvise.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o linux_cpu.o linux_cpu.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING linux_shift.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o linux_random.o linux_random.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o erfc.o erfc.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o linux_printaff.o linux_printaff.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -g -o linux_setfpucw.o linux_setfpucw.c make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/depend.x -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include > dependencies make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' util_pack.F:40:0: note: loop vectorized util_pack.F:40:0: note: loop peeled for vectorization to enhance alignment util_pack.F:100:0: note: loop vectorized util_pack.F:100:0: note: loop peeled for vectorization to enhance alignment dabssum.F:9:0: note: loop vectorized dabssum.F:9:0: note: loop peeled for vectorization to enhance alignment make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_matpow.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_pack.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING dabssum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING dabsmax.F ifill.f:9:0: note: loop vectorized ifill.f:9:0: note: loop peeled for vectorization to enhance alignment ga_it_lsolve.F: In function 'ga_iter_lsolve': ga_it_lsolve.F:235:0: warning: 'rnorm_prev' may be used uninitialized in this function [-Wmaybe-uninitialized] convg_ratio = rnorm/rnorm_prev ^ ga_it_lsolve.F:77:0: note: 'rnorm_prev' was declared here double precision rnorm, rnorm_prev, bnorm, convg_ratio ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec dfill.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ifill.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING mabyte_fill.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_it_lsolve.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_it_orth.F ga_orthog.F:176:0: note: loop vectorized ga_orthog.F:176:0: note: loop peeled for vectorization to enhance alignment ga_orthog.F:151:0: note: loop vectorized ga_orthog.F:151:0: note: loop peeled for vectorization to enhance alignment util_jacobi.F:57:0: note: loop vectorized util_jacobi.F:57:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_orthog.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec idamin.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_jacobi.F util_rsg.f:244:0: note: loop vectorized util_rsg.f:244:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:588:0: note: loop vectorized util_rsg.f:588:0: note: loop versioned for vectorization because of possible aliasing util_rsg.f:588:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:557:0: note: loop vectorized util_rsg.f:557:0: note: loop versioned for vectorization because of possible aliasing util_rsg.f:557:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:531:0: note: loop vectorized util_rsg.f:531:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:883:0: note: loop vectorized util_rsg.f:883:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:880:0: note: loop vectorized util_rsg.f:880:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:874:0: note: loop vectorized util_rsg.f:874:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:857:0: note: loop vectorized util_rsg.f:857:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:850:0: note: loop vectorized util_rsg.f:850:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:843:0: note: loop vectorized util_rsg.f:843:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:833:0: note: loop vectorized util_rsg.f:833:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:812:0: note: loop vectorized util_rsg.f:812:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:798:0: note: loop vectorized util_rsg.f:798:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:119:0: note: loop vectorized util_rsg.f:119:0: note: loop peeled for vectorization to enhance alignment util_rsg.f: In function 'tqlrat': util_rsg.f:146:0: warning: 'c' may be used uninitialized in this function [-Wmaybe-uninitialized] if (dabs(e2(l)) .le. dabs(c/h)) go to 210 ^ util_rsg.f:42:0: warning: 'b' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag ^ util_rsg.f:721:0: note: loop vectorized util_rsg.f:721:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:714:0: note: loop vectorized util_rsg.f:714:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:707:0: note: loop vectorized util_rsg.f:707:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:697:0: note: loop vectorized util_rsg.f:697:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:675:0: note: loop vectorized util_rsg.f:675:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:660:0: note: loop vectorized util_rsg.f:660:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec util_rsg.f util_rsg.f:351:0: note: loop vectorized util_rsg.f:351:0: note: loop peeled for vectorization to enhance alignment util_rsg.f:356:0: note: loop vectorized util_rsg.f:337:0: note: loop vectorized util_rsg.f:317:0: note: loop vectorized util_rsg.f: In function 'reduc': util_rsg.f:325:0: warning: 'y' may be used uninitialized in this function [-Wmaybe-uninitialized] 60 b(j,i) = x / y ^ util_rsg.f:244:0: note: loop vectorized util_rsg.f:244:0: note: loop peeled for vectorization to enhance alignment stpr_sjacobi.F:228:0: note: loop vectorized stpr_sjacobi.F:228:0: note: loop versioned for vectorization because of possible aliasing stpr_sjacobi.F:228:0: note: loop peeled for vectorization to enhance alignment stpr_sjacobi.F:194:0: note: loop vectorized stpr_sjacobi.F:194:0: note: loop peeled for vectorization to enhance alignment stpr_sjacobi.F:177:0: note: loop vectorized stpr_sjacobi.F:177:0: note: loop versioned for vectorization because of possible aliasing stpr_sjacobi.F:177:0: note: loop peeled for vectorization to enhance alignment stpr_sjacobi.F:148:0: note: loop vectorized stpr_sjacobi.F:148:0: note: loop versioned for vectorization because of possible aliasing stpr_sjacobi.F:148:0: note: loop peeled for vectorization to enhance alignment stpr_sjacobi.F:79:0: note: loop vectorized stpr_sjacobi.F:79:0: note: loop peeled for vectorization to enhance alignment stpr_sjacobi.F:64:0: note: loop vectorized stpr_sjacobi.F:64:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING stpr_sjacobi.F nxtask.F: In function 'nxtask': nxtask.F:131:0: warning: '__result_nxtask' may be used uninitialized in this function [-Wmaybe-uninitialized] end ^ nxtask.F:23:0: note: '__result_nxtask' was declared here integer function nxtask(nproc, ichunk) ^ cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -O1 -o util_memcpy.o util_memcpy.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -O1 -o ga_accback.o ga_accback.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -O1 -o ga_asymmetr.o ga_asymmetr.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -O3 -funroll-loops -ffast-math -O1 -o util_gnxtval.o util_gnxtval.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING nxtask.F util_mirror.F:104.27: call util_mirrstop(1,g_densrep) 1 Warning: Rank mismatch in argument 'g_densrep' at (1) (rank-1 and scalar) util_mirror.F:106.27: call util_mirrstop(1,g_densdis) 1 Warning: Rank mismatch in argument 'g_densrep' at (1) (rank-1 and scalar) ga_copy_dz.F:57:0: note: loop vectorized dgami.f: In function 'dcsevl': dgami.f:351:0: warning: 'b2' may be used uninitialized in this function [-Wmaybe-uninitialized] DCSEVL = 0.5D0*(B0-B2) ^ dgami.f: In function 'initds': dgami.f:932:0: warning: 'i' may be used uninitialized in this function [-Wmaybe-uninitialized] I = NOS + 1 - II ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_mirror.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING ga_copy_dz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec dgami.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_eri_cholesky.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_test_cholesky.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DNEED_LOC -DNOFSCHECK -DNOFSCHECK -DJOBTIMEPATH=\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64\" -DNWCHEM_SRCDIR="\"/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING util_sillysort.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec icopy.f dsum.f:35:0: note: loop vectorized dsum.f:35:0: note: loop peeled for vectorization to enhance alignment dsum.f:22:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec dsum.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec dgefa.f make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' Making all in md5 make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util/md5' cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O0 -g -g -o md5wrap.o md5wrap.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O0 -g -g -o md5.o md5.c make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util/md5' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a md5wrap.o md5.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util/md5' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util/md5' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_intrsc2008.o util_fadvise.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o linux_setfpucw.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o icopy.o dsum.o dgefa.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcutil.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/util' Making libraries in peigs make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs' (make lib ) || exit 1 make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs' (cd ./src/c; make) make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/src/c' cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c clustrfix.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mgscs.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pscale.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c clustrxx5.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c clustrxx4.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pstein4.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pstein5.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c peigs_dlasq1.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c b_ortho.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c chol_bcst.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c choleski9.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c ci_entry.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c conjug22.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c de_sym.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c exit.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c exit2.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c forLL.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c forLU.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c gmax.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c inverse.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c lu_mxm2.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mapdif.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mapdif1.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c matmax.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mdif2b.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mdiff1.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mdiff2.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c memreq.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c memreq_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mgs5.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm25.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm5x.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm88.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm_ll1.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c onenorm.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c ortho.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspev_c.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspevx.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspgv_c.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspgvx.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdsptri.c ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c peigs_cmod.f cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pipe_fut.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pmmLSL.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pmmLUL.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pmmlsl2.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pxerbla.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c qsort.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c resid.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c residual.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c sfnorm.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c shellsort.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c soluf.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c sonenorm.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c soort.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c sort.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c sorteig.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c tred22.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c treesort3.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c tresid.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c util.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c xerbla.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mapchk.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdiff.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pgexit.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c reducemap.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pstebz10.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pstebz11.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c inv_it4.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c inv_it5.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c inv_it3.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c peigs_tldlfact.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c clustrf5.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c r_ritz.c ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c gdot.F ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpeigs.a clustrfix.o mgscs.o pscale.o clustrxx5.o clustrxx4.o pstein4.o pstein5.o peigs_dlasq1.o b_ortho.o chol_bcst.o choleski9.o ci_entry.o conjug22.o de_sym.o exit.o exit2.o forLL.o forLU.o gmax.o inverse.o lu_mxm2.o mapdif.o mapdif1.o matmax.o mdif2b.o mdiff1.o mdiff2.o memreq.o memreq_f.o mgs5.o mxm25.o mxm5x.o mxm88.o mxm_ll1.o onenorm.o ortho.o pdspev_c.o pdspevx.o pdspgv_c.o pdspgvx.o pdsptri.o peigs_cmod.o pipe_fut.o pmmLSL.o pmmLUL.o pmmlsl2.o pxerbla.o qsort.o resid.o residual.o sfnorm.o shellsort.o soluf.o sonenorm.o soort.o sort.o sorteig.o tred22.o treesort3.o tresid.o util.o xerbla.o mapchk.o pdiff.o pgexit.o reducemap.o pstebz10.o pstebz11.o inv_it4.o inv_it5.o inv_it3.o peigs_tldlfact.o clustrf5.o r_ritz.o gdot.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpeigs.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/src/c' (cd ./src/f77; make) make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/src/f77' ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c inverm.F inverm.F:197:0: note: loop vectorized inverm.F:197:0: note: loop peeled for vectorization to enhance alignment inverm.F: In function 'sturmi': inverm.F:497:0: warning: 'icd' may be used uninitialized in this function [-Wmaybe-uninitialized] IC = ICD ^ inverm.F:674:0: note: loop vectorized inverm.F:674:0: note: loop peeled for vectorization to enhance alignment inverm.F:666:0: note: loop vectorized inverm.F:666:0: note: loop peeled for vectorization to enhance alignment inverm.F:654:0: note: loop vectorized inverm.F:654:0: note: loop peeled for vectorization to enhance alignment inverm.F:641:0: note: loop vectorized inverm.F:641:0: note: loop peeled for vectorization to enhance alignment inverm.F:580:0: note: loop vectorized inverm.F:580:0: note: loop peeled for vectorization to enhance alignment inverm.F:567:0: note: loop vectorized inverm.F:567:0: note: loop peeled for vectorization to enhance alignment inverm.F:796:0: note: loop vectorized ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c damax.f damax.f:50:0: note: loop vectorized damax.f:57:0: note: loop vectorized damax.f:57:0: note: loop peeled for vectorization to enhance alignment ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c dlaebz2.F dlaebz2.F:580:0: note: loop vectorized dlaebz2.F:580:0: note: loop peeled for vectorization to enhance alignment dlaebz2.F:329:0: note: loop vectorized dlaebz2.F:329:0: note: loop peeled for vectorization to enhance alignment ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c dstebz3.F dstebz3.F:549:0: note: loop vectorized dstebz3.F:549:0: note: loop peeled for vectorization to enhance alignment dstebz3.F:420:0: note: loop vectorized dstebz3.F:420:0: note: loop peeled for vectorization to enhance alignment dstebz3.F:374:0: note: basic block vectorized dstebz3.F: In function 'dstebz3': dstebz3.F:461:0: warning: 'wu' may be used uninitialized in this function [-Wmaybe-uninitialized] IF( IRANGE.EQ.1 .OR. ( WL.LT.D( IBEGIN )-PIVMIN .AND. WU.GE. ^ dstebz3.F:461:0: warning: 'wl' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c heapsort.f ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c neblw2.F ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c dspevx2.F ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c dgetavec.F ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c dgetavec2.f ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c dgetavec3.f types1.f:53:0: note: loop vectorized types1.f:53:0: note: loop peeled for vectorization to enhance alignment ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c types1.f ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c xerbl2.f ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c menode.f ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c pairup.f ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c xstop.f make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/src/f77' (cd ./comm; make) make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/comm' ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c mxbrod.F mxbrod.F: In function 'mxbrod': mxbrod.F:84:0: warning: 'srcpos' may be used uninitialized in this function [-Wmaybe-uninitialized] integer srcpos ^ ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c mxcombv1.F mxcombv1.F: In function 'mxcombv1': mxcombv1.F:135:0: warning: 'prtlpos' may be used uninitialized in this function [-Wmaybe-uninitialized] integer prtnr, prtlpos ^ ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c mxsubs.F mxsubs.F:113:0: note: basic block vectorized mxsubs.F: In function 'mxbcst': mxsubs.F:571:0: warning: 'ireslt' may be used uninitialized in this function [-Wmaybe-uninitialized] ireslt = mxwrit (data,isize,ito,itype) ^ ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c sum.F sum.F:60:0: note: loop vectorized sum.F:60:0: note: loop peeled for vectorization to enhance alignment sum.F:72:0: note: loop vectorized sum.F:72:0: note: loop peeled for vectorization to enhance alignment sum.F:87:0: note: basic block vectorized maxx.F:69:0: note: loop vectorized maxx.F:69:0: note: loop peeled for vectorization to enhance alignment ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c maxx.F peigs_dgop.F:23:0: note: loop vectorized ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DSTD_DBL -DTCGMSG -DPENTIUM -c peigs_dgop.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/comm' (cd ./ctof; make) make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/ctof' cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c bortho_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm25_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm5x_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c mxm88_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c onenorm_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c ortho_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspev_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspevx_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspgv_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c pdspgvx_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c resid_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c residual_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c sonenorm_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c tresid_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c choleski_f.c cc -O3 -funroll-loops -ffast-math -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/h -DLINUX64 -DPENTIUM -DSTD_DBL -c inverse_f.c make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs/ctof' rm -f libpeigs.a ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpeigs.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpeigs.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs' touch peigs_stamp.LINUX64 make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/peigs' Making libraries in perfm make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG perfm_start.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG perfm_end.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG perfm_flop.F make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o dist.o dist.c make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libperfm.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libperfm.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libperfm.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libperfm.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/perfm' Making libraries in bq make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/bq' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bq_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bq_data.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bq_rtdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bq_main.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bq_force.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bq_checksum.F make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/bq' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libbq.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libbq.a bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libbq.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libbq.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libbq.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/bq' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/bq' Making libraries in cons make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cons' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cons_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cons.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cons_utils.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cons_springs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cons_rtdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cons_data.F make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cons' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libcons.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libcons.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libcons.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libcons.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cons' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cons' Making libraries in blas make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dasum.f double/dasum.f:86:0: note: loop vectorized double/dasum.f:86:0: note: loop peeled for vectorization to enhance alignment double/dasum.f:105:0: note: loop vectorized double/daxpy.f:93:0: note: loop vectorized double/daxpy.f:87:0: note: loop vectorized double/daxpy.f:87:0: note: loop peeled for vectorization to enhance alignment double/dcopy.f:90:0: note: loop vectorized double/ddot.f:87:0: note: loop vectorized double/ddot.f:87:0: note: loop peeled for vectorization to enhance alignment double/ddot.f:109:0: note: loop vectorized double/dgemm.F:301:0: note: loop vectorized double/dgemm.F:291:0: note: loop vectorized double/dgemm.F:276:0: note: loop vectorized double/dgemm.F:261:0: note: loop vectorized double/dgemm.F:247:0: note: loop vectorized double/dgemm.F:378:0: note: loop vectorized double/dgemm.F:368:0: note: loop vectorized double/dgemm.F:353:0: note: loop vectorized double/dgemm.F:338:0: note: loop vectorized double/dgemm.F:324:0: note: loop vectorized double/dgemm.F:461:0: note: loop vectorized double/dgemm.F:451:0: note: loop vectorized double/dgemm.F:436:0: note: loop vectorized double/dgemm.F:421:0: note: loop vectorized double/dgemm.F:412:0: note: loop vectorized double/dgemm.F:403:0: note: loop vectorized double/dgemm.F:538:0: note: loop vectorized double/dgemm.F:528:0: note: loop vectorized double/dgemm.F:513:0: note: loop vectorized double/dgemm.F:498:0: note: loop vectorized double/dgemm.F:484:0: note: loop vectorized double/dgemm.F:223:0: note: loop vectorized double/dgemm.F:223:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/daxpy.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dcopy.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/ddot.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DCACHE1M double/dgemm.F double/dgemv.f:283:0: note: loop vectorized double/dgemv.f:283:0: note: loop peeled for vectorization to enhance alignment double/dgemv.f:310:0: note: loop vectorized double/dgemv.f:310:0: note: loop peeled for vectorization to enhance alignment double/dgemv.f:320:0: note: loop vectorized double/dgemv.f:320:0: note: loop peeled for vectorization to enhance alignment double/dgemv.f:254:0: note: loop vectorized double/dgemv.f:254:0: note: loop peeled for vectorization to enhance alignment double/dger.f:198:0: note: loop vectorized double/dger.f:198:0: note: loop peeled for vectorization to enhance alignment double/dger.f:214:0: note: loop vectorized double/dger.f:214:0: note: loop peeled for vectorization to enhance alignment double/drot.f:78:0: note: loop vectorized double/drot.f:78:0: note: loop peeled for vectorization to enhance alignment double/dscal.f:93:0: note: loop vectorized double/dscal.f:87:0: note: loop vectorized double/dscal.f:87:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgemv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dger.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dnrm2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/drot.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dscal.f double/dspmv.f:258:0: note: loop vectorized double/dspmv.f:258:0: note: loop peeled for vectorization to enhance alignment double/dspmv.f:228:0: note: loop vectorized double/dspmv.f:228:0: note: loop peeled for vectorization to enhance alignment double/dspr.f:202:0: note: loop vectorized double/dspr.f:202:0: note: loop peeled for vectorization to enhance alignment double/dspr.f:215:0: note: loop vectorized double/dspr.f:215:0: note: loop peeled for vectorization to enhance alignment double/dspr.f:233:0: note: loop vectorized double/dspr.f:233:0: note: loop peeled for vectorization to enhance alignment double/dspr.f:246:0: note: loop vectorized double/dspr.f:246:0: note: loop peeled for vectorization to enhance alignment double/dspr.f: In function 'dspr': double/dspr.f:216:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] AP(K) = AP(K) + X(IX)*TEMP ^ double/dswap.f:93:0: note: loop vectorized double/dswap.f:85:0: note: loop vectorized double/dswap.f:85:0: note: loop peeled for vectorization to enhance alignment double/dsymm.f:276:0: note: loop vectorized double/dsymm.f:276:0: note: loop peeled for vectorization to enhance alignment double/dsymm.f:295:0: note: loop vectorized double/dsymm.f:295:0: note: loop peeled for vectorization to enhance alignment double/dsymm.f:312:0: note: loop vectorized double/dsymm.f:312:0: note: loop peeled for vectorization to enhance alignment double/dsymm.f:356:0: note: loop vectorized double/dsymm.f:356:0: note: loop peeled for vectorization to enhance alignment double/dsymm.f:346:0: note: loop vectorized double/dsymm.f:346:0: note: loop peeled for vectorization to enhance alignment double/dsymm.f:332:0: note: loop vectorized double/dsymm.f:332:0: note: loop peeled for vectorization to enhance alignment double/dsymm.f:336:0: note: loop vectorized double/dsymm.f:336:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dspmv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dspr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dswap.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsymm.f double/dsymv.f:267:0: note: loop vectorized double/dsymv.f:267:0: note: loop peeled for vectorization to enhance alignment double/dsymv.f:239:0: note: loop vectorized double/dsymv.f:239:0: note: loop peeled for vectorization to enhance alignment double/dsyr2.f:239:0: note: loop vectorized double/dsyr2.f:239:0: note: loop peeled for vectorization to enhance alignment double/dsyr2.f:251:0: note: loop vectorized double/dsyr2.f:251:0: note: loop peeled for vectorization to enhance alignment double/dsyr2.f:270:0: note: loop vectorized double/dsyr2.f:270:0: note: loop peeled for vectorization to enhance alignment double/dsyr2.f: In function 'dsyr2': double/dsyr2.f:252:0: warning: 'ky' may be used uninitialized in this function [-Wmaybe-uninitialized] A(I,J) = A(I,J) + X(IX)*TEMP1 + Y(IY)*TEMP2 ^ double/dsyr2.f:252:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dsyr2.f:172:0: warning: 'jy' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY ^ double/dsyr2.f:172:0: warning: 'jx' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsymv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsyr2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsyr2k.f double/dsyr2k.f:280:0: note: loop vectorized double/dsyr2k.f:280:0: note: loop peeled for vectorization to enhance alignment double/dsyr2k.f:294:0: note: loop vectorized double/dsyr2k.f:294:0: note: loop peeled for vectorization to enhance alignment double/dsyr2k.f:324:0: note: loop vectorized double/dsyr2k.f:324:0: note: loop peeled for vectorization to enhance alignment double/dsyr2k.f:316:0: note: loop vectorized double/dsyr2k.f:316:0: note: loop peeled for vectorization to enhance alignment double/dsyr2k.f:346:0: note: loop vectorized double/dsyr2k.f:346:0: note: loop peeled for vectorization to enhance alignment double/dsyr2k.f:338:0: note: loop vectorized double/dsyr2k.f:338:0: note: loop peeled for vectorization to enhance alignment double/dsyr2k.f:363:0: note: loop vectorized double/dsyr2k.f:363:0: note: loop peeled for vectorization to enhance alignment double/dsyr2k.f:380:0: note: loop vectorized double/dsyr2k.f:380:0: note: loop peeled for vectorization to enhance alignment double/dsyrk.f:255:0: note: loop vectorized double/dsyrk.f:255:0: note: loop peeled for vectorization to enhance alignment double/dsyrk.f:269:0: note: loop vectorized double/dsyrk.f:269:0: note: loop peeled for vectorization to enhance alignment double/dsyrk.f:298:0: note: loop vectorized double/dsyrk.f:298:0: note: loop peeled for vectorization to enhance alignment double/dsyrk.f:291:0: note: loop vectorized double/dsyrk.f:291:0: note: loop peeled for vectorization to enhance alignment double/dsyrk.f:318:0: note: loop vectorized double/dsyrk.f:318:0: note: loop peeled for vectorization to enhance alignment double/dsyrk.f:311:0: note: loop vectorized double/dsyrk.f:311:0: note: loop peeled for vectorization to enhance alignment double/dsyrk.f:333:0: note: loop vectorized double/dsyrk.f:333:0: note: loop peeled for vectorization to enhance alignment double/dsyrk.f:347:0: note: loop vectorized double/dsyrk.f:347:0: note: loop peeled for vectorization to enhance alignment double/dtrmm.f:279:0: note: loop vectorized double/dtrmm.f:279:0: note: loop peeled for vectorization to enhance alignment double/dtrmm.f:294:0: note: loop vectorized double/dtrmm.f:294:0: note: loop peeled for vectorization to enhance alignment double/dtrmm.f:310:0: note: loop vectorized double/dtrmm.f:310:0: note: loop peeled for vectorization to enhance alignment double/dtrmm.f:321:0: note: loop vectorized double/dtrmm.f:321:0: note: loop peeled for vectorization to enhance alignment double/dtrmm.f:344:0: note: loop vectorized double/dtrmm.f:344:0: note: loop versioned for vectorization because of possible aliasing double/dtrmm.f:344:0: note: loop peeled for vectorization to enhance alignment double/dtrmm.f:338:0: note: loop vectorized double/dtrmm.f:338:0: note: loop peeled for vectorization to enhance alignment double/dtrmm.f:360:0: note: loop vectorized double/dtrmm.f:360:0: note: loop versioned for vectorization because of possible aliasing double/dtrmm.f:360:0: note: loop peeled for vectorization to enhance alignment double/dtrmm.f:354:0: note: loop vectorized double/dtrmm.f:354:0: note: loop peeled for vectorization to enhance alignment double/dtrmm.f:376:0: note: loop vectorized double/dtrmm.f:376:0: note: loop versioned for vectorization because of possible aliasing double/dtrmm.f:376:0: note: loop peeled for vectorization to enhance alignment double/dtrmm.f:384:0: note: loop vectorized double/dtrmm.f:384:0: note: loop peeled for vectorization to enhance alignment double/dtrmm.f:402:0: note: loop vectorized double/dtrmm.f:402:0: note: loop peeled for vectorization to enhance alignment double/dtrmm.f:394:0: note: loop vectorized double/dtrmm.f:394:0: note: loop versioned for vectorization because of possible aliasing double/dtrmm.f:394:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsyrk.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dtrmm.f double/dtrmv.f:234:0: note: loop vectorized double/dtrmv.f:234:0: note: loop peeled for vectorization to enhance alignment double/dtrmv.f:260:0: note: loop vectorized double/dtrmv.f:260:0: note: loop peeled for vectorization to enhance alignment double/dtrmv.f:292:0: note: loop vectorized double/dtrmv.f:292:0: note: loop peeled for vectorization to enhance alignment double/dtrmv.f:303:0: note: loop vectorized double/dtrmv.f:303:0: note: loop peeled for vectorization to enhance alignment double/dtrmv.f:316:0: note: loop vectorized double/dtrmv.f:316:0: note: loop peeled for vectorization to enhance alignment double/dtrmv.f:327:0: note: loop vectorized double/dtrmv.f:327:0: note: loop peeled for vectorization to enhance alignment double/dtrmv.f: In function 'dtrmv': double/dtrmv.f:171:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I,INFO,IX,J,JX,KX ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dtrmv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dtrsm.f double/dtrsm.f:281:0: note: loop vectorized double/dtrsm.f:281:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:297:0: note: loop vectorized double/dtrsm.f:297:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:319:0: note: loop vectorized double/dtrsm.f:319:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:330:0: note: loop vectorized double/dtrsm.f:330:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:360:0: note: loop vectorized double/dtrsm.f:360:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:353:0: note: loop vectorized double/dtrsm.f:353:0: note: loop versioned for vectorization because of possible aliasing double/dtrsm.f:353:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:347:0: note: loop vectorized double/dtrsm.f:347:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:381:0: note: loop vectorized double/dtrsm.f:381:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:374:0: note: loop vectorized double/dtrsm.f:374:0: note: loop versioned for vectorization because of possible aliasing double/dtrsm.f:374:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:368:0: note: loop vectorized double/dtrsm.f:368:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:408:0: note: loop vectorized double/dtrsm.f:408:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:402:0: note: loop vectorized double/dtrsm.f:402:0: note: loop versioned for vectorization because of possible aliasing double/dtrsm.f:402:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:395:0: note: loop vectorized double/dtrsm.f:395:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:430:0: note: loop vectorized double/dtrsm.f:430:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:424:0: note: loop vectorized double/dtrsm.f:424:0: note: loop versioned for vectorization because of possible aliasing double/dtrsm.f:424:0: note: loop peeled for vectorization to enhance alignment double/dtrsm.f:417:0: note: loop vectorized double/dtrsm.f:417:0: note: loop peeled for vectorization to enhance alignment double/dtrsv.f:231:0: note: loop vectorized double/dtrsv.f:231:0: note: loop peeled for vectorization to enhance alignment double/dtrsv.f:257:0: note: loop vectorized double/dtrsv.f:257:0: note: loop peeled for vectorization to enhance alignment double/dtrsv.f:286:0: note: loop vectorized double/dtrsv.f:286:0: note: loop peeled for vectorization to enhance alignment double/dtrsv.f:297:0: note: loop vectorized double/dtrsv.f:297:0: note: loop peeled for vectorization to enhance alignment double/dtrsv.f:310:0: note: loop vectorized double/dtrsv.f:310:0: note: loop peeled for vectorization to enhance alignment double/dtrsv.f:322:0: note: loop vectorized double/dtrsv.f:322:0: note: loop peeled for vectorization to enhance alignment double/dtrsv.f: In function 'dtrsv': double/dtrsv.f:299:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] IX = IX + INCX ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dtrsv.f double/zaxpy.f:82:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dznrm2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/idamax.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/izamax.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/lsame.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zaxpy.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dcabs1.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zcopy.f double/zdrot.f:128:0: note: loop vectorized double/zdrot.f:145:0: note: basic block vectorized double/zdotc.f:81:0: note: loop vectorized double/zdotc.f:93:0: note: loop vectorized double/zdscal.f:81:0: note: loop vectorized double/zdscal.f:90:0: note: basic block vectorized double/zgemm.f:294:0: note: loop vectorized double/zgemm.f:322:0: note: loop vectorized double/zgemm.f:315:0: note: loop vectorized double/zgemm.f:335:0: note: loop vectorized double/zgemm.f:352:0: note: loop vectorized double/zgemm.f:381:0: note: loop vectorized double/zgemm.f:374:0: note: loop vectorized double/zgemm.f:404:0: note: loop vectorized double/zgemm.f:397:0: note: loop vectorized double/zgemm.f:419:0: note: loop vectorized double/zgemm.f:436:0: note: loop vectorized double/zgemm.f:455:0: note: loop vectorized double/zgemm.f:472:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zdrot.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zdotc.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zdscal.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgemm.f double/zgemv.f:290:0: note: loop vectorized double/zgemv.f:318:0: note: loop vectorized double/zgemv.f:322:0: note: loop vectorized double/zgemv.f:334:0: note: loop vectorized double/zgemv.f:339:0: note: loop vectorized double/zgemv.f:261:0: note: loop vectorized double/zgemv.f:326:0: note: basic block vectorized double/zgemv.f:344:0: note: basic block vectorized double/zgerc.f:198:0: note: loop vectorized double/zgerc.f:214:0: note: loop vectorized double/zhemm.f:280:0: note: loop vectorized double/zhemm.f:299:0: note: loop vectorized double/zhemm.f:316:0: note: loop vectorized double/zhemm.f:360:0: note: loop vectorized double/zhemm.f:350:0: note: loop vectorized double/zhemm.f:336:0: note: loop vectorized double/zhemm.f:340:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgemv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgerc.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zhemm.f double/zhemv.f:271:0: note: loop vectorized double/zhemv.f:243:0: note: loop vectorized double/zher2.f:242:0: note: loop vectorized double/zher2.f:258:0: note: loop vectorized double/zher2.f:283:0: note: loop vectorized double/zher2.f:299:0: note: loop vectorized double/zher2.f: In function 'zher2': double/zher2.f:175:0: warning: 'ky' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY ^ double/zher2.f:175:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] double/zher2.f:175:0: warning: 'jy' may be used uninitialized in this function [-Wmaybe-uninitialized] double/zher2.f:175:0: warning: 'jx' may be used uninitialized in this function [-Wmaybe-uninitialized] double/zher2k.f:288:0: note: loop vectorized double/zher2k.f:304:0: note: loop vectorized double/zher2k.f:338:0: note: loop vectorized double/zher2k.f:327:0: note: loop vectorized double/zher2k.f:365:0: note: loop vectorized double/zher2k.f:354:0: note: loop vectorized double/zher2k.f:385:0: note: loop vectorized double/zher2k.f:413:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zhemv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zher2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zher2k.f double/zherk.f:259:0: note: loop vectorized double/zherk.f:275:0: note: loop vectorized double/zherk.f:307:0: note: loop vectorized double/zherk.f:297:0: note: loop vectorized double/zherk.f:332:0: note: loop vectorized double/zherk.f:322:0: note: loop vectorized double/zherk.f:347:0: note: loop vectorized double/zherk.f:357:0: note: loop vectorized double/zherk.f:379:0: note: loop vectorized double/zherk.f:369:0: note: loop vectorized double/zherk.f:353:0: note: basic block vectorized double/zherk.f:385:0: note: basic block vectorized double/zscal.f:78:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zherk.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zscal.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zswap.f double/ztrmm.f:282:0: note: loop vectorized double/ztrmm.f:297:0: note: loop vectorized double/ztrmm.f:314:0: note: loop vectorized double/ztrmm.f:319:0: note: loop vectorized double/ztrmm.f:332:0: note: loop vectorized double/ztrmm.f:337:0: note: loop vectorized double/ztrmm.f:361:0: note: loop vectorized double/ztrmm.f:361:0: note: loop versioned for vectorization because of possible aliasing double/ztrmm.f:355:0: note: loop vectorized double/ztrmm.f:377:0: note: loop vectorized double/ztrmm.f:377:0: note: loop versioned for vectorization because of possible aliasing double/ztrmm.f:371:0: note: loop vectorized double/ztrmm.f:397:0: note: loop vectorized double/ztrmm.f:397:0: note: loop versioned for vectorization because of possible aliasing double/ztrmm.f:411:0: note: loop vectorized double/ztrmm.f:439:0: note: loop vectorized double/ztrmm.f:425:0: note: loop vectorized double/ztrmm.f:425:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/ztrmm.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/ztrmv.f double/ztrmv.f:235:0: note: loop vectorized double/ztrmv.f:351:0: note: loop vectorized double/ztrmv.f:357:0: note: loop vectorized double/ztrmv.f: In function 'ztrmv': double/ztrmv.f:171:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I,INFO,IX,J,JX,KX ^ double/ztrsm.f:283:0: note: loop vectorized double/ztrsm.f:299:0: note: loop vectorized double/ztrsm.f:323:0: note: loop vectorized double/ztrsm.f:328:0: note: loop vectorized double/ztrsm.f:341:0: note: loop vectorized double/ztrsm.f:346:0: note: loop vectorized double/ztrsm.f:377:0: note: loop vectorized double/ztrsm.f:370:0: note: loop vectorized double/ztrsm.f:370:0: note: loop versioned for vectorization because of possible aliasing double/ztrsm.f:364:0: note: loop vectorized double/ztrsm.f:398:0: note: loop vectorized double/ztrsm.f:391:0: note: loop vectorized double/ztrsm.f:391:0: note: loop versioned for vectorization because of possible aliasing double/ztrsm.f:385:0: note: loop vectorized double/ztrsm.f:434:0: note: loop vectorized double/ztrsm.f:428:0: note: loop vectorized double/ztrsm.f:428:0: note: loop versioned for vectorization because of possible aliasing double/ztrsm.f:417:0: note: loop vectorized double/ztrsm.f:464:0: note: loop vectorized double/ztrsm.f:458:0: note: loop vectorized double/ztrsm.f:458:0: note: loop versioned for vectorization because of possible aliasing double/ztrsm.f:447:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/ztrsm.f double/ztrsv.f:294:0: note: loop vectorized double/ztrsv.f:299:0: note: loop vectorized double/ztrsv.f:312:0: note: loop vectorized double/ztrsv.f:318:0: note: loop vectorized double/ztrsv.f: In function 'ztrsv': double/ztrsv.f:173:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I,INFO,IX,J,JX,KX ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/ztrsv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zsyrk.f double/zsyrk.f:254:0: note: loop vectorized double/zsyrk.f:268:0: note: loop vectorized double/zsyrk.f:297:0: note: loop vectorized double/zsyrk.f:290:0: note: loop vectorized double/zsyrk.f:317:0: note: loop vectorized double/zsyrk.f:310:0: note: loop vectorized double/zsyrk.f:332:0: note: loop vectorized double/zsyrk.f:346:0: note: loop vectorized double/zsyr2k.f:277:0: note: loop vectorized double/zsyr2k.f:291:0: note: loop vectorized double/zsyr2k.f:321:0: note: loop vectorized double/zsyr2k.f:313:0: note: loop vectorized double/zsyr2k.f:343:0: note: loop vectorized double/zsyr2k.f:335:0: note: loop vectorized double/zsyr2k.f:360:0: note: loop vectorized double/zsyr2k.f:377:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zsyr2k.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zsymm.f double/zsymm.f:278:0: note: loop vectorized double/zsymm.f:297:0: note: loop vectorized double/zsymm.f:314:0: note: loop vectorized double/zsymm.f:358:0: note: loop vectorized double/zsymm.f:348:0: note: loop vectorized double/zsymm.f:334:0: note: loop vectorized double/zsymm.f:338:0: note: loop vectorized double/zher.f:214:0: note: loop vectorized double/zher.f:228:0: note: loop vectorized double/zher.f:248:0: note: loop vectorized double/zher.f:262:0: note: loop vectorized double/zher.f: In function 'zher': double/zher.f:160:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I,INFO,IX,J,JX,KX ^ double/zgeru.f:198:0: note: loop vectorized double/zgeru.f:214:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zher.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DCACHE1M double/xerbla.F ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgeru.f double/dsyr.f:211:0: note: loop vectorized double/dsyr.f:211:0: note: loop peeled for vectorization to enhance alignment double/dsyr.f:222:0: note: loop vectorized double/dsyr.f:222:0: note: loop peeled for vectorization to enhance alignment double/dsyr.f:238:0: note: loop vectorized double/dsyr.f:238:0: note: loop peeled for vectorization to enhance alignment double/dsyr.f:249:0: note: loop vectorized double/dsyr.f:249:0: note: loop peeled for vectorization to enhance alignment double/dsyr.f: In function 'dsyr': double/dsyr.f:224:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] IX = IX + INCX ^ double/zdotu.f:78:0: note: loop vectorized double/zdotu.f:90:0: note: loop vectorized single/sasum.f:87:0: note: loop vectorized single/sasum.f:87:0: note: loop peeled for vectorization to enhance alignment single/sasum.f:106:0: note: loop vectorized single/saxpy.f:93:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dzasum.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsyr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zdotu.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/sasum.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/saxpy.f single/scopy.f:90:0: note: loop vectorized single/sdot.f:87:0: note: loop vectorized single/sdot.f:87:0: note: loop peeled for vectorization to enhance alignment single/sdot.f:109:0: note: loop vectorized single/sgemm.f:288:0: note: loop vectorized single/sgemm.f:288:0: note: loop peeled for vectorization to enhance alignment single/sgemm.f:316:0: note: loop vectorized single/sgemm.f:316:0: note: loop peeled for vectorization to enhance alignment single/sgemm.f:309:0: note: loop vectorized single/sgemm.f:309:0: note: loop peeled for vectorization to enhance alignment single/sgemm.f:329:0: note: loop vectorized single/sgemm.f:329:0: note: loop peeled for vectorization to enhance alignment single/sgemm.f:358:0: note: loop vectorized single/sgemm.f:358:0: note: loop peeled for vectorization to enhance alignment single/sgemm.f:351:0: note: loop vectorized single/sgemm.f:351:0: note: loop peeled for vectorization to enhance alignment single/sgemm.f:371:0: note: loop vectorized single/sgemm.f:371:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/scopy.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/sdot.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/sgemm.f single/sgemv.f:283:0: note: loop vectorized single/sgemv.f:283:0: note: loop peeled for vectorization to enhance alignment single/sgemv.f:310:0: note: loop vectorized single/sgemv.f:310:0: note: loop peeled for vectorization to enhance alignment single/sgemv.f:320:0: note: loop vectorized single/sgemv.f:320:0: note: loop peeled for vectorization to enhance alignment single/sgemv.f:254:0: note: loop vectorized single/sgemv.f:254:0: note: loop peeled for vectorization to enhance alignment single/sger.f:198:0: note: loop vectorized single/sger.f:198:0: note: loop peeled for vectorization to enhance alignment single/sger.f:214:0: note: loop vectorized single/sger.f:214:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/sgemv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/sger.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/snrm2.f single/srot.f:78:0: note: loop vectorized single/srot.f:78:0: note: loop peeled for vectorization to enhance alignment single/sscal.f:93:0: note: loop vectorized single/sscal.f:87:0: note: loop vectorized single/sscal.f:87:0: note: loop peeled for vectorization to enhance alignment single/sspmv.f:258:0: note: loop vectorized single/sspmv.f:258:0: note: loop peeled for vectorization to enhance alignment single/sspmv.f:228:0: note: loop vectorized single/sspmv.f:228:0: note: loop peeled for vectorization to enhance alignment single/sspr.f:202:0: note: loop vectorized single/sspr.f:202:0: note: loop peeled for vectorization to enhance alignment single/sspr.f:215:0: note: loop vectorized single/sspr.f:215:0: note: loop peeled for vectorization to enhance alignment single/sspr.f:233:0: note: loop vectorized single/sspr.f:233:0: note: loop peeled for vectorization to enhance alignment single/sspr.f:246:0: note: loop vectorized single/sspr.f:246:0: note: loop peeled for vectorization to enhance alignment single/sspr.f: In function 'sspr': single/sspr.f:216:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] AP(K) = AP(K) + X(IX)*TEMP ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/srot.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/sscal.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/sspmv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/sspr.f single/sswap.f:93:0: note: loop vectorized single/ssymm.f:276:0: note: loop vectorized single/ssymm.f:276:0: note: loop peeled for vectorization to enhance alignment single/ssymm.f:295:0: note: loop vectorized single/ssymm.f:295:0: note: loop peeled for vectorization to enhance alignment single/ssymm.f:312:0: note: loop vectorized single/ssymm.f:312:0: note: loop peeled for vectorization to enhance alignment single/ssymm.f:356:0: note: loop vectorized single/ssymm.f:356:0: note: loop peeled for vectorization to enhance alignment single/ssymm.f:346:0: note: loop vectorized single/ssymm.f:346:0: note: loop peeled for vectorization to enhance alignment single/ssymm.f:332:0: note: loop vectorized single/ssymm.f:332:0: note: loop peeled for vectorization to enhance alignment single/ssymm.f:336:0: note: loop vectorized single/ssymm.f:336:0: note: loop peeled for vectorization to enhance alignment single/ssymv.f:267:0: note: loop vectorized single/ssymv.f:267:0: note: loop peeled for vectorization to enhance alignment single/ssymv.f:239:0: note: loop vectorized single/ssymv.f:239:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/sswap.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/ssymm.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/ssymv.f single/ssyr2.f:239:0: note: loop vectorized single/ssyr2.f:239:0: note: loop peeled for vectorization to enhance alignment single/ssyr2.f:251:0: note: loop vectorized single/ssyr2.f:251:0: note: loop peeled for vectorization to enhance alignment single/ssyr2.f:270:0: note: loop vectorized single/ssyr2.f:270:0: note: loop peeled for vectorization to enhance alignment single/ssyr2.f: In function 'ssyr2': single/ssyr2.f:252:0: warning: 'ky' may be used uninitialized in this function [-Wmaybe-uninitialized] A(I,J) = A(I,J) + X(IX)*TEMP1 + Y(IY)*TEMP2 ^ single/ssyr2.f:252:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] single/ssyr2.f:172:0: warning: 'jy' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY ^ single/ssyr2.f:172:0: warning: 'jx' may be used uninitialized in this function [-Wmaybe-uninitialized] single/ssyr2k.f:280:0: note: loop vectorized single/ssyr2k.f:280:0: note: loop peeled for vectorization to enhance alignment single/ssyr2k.f:294:0: note: loop vectorized single/ssyr2k.f:294:0: note: loop peeled for vectorization to enhance alignment single/ssyr2k.f:324:0: note: loop vectorized single/ssyr2k.f:324:0: note: loop peeled for vectorization to enhance alignment single/ssyr2k.f:316:0: note: loop vectorized single/ssyr2k.f:316:0: note: loop peeled for vectorization to enhance alignment single/ssyr2k.f:346:0: note: loop vectorized single/ssyr2k.f:346:0: note: loop peeled for vectorization to enhance alignment single/ssyr2k.f:338:0: note: loop vectorized single/ssyr2k.f:338:0: note: loop peeled for vectorization to enhance alignment single/ssyr2k.f:363:0: note: loop vectorized single/ssyr2k.f:363:0: note: loop peeled for vectorization to enhance alignment single/ssyr2k.f:380:0: note: loop vectorized single/ssyr2k.f:380:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/ssyr2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/ssyr2k.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/ssyrk.f single/ssyrk.f:255:0: note: loop vectorized single/ssyrk.f:255:0: note: loop peeled for vectorization to enhance alignment single/ssyrk.f:269:0: note: loop vectorized single/ssyrk.f:269:0: note: loop peeled for vectorization to enhance alignment single/ssyrk.f:298:0: note: loop vectorized single/ssyrk.f:298:0: note: loop peeled for vectorization to enhance alignment single/ssyrk.f:291:0: note: loop vectorized single/ssyrk.f:291:0: note: loop peeled for vectorization to enhance alignment single/ssyrk.f:318:0: note: loop vectorized single/ssyrk.f:318:0: note: loop peeled for vectorization to enhance alignment single/ssyrk.f:311:0: note: loop vectorized single/ssyrk.f:311:0: note: loop peeled for vectorization to enhance alignment single/ssyrk.f:333:0: note: loop vectorized single/ssyrk.f:333:0: note: loop peeled for vectorization to enhance alignment single/ssyrk.f:347:0: note: loop vectorized single/ssyrk.f:347:0: note: loop peeled for vectorization to enhance alignment single/strmm.f:279:0: note: loop vectorized single/strmm.f:279:0: note: loop peeled for vectorization to enhance alignment single/strmm.f:294:0: note: loop vectorized single/strmm.f:294:0: note: loop peeled for vectorization to enhance alignment single/strmm.f:310:0: note: loop vectorized single/strmm.f:310:0: note: loop peeled for vectorization to enhance alignment single/strmm.f:321:0: note: loop vectorized single/strmm.f:321:0: note: loop peeled for vectorization to enhance alignment single/strmm.f:344:0: note: loop vectorized single/strmm.f:344:0: note: loop versioned for vectorization because of possible aliasing single/strmm.f:344:0: note: loop peeled for vectorization to enhance alignment single/strmm.f:338:0: note: loop vectorized single/strmm.f:338:0: note: loop peeled for vectorization to enhance alignment single/strmm.f:360:0: note: loop vectorized single/strmm.f:360:0: note: loop versioned for vectorization because of possible aliasing single/strmm.f:360:0: note: loop peeled for vectorization to enhance alignment single/strmm.f:354:0: note: loop vectorized single/strmm.f:354:0: note: loop peeled for vectorization to enhance alignment single/strmm.f:376:0: note: loop vectorized single/strmm.f:376:0: note: loop versioned for vectorization because of possible aliasing single/strmm.f:376:0: note: loop peeled for vectorization to enhance alignment single/strmm.f:384:0: note: loop vectorized single/strmm.f:384:0: note: loop peeled for vectorization to enhance alignment single/strmm.f:402:0: note: loop vectorized single/strmm.f:402:0: note: loop peeled for vectorization to enhance alignment single/strmm.f:394:0: note: loop vectorized single/strmm.f:394:0: note: loop versioned for vectorization because of possible aliasing single/strmm.f:394:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/strmm.f single/strmv.f:234:0: note: loop vectorized single/strmv.f:234:0: note: loop peeled for vectorization to enhance alignment single/strmv.f:260:0: note: loop vectorized single/strmv.f:260:0: note: loop peeled for vectorization to enhance alignment single/strmv.f:292:0: note: loop vectorized single/strmv.f:292:0: note: loop peeled for vectorization to enhance alignment single/strmv.f:303:0: note: loop vectorized single/strmv.f:303:0: note: loop peeled for vectorization to enhance alignment single/strmv.f:316:0: note: loop vectorized single/strmv.f:316:0: note: loop peeled for vectorization to enhance alignment single/strmv.f:327:0: note: loop vectorized single/strmv.f:327:0: note: loop peeled for vectorization to enhance alignment single/strmv.f: In function 'strmv': single/strmv.f:171:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I,INFO,IX,J,JX,KX ^ single/strsm.f:281:0: note: loop vectorized single/strsm.f:281:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:297:0: note: loop vectorized single/strsm.f:297:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:319:0: note: loop vectorized single/strsm.f:319:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:330:0: note: loop vectorized single/strsm.f:330:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:360:0: note: loop vectorized single/strsm.f:360:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:353:0: note: loop vectorized single/strsm.f:353:0: note: loop versioned for vectorization because of possible aliasing single/strsm.f:353:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:347:0: note: loop vectorized single/strsm.f:347:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:381:0: note: loop vectorized single/strsm.f:381:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:374:0: note: loop vectorized single/strsm.f:374:0: note: loop versioned for vectorization because of possible aliasing single/strsm.f:374:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:368:0: note: loop vectorized single/strsm.f:368:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:408:0: note: loop vectorized single/strsm.f:408:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:402:0: note: loop vectorized single/strsm.f:402:0: note: loop versioned for vectorization because of possible aliasing single/strsm.f:402:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:395:0: note: loop vectorized single/strsm.f:395:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:430:0: note: loop vectorized single/strsm.f:430:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:424:0: note: loop vectorized single/strsm.f:424:0: note: loop versioned for vectorization because of possible aliasing single/strsm.f:424:0: note: loop peeled for vectorization to enhance alignment single/strsm.f:417:0: note: loop vectorized single/strsm.f:417:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/strmv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/strsm.f single/strsv.f:237:0: note: loop vectorized single/strsv.f:237:0: note: loop peeled for vectorization to enhance alignment single/strsv.f:263:0: note: loop vectorized single/strsv.f:263:0: note: loop peeled for vectorization to enhance alignment single/strsv.f:292:0: note: loop vectorized single/strsv.f:292:0: note: loop peeled for vectorization to enhance alignment single/strsv.f:303:0: note: loop vectorized single/strsv.f:303:0: note: loop peeled for vectorization to enhance alignment single/strsv.f:316:0: note: loop vectorized single/strsv.f:316:0: note: loop peeled for vectorization to enhance alignment single/strsv.f:328:0: note: loop vectorized single/strsv.f:328:0: note: loop peeled for vectorization to enhance alignment single/strsv.f: In function 'strsv': single/strsv.f:305:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] IX = IX + INCX ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/strsv.f single/caxpy.f:82:0: note: loop vectorized single/csrot.f:128:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/scnrm2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/isamax.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/scabs1.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/caxpy.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/ccopy.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/csrot.f single/cdotc.f:82:0: note: loop vectorized single/cdotc.f:94:0: note: loop vectorized single/cgemm.f:294:0: note: loop vectorized single/cgemm.f:322:0: note: loop vectorized single/cgemm.f:315:0: note: loop vectorized single/cgemm.f:335:0: note: loop vectorized single/cgemm.f:352:0: note: loop vectorized single/cgemm.f:381:0: note: loop vectorized single/cgemm.f:374:0: note: loop vectorized single/cgemm.f:404:0: note: loop vectorized single/cgemm.f:397:0: note: loop vectorized single/cgemm.f:419:0: note: loop vectorized single/cgemm.f:436:0: note: loop vectorized single/cgemm.f:455:0: note: loop vectorized single/cgemm.f:472:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/icamax.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/cdotc.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/csscal.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/cgemm.f single/cgemv.f:290:0: note: loop vectorized single/cgemv.f:318:0: note: loop vectorized single/cgemv.f:322:0: note: loop vectorized single/cgemv.f:334:0: note: loop vectorized single/cgemv.f:339:0: note: loop vectorized single/cgemv.f:261:0: note: loop vectorized single/cgerc.f:198:0: note: loop vectorized single/cgerc.f:214:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/cgemv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/cgerc.f single/chemm.f:280:0: note: loop vectorized single/chemm.f:299:0: note: loop vectorized single/chemm.f:316:0: note: loop vectorized single/chemm.f:360:0: note: loop vectorized single/chemm.f:350:0: note: loop vectorized single/chemm.f:336:0: note: loop vectorized single/chemm.f:340:0: note: loop vectorized single/chemv.f:271:0: note: loop vectorized single/chemv.f:243:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/chemm.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/chemv.f single/cher2.f:242:0: note: loop vectorized single/cher2.f:258:0: note: loop vectorized single/cher2.f:283:0: note: loop vectorized single/cher2.f:299:0: note: loop vectorized single/cher2.f: In function 'cher2': single/cher2.f:175:0: warning: 'ky' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY ^ single/cher2.f:175:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] single/cher2.f:175:0: warning: 'jy' may be used uninitialized in this function [-Wmaybe-uninitialized] single/cher2.f:175:0: warning: 'jx' may be used uninitialized in this function [-Wmaybe-uninitialized] single/cher2k.f:287:0: note: loop vectorized single/cher2k.f:303:0: note: loop vectorized single/cher2k.f:337:0: note: loop vectorized single/cher2k.f:326:0: note: loop vectorized single/cher2k.f:364:0: note: loop vectorized single/cher2k.f:353:0: note: loop vectorized single/cher2k.f:384:0: note: loop vectorized single/cher2k.f:412:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/cher2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/cher2k.f single/cherk.f:259:0: note: loop vectorized single/cherk.f:275:0: note: loop vectorized single/cherk.f:307:0: note: loop vectorized single/cherk.f:297:0: note: loop vectorized single/cherk.f:332:0: note: loop vectorized single/cherk.f:322:0: note: loop vectorized single/cherk.f:347:0: note: loop vectorized single/cherk.f:357:0: note: loop vectorized single/cherk.f:379:0: note: loop vectorized single/cherk.f:369:0: note: loop vectorized single/cscal.f:78:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/cherk.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/cscal.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/cswap.f single/ctrmm.f:282:0: note: loop vectorized single/ctrmm.f:297:0: note: loop vectorized single/ctrmm.f:314:0: note: loop vectorized single/ctrmm.f:319:0: note: loop vectorized single/ctrmm.f:332:0: note: loop vectorized single/ctrmm.f:337:0: note: loop vectorized single/ctrmm.f:361:0: note: loop vectorized single/ctrmm.f:361:0: note: loop versioned for vectorization because of possible aliasing single/ctrmm.f:355:0: note: loop vectorized single/ctrmm.f:377:0: note: loop vectorized single/ctrmm.f:377:0: note: loop versioned for vectorization because of possible aliasing single/ctrmm.f:371:0: note: loop vectorized single/ctrmm.f:397:0: note: loop vectorized single/ctrmm.f:397:0: note: loop versioned for vectorization because of possible aliasing single/ctrmm.f:411:0: note: loop vectorized single/ctrmm.f:439:0: note: loop vectorized single/ctrmm.f:425:0: note: loop vectorized single/ctrmm.f:425:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/ctrmm.f single/ctrmv.f:235:0: note: loop vectorized single/ctrmv.f:351:0: note: loop vectorized single/ctrmv.f:357:0: note: loop vectorized single/ctrmv.f: In function 'ctrmv': single/ctrmv.f:171:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I,INFO,IX,J,JX,KX ^ single/ctrsm.f:283:0: note: loop vectorized single/ctrsm.f:299:0: note: loop vectorized single/ctrsm.f:323:0: note: loop vectorized single/ctrsm.f:328:0: note: loop vectorized single/ctrsm.f:341:0: note: loop vectorized single/ctrsm.f:346:0: note: loop vectorized single/ctrsm.f:377:0: note: loop vectorized single/ctrsm.f:370:0: note: loop vectorized single/ctrsm.f:370:0: note: loop versioned for vectorization because of possible aliasing single/ctrsm.f:364:0: note: loop vectorized single/ctrsm.f:398:0: note: loop vectorized single/ctrsm.f:391:0: note: loop vectorized single/ctrsm.f:391:0: note: loop versioned for vectorization because of possible aliasing single/ctrsm.f:385:0: note: loop vectorized single/ctrsm.f:434:0: note: loop vectorized single/ctrsm.f:428:0: note: loop vectorized single/ctrsm.f:428:0: note: loop versioned for vectorization because of possible aliasing single/ctrsm.f:417:0: note: loop vectorized single/ctrsm.f:464:0: note: loop vectorized single/ctrsm.f:458:0: note: loop vectorized single/ctrsm.f:458:0: note: loop versioned for vectorization because of possible aliasing single/ctrsm.f:447:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/ctrmv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/ctrsm.f single/ctrsv.f:294:0: note: loop vectorized single/ctrsv.f:299:0: note: loop vectorized single/ctrsv.f:312:0: note: loop vectorized single/ctrsv.f:318:0: note: loop vectorized single/ctrsv.f: In function 'ctrsv': single/ctrsv.f:173:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I,INFO,IX,J,JX,KX ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/ctrsv.f single/cgeru.f:198:0: note: loop vectorized single/cgeru.f:214:0: note: loop vectorized single/scasum.f:83:0: note: loop vectorized single/scasum.f:91:0: note: loop vectorized single/cdotu.f:78:0: note: loop vectorized single/cdotu.f:90:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/cgeru.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/scasum.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec single/cdotu.f make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcblas.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcblas.a dasum.o daxpy.o dcopy.o ddot.o dgemm.o dgemv.o dger.o dnrm2.o drot.o dscal.o dspmv.o dspr.o dswap.o dsymm.o dsymv.o dsyr2.o dsyr2k.o dsyrk.o dtrmm.o dtrmv.o dtrsm.o dtrsv.o dznrm2.o idamax.o izamax.o lsame.o zaxpy.o dcabs1.o zcopy.o zdrot.o zdotc.o zdscal.o zgemm.o zgemv.o zgerc.o zhemm.o zhemv.o zher2.o zher2k.o zherk.o zscal.o zswap.o ztrmm.o ztrmv.o ztrsm.o ztrsv.o zsyrk.o zsyr2k.o zsymm.o zher.o xerbla.o zgeru.o dzasum.o dsyr.o zdotu.o sasum.o saxpy.o scopy.o sdot.o sgemm.o sgemv.o sger.o snrm2.o srot.o sscal.o sspmv.o sspr.o sswap.o ssymm.o ssymv.o ssyr2.o ssyr2k.o ssyrk.o strmm.o strmv.o strsm.o strsv.o scnrm2.o isamax.o scabs1.o caxpy.o ccopy.o csrot.o icamax.o cdotc.o csscal.o cgemm.o cgemv.o cgerc.o chemm.o chemv.o cher2.o cher2k.o cherk.o cscal.o cswap.o ctrmm.o ctrmv.o ctrsm.o ctrsv.o cgeru.o scasum.o cdotu.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcblas.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcblas.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwcblas.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/blas' Making libraries in lapack make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -ffloat-store -fno-fast-math double/dlamch.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -ffloat-store -fno-fast-math double/dlaisnan.f make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dbdsqr.f double/dbdsqr.f:383:0: note: loop vectorized double/dbdsqr.f:383:0: note: loop peeled for vectorization to enhance alignment double/dbdsqr.f:380:0: note: loop vectorized double/dbdsqr.f:380:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgebd2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgebrd.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgelq2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgelqf.f double/dgesvd.f:3462:0: note: loop vectorized double/dgesvd.f:3462:0: note: loop versioned for vectorization because of possible aliasing double/dgesvd.f:3462:0: note: loop peeled for vectorization to enhance alignment double/dgesvd.f:3457:0: note: loop vectorized double/dgesvd.f:3457:0: note: loop versioned for vectorization because of possible aliasing double/dgesvd.f:3457:0: note: loop peeled for vectorization to enhance alignment double/dgesvd.f: In function 'dgesvd': double/dgesvd.f:677:0: warning: 'mnthr' may be used uninitialized in this function [-Wmaybe-uninitialized] IF( M.GE.MNTHR ) THEN ^ double/dgesvd.f:237:0: warning: 'bdspac' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER BDSPAC, BLK, CHUNK, I, IE, IERR, IR, ISCL, ^ double/dgesvd.f:3458:0: warning: 'ie' may be used uninitialized in this function [-Wmaybe-uninitialized] WORK( I+1 ) = WORK( I+IE-1 ) ^ double/dgesvd.f:1170:0: warning: 'wrkbl' may be used uninitialized in this function [-Wmaybe-uninitialized] ELSE IF( LWORK.GE.WRKBL+( LDA+N )*N ) THEN ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgeqr2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgeqrf.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgesv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgesvd.f double/dgetrf.f:189:0: note: loop vectorized double/dgetrf.f:189:0: note: loop peeled for vectorization to enhance alignment double/dlahr2.f: In function 'dlahr2': double/dlahr2.f:305:0: warning: 'ei' may be used uninitialized in this function [-Wmaybe-uninitialized] A( K+NB, NB ) = EI ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgetf2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgetrf.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgetrs.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/disnan.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlahr2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaqr0.f double/dlacon.f:161:0: note: loop vectorized double/dlacon.f:161:0: note: loop peeled for vectorization to enhance alignment double/dlacon.f:183:0: note: loop vectorized double/dlacon.f:183:0: note: loop peeled for vectorization to enhance alignment double/dlacon.f:228:0: note: loop vectorized double/dlacon.f:228:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlabrd.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlacon.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlacpy.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dladiv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlae2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaev2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaexc.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlagtf.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlagts.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG double/dgels.F ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlange.f double/dlange.f:172:0: note: loop vectorized double/dlange.f:172:0: note: loop peeled for vectorization to enhance alignment double/dlange.f:185:0: note: loop vectorized double/dlange.f:185:0: note: loop peeled for vectorization to enhance alignment double/dlange.f: In function 'dlange': double/dlange.f:138:0: warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] DOUBLE PRECISION SCALE, SUM, VALUE, TEMP ^ double/dlansp.f:188:0: note: loop vectorized double/dlansp.f:188:0: note: loop peeled for vectorization to enhance alignment double/dlansp.f:208:0: note: loop vectorized double/dlansp.f:208:0: note: loop peeled for vectorization to enhance alignment double/dlansp.f: In function 'dlansp': double/dlansp.f:138:0: warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] DOUBLE PRECISION ABSA, SCALE, SUM, VALUE ^ double/dlanst.f: In function 'dlanst': double/dlanst.f:124:0: warning: 'anorm' may be used uninitialized in this function [-Wmaybe-uninitialized] DOUBLE PRECISION ANORM, SCALE, SUM ^ double/dlansy.f:191:0: note: loop vectorized double/dlansy.f:191:0: note: loop peeled for vectorization to enhance alignment double/dlansy.f:208:0: note: loop vectorized double/dlansy.f:208:0: note: loop peeled for vectorization to enhance alignment double/dlansy.f: In function 'dlansy': double/dlansy.f:146:0: warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] DOUBLE PRECISION ABSA, SCALE, SUM, VALUE ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlansp.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dtrti2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlanst.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlansy.f double/dlarfb.f:365:0: note: loop vectorized double/dlarfb.f:365:0: note: loop peeled for vectorization to enhance alignment double/dlarfb.f:490:0: note: loop vectorized double/dlarfb.f:490:0: note: loop peeled for vectorization to enhance alignment double/dlarfb.f:618:0: note: loop vectorized double/dlarfb.f:618:0: note: loop peeled for vectorization to enhance alignment double/dlarfb.f:744:0: note: loop vectorized double/dlarfb.f:744:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlapy2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlapy3.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlarf.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlarfb.f double/dlarfg.f:186:0: note: loop vectorized double/dlarft.f:222:0: note: loop vectorized double/dlarft.f:222:0: note: loop peeled for vectorization to enhance alignment double/dlarft.f:237:0: note: loop vectorized double/dlarft.f:237:0: note: loop peeled for vectorization to enhance alignment double/dlarft.f:281:0: note: loop vectorized double/dlarft.f:281:0: note: loop peeled for vectorization to enhance alignment double/dlarft.f:296:0: note: loop vectorized double/dlarft.f:296:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlarfg.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlarft.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlarnv.f double/dlarnv.f:161:0: note: loop vectorized double/dlartg.f:171:0: note: loop vectorized double/dlartg.f:186:0: note: loop vectorized double/dlaruv.f:438:0: note: basic block vectorized double/dlaruv.f: In function 'dlaruv': double/dlaruv.f:121:0: warning: 'it4' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I, I1, I2, I3, I4, IT1, IT2, IT3, IT4, J ^ double/dlaruv.f:121:0: warning: 'it3' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaruv.f:121:0: warning: 'it2' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaruv.f:121:0: warning: 'it1' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlasy2.f:308:0: note: basic block vectorized double/dlasy2.f: In function 'dlasy2': double/dlasy2.f:202:0: warning: 'jpsv' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I, IP, IPIV, IPSV, J, JP, JPSV, K ^ double/dlasy2.f:202:0: warning: 'ipsv' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlartg.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaruv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlas2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlasy2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlacn2.f double/dlacn2.f:179:0: note: loop vectorized double/dlacn2.f:179:0: note: loop peeled for vectorization to enhance alignment double/dlacn2.f:201:0: note: loop vectorized double/dlacn2.f:201:0: note: loop peeled for vectorization to enhance alignment double/dlacn2.f:246:0: note: loop vectorized double/dlacn2.f:246:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaqr1.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaqr2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaqr3.f double/dlaqr5.f:604:0: note: loop vectorized double/dlaqr5.f:604:0: note: loop versioned for vectorization because of possible aliasing double/dlaqr5.f:604:0: note: loop peeled for vectorization to enhance alignment double/dlaqr5.f:612:0: note: loop vectorized double/dlaqr5.f:612:0: note: loop versioned for vectorization because of possible aliasing double/dlaqr5.f:612:0: note: loop peeled for vectorization to enhance alignment double/dlaqr5.f:595:0: note: loop vectorized double/dlaqr5.f:595:0: note: loop versioned for vectorization because of possible aliasing double/dlaqr5.f:595:0: note: loop peeled for vectorization to enhance alignment double/dlaqr5.f:566:0: note: loop vectorized double/dlaqr5.f:566:0: note: loop versioned for vectorization because of possible aliasing double/dlaqr5.f:566:0: note: loop peeled for vectorization to enhance alignment double/dlaqr5.f:579:0: note: loop vectorized double/dlaqr5.f:579:0: note: loop versioned for vectorization because of possible aliasing double/dlaqr5.f:579:0: note: loop peeled for vectorization to enhance alignment double/dlaqr5.f:551:0: note: loop vectorized double/dlaqr5.f:551:0: note: loop versioned for vectorization because of possible aliasing double/dlaqr5.f:551:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaqr4.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaqr5.f double/dlascl.f:282:0: note: loop vectorized double/dlascl.f:282:0: note: loop peeled for vectorization to enhance alignment double/dlascl.f:292:0: note: loop vectorized double/dlascl.f:292:0: note: loop peeled for vectorization to enhance alignment double/dlascl.f:302:0: note: loop vectorized double/dlascl.f:302:0: note: loop peeled for vectorization to enhance alignment double/dlascl.f:312:0: note: loop vectorized double/dlascl.f:312:0: note: loop peeled for vectorization to enhance alignment double/dlascl.f:324:0: note: loop vectorized double/dlascl.f:324:0: note: loop peeled for vectorization to enhance alignment double/dlascl.f:336:0: note: loop vectorized double/dlascl.f:336:0: note: loop peeled for vectorization to enhance alignment double/dlascl.f:350:0: note: loop vectorized double/dlascl.f:350:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlascl.f double/dlaset.f:147:0: note: loop vectorized double/dlaset.f:147:0: note: loop peeled for vectorization to enhance alignment double/dlaset.f:158:0: note: loop vectorized double/dlaset.f:158:0: note: loop peeled for vectorization to enhance alignment double/dlaset.f:168:0: note: loop vectorized double/dlaset.f:168:0: note: loop peeled for vectorization to enhance alignment double/dlasr.f:357:0: note: loop vectorized double/dlasr.f:357:0: note: loop versioned for vectorization because of possible aliasing double/dlasr.f:357:0: note: loop peeled for vectorization to enhance alignment double/dlasr.f:369:0: note: loop vectorized double/dlasr.f:369:0: note: loop versioned for vectorization because of possible aliasing double/dlasr.f:369:0: note: loop peeled for vectorization to enhance alignment double/dlasr.f:383:0: note: loop vectorized double/dlasr.f:383:0: note: loop versioned for vectorization because of possible aliasing double/dlasr.f:383:0: note: loop peeled for vectorization to enhance alignment double/dlasr.f:395:0: note: loop vectorized double/dlasr.f:395:0: note: loop versioned for vectorization because of possible aliasing double/dlasr.f:395:0: note: loop peeled for vectorization to enhance alignment double/dlasr.f:409:0: note: loop vectorized double/dlasr.f:409:0: note: loop versioned for vectorization because of possible aliasing double/dlasr.f:409:0: note: loop peeled for vectorization to enhance alignment double/dlasr.f:421:0: note: loop vectorized double/dlasr.f:421:0: note: loop versioned for vectorization because of possible aliasing double/dlasr.f:421:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaset.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlasr.f double/dlasrt.f:253:0: note: basic block vectorized double/dlasrt.f:289:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlasrt.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlassq.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlasv2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaswp.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlatrd.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlauu2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlauum.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dorg2l.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dorg2r.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dormhr.f double/dorgbr.f:279:0: note: loop vectorized double/dorgbr.f:279:0: note: loop versioned for vectorization because of possible aliasing double/dorgbr.f:279:0: note: loop peeled for vectorization to enhance alignment double/dorgbr.f:319:0: note: loop vectorized double/dorgbr.f:319:0: note: loop versioned for vectorization because of possible aliasing double/dorgbr.f:319:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dorgbr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dorgl2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dorglq.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dorgql.f double/dorgql.f: In function 'dorgql': double/dorgql.f:210:0: warning: 'nb' may be used uninitialized in this function [-Wmaybe-uninitialized] IF( NB.GT.1 .AND. NB.LT.K ) THEN ^ double/dorgtr.f:210:0: note: loop vectorized double/dorgtr.f:210:0: note: loop versioned for vectorization because of possible aliasing double/dorgtr.f:210:0: note: loop peeled for vectorization to enhance alignment double/dorgtr.f:234:0: note: loop vectorized double/dorgtr.f:234:0: note: loop versioned for vectorization because of possible aliasing double/dorgtr.f:234:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dorgqr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dorgtr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dorm2r.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dormbr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dorml2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dormlq.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dormqr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dpotf2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dpotrf.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dpotri.f double/dsprfs.f:419:0: note: loop vectorized double/dsprfs.f:419:0: note: loop peeled for vectorization to enhance alignment double/dsprfs.f:400:0: note: loop vectorized double/dsprfs.f:400:0: note: loop versioned for vectorization because of possible aliasing double/dsprfs.f:400:0: note: loop peeled for vectorization to enhance alignment double/dsprfs.f:407:0: note: loop vectorized double/dsprfs.f:407:0: note: loop versioned for vectorization because of possible aliasing double/dsprfs.f:407:0: note: loop peeled for vectorization to enhance alignment double/dsprfs.f:381:0: note: loop vectorized double/dsprfs.f:381:0: note: loop versioned for vectorization because of possible aliasing double/dsprfs.f:381:0: note: loop peeled for vectorization to enhance alignment double/dsprfs.f:307:0: note: loop vectorized double/dsprfs.f:307:0: note: loop peeled for vectorization to enhance alignment double/dsprfs.f:321:0: note: loop vectorized double/dsprfs.f:321:0: note: loop peeled for vectorization to enhance alignment double/dsprfs.f:295:0: note: loop vectorized double/dsprfs.f:295:0: note: loop peeled for vectorization to enhance alignment double/dsptrf.f:380:0: note: loop vectorized double/dsptrf.f:380:0: note: loop versioned for vectorization because of possible aliasing double/dsptrf.f:380:0: note: loop peeled for vectorization to enhance alignment double/dsptrf.f:580:0: note: loop vectorized double/dsptrf.f:580:0: note: loop versioned for vectorization because of possible aliasing double/dsptrf.f:580:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dspcon.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsprfs.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dspsvx.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsptrf.f double/dsptrf.f: In function 'dsptrf': double/dsptrf.f:507:0: warning: 'imax' may be used uninitialized in this function [-Wmaybe-uninitialized] $ 1 ) ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsptrs.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsteqr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsterf.f double/dsterf.f:208:0: note: loop vectorized double/dsterf.f:208:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsyev.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsygs2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsygst.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsygv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsytd2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dsytrd.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dtrexc.f double/dlasq1.f:203:0: note: loop vectorized double/dlasq1.f:203:0: note: loop peeled for vectorization to enhance alignment double/dlasq1.f:212:0: note: loop vectorized double/dlasq1.f:195:0: note: loop vectorized double/dlasq1.f:195:0: note: loop peeled for vectorization to enhance alignment double/dlasq1.f:178:0: note: loop vectorized double/dlasq1.f:178:0: note: loop peeled for vectorization to enhance alignment double/dlasq1.f:165:0: note: loop vectorized double/dlasq1.f:165:0: note: loop peeled for vectorization to enhance alignment double/dlasq2.f:567:0: note: loop vectorized double/dlasq2.f:567:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dtrtri.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlasq1.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlasq2.f double/dlasq4.f: In function 'dlasq4': double/dlasq4.f:420:0: warning: 's' may be used uninitialized in this function [-Wmaybe-uninitialized] TAU = S ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlasq3.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlasq5.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlasq4.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlasq6.f double/dlaebz.f:629:0: note: loop vectorized double/dlaebz.f:629:0: note: loop peeled for vectorization to enhance alignment double/dlaebz.f:404:0: note: loop vectorized double/dlaebz.f:404:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dposv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dtrtrs.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dpotrs.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaebz.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dstedc.f double/dstedc.f: In function 'dstedc': double/dstedc.f:215:0: warning: 'lwmin' may be used uninitialized in this function [-Wmaybe-uninitialized] $ LWMIN, M, SMLSIZ, START, STOREZ, STRTRW ^ double/dstedc.f:483:0: warning: 'liwmin' may be used uninitialized in this function [-Wmaybe-uninitialized] IWORK( 1 ) = LIWMIN ^ double/dlaed0.f:337:0: note: loop vectorized double/dlaed0.f:337:0: note: loop peeled for vectorization to enhance alignment double/dlaed0.f:297:0: note: loop vectorized double/dlaed0.f:297:0: note: loop versioned for vectorization because of possible aliasing double/dlaed0.f:297:0: note: loop peeled for vectorization to enhance alignment double/dlaed0.f: In function 'dlaed0': double/dlaed0.f:386:0: warning: 'iwrem' may be used uninitialized in this function [-Wmaybe-uninitialized] $ IWORK( SUBPBS+1 ), INFO ) ^ double/dlaed0.f:386:0: warning: 'iqptr' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaed0.f:386:0: warning: 'iq' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaed0.f:386:0: warning: 'iprmpt' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaed0.f:386:0: warning: 'iperm' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaed0.f:386:0: warning: 'igivpt' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaed0.f:386:0: warning: 'igivcl' may be used uninitialized in this function [-Wmaybe-uninitialized] double/dlaed1.f:264:0: note: loop vectorized double/dlaed1.f:264:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaed0.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaed1.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaed2.f double/dlaed2.f:347:0: note: loop vectorized double/dlaed2.f:347:0: note: loop peeled for vectorization to enhance alignment double/dlaed2.f:344:0: note: loop vectorized double/dlaed2.f:344:0: note: loop peeled for vectorization to enhance alignment double/dlaed2.f:299:0: note: loop vectorized double/dlaed2.f:299:0: note: loop peeled for vectorization to enhance alignment double/dlaed2.f:438:0: note: basic block vectorized double/dlaed2.f:531:0: note: basic block vectorized double/dlaed2.f: In function 'dlaed2': double/dlaed2.f:243:0: warning: 'pj' may be used uninitialized in this function [-Wmaybe-uninitialized] $ N2, NJ, PJ ^ double/dlaed3.f:312:0: note: loop vectorized double/dlaed3.f:312:0: note: loop peeled for vectorization to enhance alignment double/dlaed3.f:305:0: note: loop vectorized double/dlaed3.f:305:0: note: loop peeled for vectorization to enhance alignment double/dlaed3.f:301:0: note: loop vectorized double/dlaed3.f:301:0: note: loop peeled for vectorization to enhance alignment double/dlaed3.f:298:0: note: loop vectorized double/dlaed3.f:298:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaed3.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaed4.f double/dlaed4.f:435:0: note: loop vectorized double/dlaed4.f:435:0: note: loop peeled for vectorization to enhance alignment double/dlaed4.f:359:0: note: loop vectorized double/dlaed4.f:359:0: note: loop peeled for vectorization to enhance alignment double/dlaed4.f:284:0: note: loop vectorized double/dlaed4.f:284:0: note: loop peeled for vectorization to enhance alignment double/dlaed4.f:238:0: note: loop vectorized double/dlaed4.f:238:0: note: loop peeled for vectorization to enhance alignment double/dlaed4.f:233:0: note: loop vectorized double/dlaed4.f:233:0: note: loop peeled for vectorization to enhance alignment double/dlaed4.f:858:0: note: loop vectorized double/dlaed4.f:858:0: note: loop peeled for vectorization to enhance alignment double/dlaed4.f:694:0: note: loop vectorized double/dlaed4.f:694:0: note: loop peeled for vectorization to enhance alignment double/dlaed4.f:536:0: note: loop vectorized double/dlaed4.f:536:0: note: loop peeled for vectorization to enhance alignment double/dlaed4.f:540:0: note: loop vectorized double/dlaed4.f:540:0: note: loop peeled for vectorization to enhance alignment double/dlaed4.f:494:0: note: loop vectorized double/dlaed4.f:494:0: note: loop peeled for vectorization to enhance alignment double/dlaed4.f:489:0: note: loop vectorized double/dlaed4.f:489:0: note: loop peeled for vectorization to enhance alignment double/dlaed4.f:484:0: note: loop vectorized double/dlaed4.f:484:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaed5.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaed6.f double/dlaed6.f:305:0: note: loop vectorized double/dlaed6.f:285:0: note: loop vectorized double/dlaed7.f:397:0: note: loop vectorized double/dlaed7.f:397:0: note: loop peeled for vectorization to enhance alignment double/dlaed8.f:341:0: note: loop vectorized double/dlaed8.f:341:0: note: loop peeled for vectorization to enhance alignment double/dlaed8.f:333:0: note: loop vectorized double/dlaed8.f:333:0: note: loop peeled for vectorization to enhance alignment double/dlaed8.f: In function 'dlaed8': double/dlaed8.f:272:0: warning: 'jlam' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I, IMAX, J, JLAM, JMAX, JP, K2, N1, N1P1, N2 ^ double/dlaed9.f:284:0: note: loop vectorized double/dlaed9.f:284:0: note: loop peeled for vectorization to enhance alignment double/dlaed9.f:280:0: note: loop vectorized double/dlaed9.f:280:0: note: loop peeled for vectorization to enhance alignment double/dlaed9.f:273:0: note: loop vectorized double/dlaed9.f:273:0: note: loop peeled for vectorization to enhance alignment double/dlaed9.f:269:0: note: loop vectorized double/dlaed9.f:269:0: note: loop peeled for vectorization to enhance alignment double/dlaed9.f:266:0: note: loop vectorized double/dlaed9.f:266:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaed7.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaed8.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaed9.f double/dlamrg.f:153:0: note: loop vectorized double/dlamrg.f:153:0: note: loop peeled for vectorization to enhance alignment double/dlamrg.f:160:0: note: loop vectorized double/dlamrg.f:160:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlamrg.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaeda.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/ilaenv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/ieeeck.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/lsamen.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/iladlr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/iladlc.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/ilazlc.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/ilazlr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/iparmq.f double/iparmq.f: In function 'iparmq': double/iparmq.f:309:0: warning: 'ns' may be used uninitialized in this function [-Wmaybe-uninitialized] IF( NS.GE.KACMIN ) ^ double/iparmq.f:293:0: warning: 'nh' may be used uninitialized in this function [-Wmaybe-uninitialized] IF( NH.LE.KNWSWP ) THEN ^ double/zbdsqr.f:376:0: note: loop vectorized double/zbdsqr.f:376:0: note: loop peeled for vectorization to enhance alignment double/zbdsqr.f:373:0: note: loop vectorized double/zbdsqr.f:373:0: note: loop peeled for vectorization to enhance alignment double/zgebd2.f:247:0: note: basic block vectorized double/zgebd2.f:310:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zbdsqr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgebd2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgebrd.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgelq2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgelqf.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgeqr2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgeqrf.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgesvd.f double/zgesvd.f: In function 'zgesvd': double/zgesvd.f:663:0: warning: 'mnthr' may be used uninitialized in this function [-Wmaybe-uninitialized] IF( M.GE.MNTHR ) THEN ^ double/zgesvd.f:1188:0: warning: 'wrkbl' may be used uninitialized in this function [-Wmaybe-uninitialized] IF( LWORK.GE.WRKBL+2*LDA*N ) THEN ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zheev.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zhegs2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zhegst.f double/zhetd2.f:249:0: note: basic block vectorized double/zhetd2.f:293:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zhegv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zhetd2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zhetrd.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlacgv.f double/zlanhe.f: In function 'zlanhe': double/zlanhe.f:149:0: warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] DOUBLE PRECISION ABSA, SCALE, SUM, VALUE ^ double/zlarfb.f:368:0: note: loop vectorized double/zlarfb.f:498:0: note: loop vectorized double/zlarfb.f:627:0: note: loop vectorized double/zlarfb.f:755:0: note: loop vectorized double/zlarfg.f:193:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zladiv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlanhe.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlarf.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlarfb.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlarfg.f double/zlarft.f:223:0: note: loop vectorized double/zlarft.f:238:0: note: loop vectorized double/zlarft.f:282:0: note: loop vectorized double/zlarft.f:297:0: note: loop vectorized double/zlarft.f:232:0: note: basic block vectorized double/zlarft.f:247:0: note: basic block vectorized double/zlarft.f:291:0: note: basic block vectorized double/zlarft.f:306:0: note: basic block vectorized double/zlascl.f:282:0: note: loop vectorized double/zlascl.f:292:0: note: loop vectorized double/zlascl.f:302:0: note: loop vectorized double/zlascl.f:312:0: note: loop vectorized double/zlascl.f:324:0: note: loop vectorized double/zlascl.f:336:0: note: loop vectorized double/zlascl.f:350:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlabrd.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlarft.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlascl.f double/zlasr.f:360:0: note: loop vectorized double/zlasr.f:360:0: note: loop versioned for vectorization because of possible aliasing double/zlasr.f:372:0: note: loop vectorized double/zlasr.f:372:0: note: loop versioned for vectorization because of possible aliasing double/zlasr.f:386:0: note: loop vectorized double/zlasr.f:386:0: note: loop versioned for vectorization because of possible aliasing double/zlasr.f:398:0: note: loop vectorized double/zlasr.f:398:0: note: loop versioned for vectorization because of possible aliasing double/zlasr.f:412:0: note: loop vectorized double/zlasr.f:412:0: note: loop versioned for vectorization because of possible aliasing double/zlasr.f:424:0: note: loop vectorized double/zlasr.f:424:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlaset.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlasr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlassq.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlatrd.f double/zlatrd.f:272:0: note: basic block vectorized double/zlatrd.f:325:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zpotf2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zpotrf.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zsteqr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zung2l.f double/zung2r.f:188:0: note: basic block vectorized double/zungql.f: In function 'zungql': double/zungql.f:210:0: warning: 'nb' may be used uninitialized in this function [-Wmaybe-uninitialized] IF( NB.GT.1 .AND. NB.LT.K ) THEN ^ double/zspmv.f:267:0: note: loop vectorized double/zspmv.f:236:0: note: loop vectorized double/zspr.f:209:0: note: loop vectorized double/zspr.f:225:0: note: loop vectorized double/zspr.f:247:0: note: loop vectorized double/zspr.f:263:0: note: loop vectorized double/zspr.f: In function 'zspr': double/zspr.f:156:0: warning: 'kx' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I, INFO, IX, J, JX, K, KK, KX ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zung2r.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zungql.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zspcon.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zspmv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zspr.f double/zsprfs.f:425:0: note: loop vectorized double/zsprfs.f:407:0: note: loop vectorized double/zsprfs.f:414:0: note: loop vectorized double/zsprfs.f:315:0: note: loop vectorized double/zsprfs.f:329:0: note: loop vectorized double/zsprfs.f:303:0: note: loop vectorized double/zsptrf.f:585:0: note: loop vectorized double/zsptrf.f:585:0: note: loop versioned for vectorization because of possible aliasing double/zsptrf.f: In function 'zsptrf': double/zsptrf.f:513:0: warning: 'imax' may be used uninitialized in this function [-Wmaybe-uninitialized] $ 1 ) ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zsprfs.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zspsvx.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zsptrf.f double/zlansp.f: In function 'zlansp': double/zlansp.f:140:0: warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] DOUBLE PRECISION ABSA, SCALE, SUM, VALUE ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zsptrs.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlacon.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlacpy.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlansp.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zungbr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zungl2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zunglq.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zungqr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zungtr.f double/zunm2r.f:265:0: note: basic block vectorized double/zunm2r.f:259:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zunm2r.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zunmbr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zunml2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zunmlq.f double/zlarfx.f:444:0: note: loop vectorized double/zlarfx.f:456:0: note: loop vectorized double/zlarfx.f:456:0: note: loop versioned for vectorization because of possible aliasing double/zlarfx.f:472:0: note: loop vectorized double/zlarfx.f:472:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zunmqr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlarfx.f double/zlatrs.f:374:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zunghr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlatrs.f double/zgebal.f:237:0: note: loop vectorized double/zgebal.f:237:0: note: loop peeled for vectorization to enhance alignment double/zgebal.f:308:0: note: loop vectorized double/zgebal.f:308:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgebak.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgebal.f double/zgeev.f:462:0: note: loop vectorized double/zgeev.f:437:0: note: loop vectorized double/zgehd2.f:203:0: note: basic block vectorized double/zgehrd.f: In function 'zgehrd': double/zgehrd.f:300:0: warning: 'nx' may be used uninitialized in this function [-Wmaybe-uninitialized] DO 40 I = ILO, IHI - 1 - NX, NB ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgeev.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgehd2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgehrd.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgesv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgetf2.f double/zgetrf.f:189:0: note: loop vectorized double/zgetrf.f:189:0: note: loop peeled for vectorization to enhance alignment double/zlahqr.f:497:0: note: loop vectorized double/zlahqr.f:497:0: note: loop versioned for vectorization because of possible aliasing double/zlahqr.f:487:0: note: loop vectorized double/zlahqr.f:487:0: note: loop versioned for vectorization because of possible aliasing double/zlahqr.f:260:0: note: basic block vectorized double/zlahqr.f:556:0: note: basic block vectorized double/zlahqr.f: In function 'zlahqr': double/zlahqr.f:538:0: warning: 'i2' may be used uninitialized in this function [-Wmaybe-uninitialized] $ CALL ZSCAL( I2-I, DCONJG( TEMP ), H( I, I+1 ), LDH ) ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgetrf.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zgetrs.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zhseqr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlahqr.f double/zlahrd.f:264:0: note: basic block vectorized double/zlahrd.f:288:0: note: basic block vectorized double/zlange.f: In function 'zlange': double/zlange.f:140:0: warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] DOUBLE PRECISION SCALE, SUM, VALUE, TEMP ^ double/zlanhs.f: In function 'zlanhs': double/zlanhs.f:134:0: warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] DOUBLE PRECISION SCALE, SUM, VALUE ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlahrd.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlange.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlanhs.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlabad.f double/ztrevc.f:360:0: note: loop vectorized double/ztrevc.f:332:0: note: basic block vectorized double/ztrevc.f:405:0: note: basic block vectorized double/ztrevc.f:475:0: note: basic block vectorized double/zrot.f:156:0: note: loop vectorized double/zlaqr3.f:476:0: note: basic block vectorized double/zlaqr3.f:489:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/ztrevc.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlaswp.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zrot.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlaqr3.f double/ztrexc.f:207:0: note: basic block vectorized double/zlahr2.f: In function 'zlahr2': double/zlahr2.f:307:0: warning: 'IMAGPART_EXPR <ei>' may be used uninitialized in this function [-Wmaybe-uninitialized] A( K+NB, NB ) = EI ^ double/zlahr2.f:206:0: warning: 'REALPART_EXPR <ei>' may be used uninitialized in this function [-Wmaybe-uninitialized] COMPLEX*16 EI ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/ztrexc.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zunmhr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlahr2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlaqr0.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlaqr4.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlartg.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlaqr1.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/xerbla.f double/zlaqr5.f:416:0: note: basic block vectorized double/zlaqr5.f:444:0: note: basic block vectorized double/zlaqr5.f:475:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlaqr5.f double/zlaqr2.f:465:0: note: basic block vectorized double/zlaqr2.f:478:0: note: basic block vectorized double/dgeev.f:484:0: note: loop vectorized double/dgeev.f:484:0: note: loop peeled for vectorization to enhance alignment double/dgeev.f:454:0: note: loop vectorized double/dgeev.f:454:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/zlaqr2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/lsame.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgeev.f double/dgeevx.f:521:0: note: loop vectorized double/dgeevx.f:521:0: note: loop peeled for vectorization to enhance alignment double/dgeevx.f:492:0: note: loop vectorized double/dgeevx.f:492:0: note: loop peeled for vectorization to enhance alignment double/dgebal.f:229:0: note: loop vectorized double/dgebal.f:229:0: note: loop peeled for vectorization to enhance alignment double/dgebal.f:300:0: note: loop vectorized double/dgebal.f:300:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgeevx.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgebak.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgebal.f double/dgehrd.f: In function 'dgehrd': double/dgehrd.f:300:0: warning: 'nx' may be used uninitialized in this function [-Wmaybe-uninitialized] DO 40 I = ILO, IHI - 1 - NX, NB ^ double/dlaqtr.f:524:0: note: loop vectorized double/dlaqtr.f:524:0: note: loop peeled for vectorization to enhance alignment double/dlaqtr.f:464:0: note: loop vectorized double/dlaqtr.f:464:0: note: loop peeled for vectorization to enhance alignment double/dlaqtr.f:158:0: note: loop vectorized double/dlaqtr.f:158:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgehrd.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dtrsna.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaqtr.f double/dhseqr.f:433:0: note: loop vectorized double/dhseqr.f:433:0: note: loop peeled for vectorization to enhance alignment double/dhseqr.f:429:0: note: loop vectorized double/dhseqr.f:429:0: note: loop peeled for vectorization to enhance alignment double/dorghr.f:208:0: note: loop vectorized double/dorghr.f:208:0: note: loop versioned for vectorization because of possible aliasing double/dorghr.f:208:0: note: loop peeled for vectorization to enhance alignment double/dtrevc.f:744:0: note: loop vectorized double/dtrevc.f:744:0: note: loop peeled for vectorization to enhance alignment double/dtrevc.f:1029:0: note: loop vectorized double/dtrevc.f:1029:0: note: loop versioned for vectorization because of possible aliasing double/dtrevc.f:1029:0: note: loop peeled for vectorization to enhance alignment double/dtrevc.f:1021:0: note: loop vectorized double/dtrevc.f:1021:0: note: loop peeled for vectorization to enhance alignment double/dtrevc.f:1047:0: note: loop vectorized double/dtrevc.f:1047:0: note: loop peeled for vectorization to enhance alignment double/dtrevc.f:891:0: note: loop vectorized double/dtrevc.f:891:0: note: loop versioned for vectorization because of possible aliasing double/dtrevc.f:891:0: note: loop peeled for vectorization to enhance alignment double/dtrevc.f:413:0: note: loop vectorized double/dtrevc.f:413:0: note: loop peeled for vectorization to enhance alignment double/dtrevc.f:664:0: note: loop vectorized double/dtrevc.f:664:0: note: loop versioned for vectorization because of possible aliasing double/dtrevc.f:664:0: note: loop peeled for vectorization to enhance alignment double/dtrevc.f:655:0: note: loop vectorized double/dtrevc.f:655:0: note: loop peeled for vectorization to enhance alignment double/dtrevc.f:684:0: note: loop vectorized double/dtrevc.f:684:0: note: loop peeled for vectorization to enhance alignment double/dtrevc.f:543:0: note: loop vectorized double/dtrevc.f:543:0: note: loop versioned for vectorization because of possible aliasing double/dtrevc.f:543:0: note: loop peeled for vectorization to enhance alignment double/dtrevc.f:357:0: note: loop vectorized double/dtrevc.f:357:0: note: loop peeled for vectorization to enhance alignment double/dtrevc.f:488:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dhseqr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dorghr.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dtrevc.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaln2.f double/dlahqr.f:518:0: note: loop vectorized double/dlahqr.f:518:0: note: loop versioned for vectorization because of possible aliasing double/dlahqr.f:518:0: note: loop peeled for vectorization to enhance alignment double/dlahqr.f:507:0: note: loop vectorized double/dlahqr.f:507:0: note: loop versioned for vectorization because of possible aliasing double/dlahqr.f:507:0: note: loop peeled for vectorization to enhance alignment double/dlahqr.f:549:0: note: loop vectorized double/dlahqr.f:549:0: note: loop versioned for vectorization because of possible aliasing double/dlahqr.f:549:0: note: loop peeled for vectorization to enhance alignment double/dlahqr.f:539:0: note: loop vectorized double/dlahqr.f:539:0: note: loop versioned for vectorization because of possible aliasing double/dlahqr.f:539:0: note: loop peeled for vectorization to enhance alignment double/dlahqr.f: In function 'dlahqr': double/dlahqr.f:238:0: warning: 'i2' may be used uninitialized in this function [-Wmaybe-uninitialized] INTEGER I, I1, I2, ITS, J, K, L, M, NH, NR, NZ ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlahqr.f double/dlanhs.f:166:0: note: loop vectorized double/dlanhs.f:166:0: note: loop peeled for vectorization to enhance alignment double/dlanhs.f:179:0: note: loop vectorized double/dlanhs.f:179:0: note: loop peeled for vectorization to enhance alignment double/dlanhs.f: In function 'dlanhs': double/dlanhs.f:132:0: warning: 'value' may be used uninitialized in this function [-Wmaybe-uninitialized] DOUBLE PRECISION SCALE, SUM, VALUE ^ double/dlarfx.f:441:0: note: loop vectorized double/dlarfx.f:441:0: note: loop peeled for vectorization to enhance alignment double/dlarfx.f:453:0: note: loop vectorized double/dlarfx.f:453:0: note: loop versioned for vectorization because of possible aliasing double/dlarfx.f:453:0: note: loop peeled for vectorization to enhance alignment double/dlarfx.f:469:0: note: loop vectorized double/dlarfx.f:469:0: note: loop versioned for vectorization because of possible aliasing double/dlarfx.f:469:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dgehd2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlanhs.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlarfx.f double/dlahrd.f: In function 'dlahrd': double/dlahrd.f:282:0: warning: 'ei' may be used uninitialized in this function [-Wmaybe-uninitialized] A( K+NB, NB ) = EI ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlahrd.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlanv2.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlarra.f double/dlarrb.f:390:0: note: loop vectorized double/dlarrb.f:390:0: note: loop peeled for vectorization to enhance alignment double/dlarrd.f:748:0: note: loop vectorized double/dlarrd.f:748:0: note: loop versioned for vectorization because of possible aliasing double/dlarrd.f:748:0: note: loop peeled for vectorization to enhance alignment double/dlarrd.f:696:0: note: loop vectorized double/dlarrd.f:696:0: note: loop peeled for vectorization to enhance alignment double/dlarrd.f:626:0: note: loop vectorized double/dlarrd.f:456:0: note: loop vectorized double/dlarrd.f:484:0: note: basic block vectorized double/dlarrd.f: In function 'dlarrd': double/dlarrd.f:737:0: warning: 'wul' may be used uninitialized in this function [-Wmaybe-uninitialized] IF( W( JE ).GE.WUL .AND. IDISCU.GT.0 ) THEN ^ double/dlarrd.f:720:0: warning: 'wlu' may be used uninitialized in this function [-Wmaybe-uninitialized] IF( W( JE ).LE.WLU .AND. IDISCL.GT.0 ) THEN ^ ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlarrb.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlarrc.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlarrd.f double/dlarrv.f:720:0: note: loop vectorized double/dlarrv.f:720:0: note: loop peeled for vectorization to enhance alignment double/dlarrv.f:601:0: note: loop vectorized double/dlarrv.f:601:0: note: loop peeled for vectorization to enhance alignment double/dlarrv.f:553:0: note: loop vectorized double/dlarrv.f:553:0: note: loop versioned for vectorization because of possible aliasing double/dlarrv.f:553:0: note: loop peeled for vectorization to enhance alignment double/dlarrv.f:471:0: note: loop vectorized double/dlarrv.f:471:0: note: loop peeled for vectorization to enhance alignment double/dlarrv.f:434:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlarrf.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlarrk.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlarrv.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlar1v.f ftn -c -m64 -ffast-math -Warray-bounds -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double/dlaneg.f make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwclapack.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwclapack.a dlamch.o dlaisnan.o dbdsqr.o dgebd2.o dgebrd.o dgelq2.o dgelqf.o dgeqr2.o dgeqrf.o dgesv.o dgesvd.o dgetf2.o dgetrf.o dgetrs.o disnan.o dlahr2.o dlaqr0.o dlabrd.o dlacon.o dlacpy.o dladiv.o dlae2.o dlaev2.o dlaexc.o dlagtf.o dlagts.o dgels.o dlange.o dlansp.o dtrti2.o dlanst.o dlansy.o dlapy2.o dlapy3.o dlarf.o dlarfb.o dlarfg.o dlarft.o dlarnv.o dlartg.o dlaruv.o dlas2.o dlasy2.o dlacn2.o dlaqr1.o dlaqr2.o dlaqr3.o dlaqr4.o dlaqr5.o dlascl.o dlaset.o dlasr.o dlasrt.o dlassq.o dlasv2.o dlaswp.o dlatrd.o dlauu2.o dlauum.o dorg2l.o dorg2r.o dormhr.o dorgbr.o dorgl2.o dorglq.o dorgql.o dorgqr.o dorgtr.o dorm2r.o dormbr.o dorml2.o dormlq.o dormqr.o dpotf2.o dpotrf.o dpotri.o dspcon.o dsprfs.o dspsvx.o dsptrf.o dsptrs.o dsteqr.o dsterf.o dsyev.o dsygs2.o dsygst.o dsygv.o dsytd2.o dsytrd.o dtrexc.o dtrtri.o dlasq1.o dlasq2.o dlasq3.o dlasq5.o dlasq4.o dlasq6.o dposv.o dtrtrs.o dpotrs.o dlaebz.o dstedc.o dlaed0.o dlaed1.o dlaed2.o dlaed3.o dlaed4.o dlaed5.o dlaed6.o dlaed7.o dlaed8.o dlaed9.o dlamrg.o dlaeda.o ilaenv.o ieeeck.o lsamen.o iladlr.o iladlc.o ilazlc.o ilazlr.o iparmq.o zbdsqr.o zgebd2.o zgebrd.o zgelq2.o zgelqf.o zgeqr2.o zgeqrf.o zgesvd.o zheev.o zhegs2.o zhegst.o zhegv.o zhetd2.o zhetrd.o zlacgv.o zladiv.o zlanhe.o zlarf.o zlarfb.o zlarfg.o zlabrd.o zlarft.o zlascl.o zlaset.o zlasr.o zlassq.o zlatrd.o zpotf2.o zpotrf.o zsteqr.o zung2l.o zung2r.o zungql.o zspcon.o zspmv.o zspr.o zsprfs.o zspsvx.o zsptrf.o zsptrs.o zlacon.o zlacpy.o zlansp.o zungbr.o zungl2.o zunglq.o zungqr.o zungtr.o zunm2r.o zunmbr.o zunml2.o zunmlq.o zunmqr.o zlarfx.o zunghr.o zlatrs.o zgebak.o zgebal.o zgeev.o zgehd2.o zgehrd.o zgesv.o zgetf2.o zgetrf.o zgetrs.o zhseqr.o zlahqr.o zlahrd.o zlange.o zlanhs.o dlabad.o ztrevc.o zlaswp.o zrot.o zlaqr3.o ztrexc.o zunmhr.o zlahr2.o zlaqr0.o zlaqr4.o zlartg.o zlaqr1.o xerbla.o zlaqr5.o zlaqr2.o lsame.o dgeev.o dgeevx.o dgebak.o dgebal.o dgehrd.o dtrsna.o dlaqtr.o dhseqr.o dorghr.o dtrevc.o dlaln2.o dlahqr.o dgehd2.o dlanhs.o dlarfx.o dlahrd.o dlanv2.o dlarra.o dlarrb.o dlarrc.o dlarrd.o dlarrf.o dlarrk.o dlarrv.o dlar1v.o dlaneg.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwclapack.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwclapack.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwclapack.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/lapack' Making libraries in NWints make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG intgrl_input.F Making all in api cando_sp.F:294:0: warning: "USE_TEXAS" redefined #define USE_TEXAS ^ <command-line>:19:0: note: this is the location of the previous definition make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS cando_sp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS exact_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS exactd_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_1cg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_1e3ov.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_1estv.F int_2e2c.F:56:0: warning: "USE_TEXAS" redefined #define USE_TEXAS ^ <command-line>:19:0: note: this is the location of the previous definition ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_2e2c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_2e3c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_acc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_canon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_chk_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_chk_sh.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_func_c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l1e3ov.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l1eall.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l1eh1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l1eke.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l1eov.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l1epe.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l2e2c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l2e3c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_lgen1e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_mpolel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_mpole.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_nint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_pgen1e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_projpole.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_term.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_1eh1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_1eov.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_1eke.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_1er.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_2e2c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_2e3c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_2e4c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_1e3ov.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intbd_init4c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intbd_2e4c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intbdd_init4c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intbdd_2e4c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_mpolel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intdd_1eh1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intdd_1eov.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intdd_2e2c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intdd_2e4c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intdd_2e3c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intdd_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intp_1eke.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intp_1eov.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intp_1epe.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intp_2e2c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intp_2e3c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intp_mpole.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intp_1e1cpe.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intp_2e3ct.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intp_mpolel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intp_txyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intpd_1e1cpe.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intpd_1eke.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intpd_1eov.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intpd_1epe.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intpd_2e2c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intpd_2e3c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intpd_2e3ct.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intpd_mpolel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intso_1e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_1eso.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_1epvpe.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_1epxvpe.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_vstat1e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intdd_1eecp1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_1eelec.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_giaoh01.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_giaoh11.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_giaol10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_giaos10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_giaotv10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_giaobq10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_giao_2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_pso.F intd_1epot_cosmo.F:140.48: & scrsize,scr(offset),nint,H1a,efc_c,efc_q,nefc) 1 Warning: Rank mismatch in argument 'efc_q' at (1) (scalar and rank-1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_dso.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_1epot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intd_1epot_cosmo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_veloc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_angmom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_giaos100.F int_hf1sp.F:583:56: warning: backslash and newline separated by space c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ ^ make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_hf1sp.F int_hf1sp.F:674:0: note: loop vectorized int_hf1sp.F:674:0: note: loop versioned for vectorization because of possible aliasing int_hf1sp.F:674:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_l2e4c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intb_init4c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS intb_2e4c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS int_2e4c.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/api' Making all in int make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' hf3PEabc.F:79:0: note: loop vectorized hf3PEabc.F:79:0: note: loop peeled for vectorization to enhance alignment make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf3PEabc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf3mkr.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf3pot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG defNxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG getNxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG matchNxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf1.F hf1mke3.f:200:0: note: loop vectorized hf1mke3.f:200:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:200:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:188:0: note: loop vectorized hf1mke3.f:188:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:188:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:179:0: note: loop vectorized hf1mke3.f:179:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:179:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:154:0: note: loop vectorized hf1mke3.f:154:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:154:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:142:0: note: loop vectorized hf1mke3.f:142:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:142:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:133:0: note: loop vectorized hf1mke3.f:133:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:133:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:112:0: note: loop vectorized hf1mke3.f:112:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:112:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:100:0: note: loop vectorized hf1mke3.f:100:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:100:0: note: loop peeled for vectorization to enhance alignment hf1mke3.f:91:0: note: loop vectorized hf1mke3.f:91:0: note: loop versioned for vectorization because of possible aliasing hf1mke3.f:91:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf1mke3.f hf1mkr.f:148:0: note: loop vectorized hf1mkr.f:148:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf1mkr.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf1set3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2.F hf2mkr.F:147:0: note: loop vectorized hf2mkr.F:147:0: note: loop peeled for vectorization to enhance alignment hf2mkr.F:147:0: note: loop vectorized hf2mkr.F:147:0: note: loop peeled for vectorization to enhance alignment hf2oi.f:185:0: note: loop vectorized hf2oi.f:185:0: note: loop peeled for vectorization to enhance alignment hfabc.f:67:0: note: loop vectorized hfabc.f:67:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2mkr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf2oi.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf3OIs.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfabc.f hferi.F:176:0: note: loop vectorized hferi.F:176:0: note: loop peeled for vectorization to enhance alignment hferi.F:182:0: note: loop vectorized hferi.F:182:0: note: loop peeled for vectorization to enhance alignment hferi.F:189:0: note: loop vectorized hferi.F:189:0: note: loop peeled for vectorization to enhance alignment hferi.F:195:0: note: loop vectorized hferi.F:195:0: note: loop peeled for vectorization to enhance alignment hferi.F:103:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfctr3.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hferi.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hferi_gen.F hferi_gen.F:293:0: note: loop vectorized hferi_gen.F:293:0: note: loop peeled for vectorization to enhance alignment hferi_gen.F:271:0: note: loop vectorized hferi_gen.F:271:0: note: loop peeled for vectorization to enhance alignment hferi_gen.F:210:0: note: loop vectorized hferi_gen.F:210:0: note: loop peeled for vectorization to enhance alignment hferi_gen.F:192:0: note: loop vectorized hferi_gen.F:192:0: note: loop peeled for vectorization to enhance alignment hferi_gen.F:161:0: note: loop vectorized hferi_gen.F:161:0: note: loop peeled for vectorization to enhance alignment hferi_gen.F:168:0: note: loop vectorized hferi_gen.F:168:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfkei.f hfkei.f:395:0: note: loop vectorized hfkei.f:395:0: note: loop peeled for vectorization to enhance alignment hfmke.F:73:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfmke.F hfmkr.F:101:0: note: loop vectorized hfmkr.F:101:0: note: loop versioned for vectorization because of possible aliasing hfmkr.F:101:0: note: loop peeled for vectorization to enhance alignment hfmkr.F:112:0: note: loop vectorized hfmkr.F:112:0: note: loop versioned for vectorization because of possible aliasing hfmkr.F:112:0: note: loop peeled for vectorization to enhance alignment hfmkr.F:126:0: note: loop vectorized hfmkr.F:126:0: note: loop versioned for vectorization because of possible aliasing hfmkr.F:126:0: note: loop peeled for vectorization to enhance alignment hfmkr.F:137:0: note: loop vectorized hfmkr.F:137:0: note: loop versioned for vectorization because of possible aliasing hfmkr.F:137:0: note: loop peeled for vectorization to enhance alignment hfmkr.F:151:0: note: loop vectorized hfmkr.F:151:0: note: loop versioned for vectorization because of possible aliasing hfmkr.F:151:0: note: loop peeled for vectorization to enhance alignment hfmkr.F:162:0: note: loop vectorized hfmkr.F:162:0: note: loop versioned for vectorization because of possible aliasing hfmkr.F:162:0: note: loop peeled for vectorization to enhance alignment hfnai.f:249:0: note: loop vectorized hfnai.f:249:0: note: loop versioned for vectorization because of possible aliasing hfnai.f:249:0: note: loop peeled for vectorization to enhance alignment hfnai.f:227:0: note: loop vectorized hfnai.f:227:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfmkr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfnai.f hfreord_pq.f:21:0: note: loop vectorized hfreord_pq.f:21:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG igamma.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf_print.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfreord_pq.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf1_tran.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf1_er.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfnai_er.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG case_impl.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/int' Making all in auxil make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG do_chk_sum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG intb_chk_sum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xlmcoeff.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xlm_norm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_spcart2.F make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_norm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nmcoef.F nmcoef.F:85:0: note: loop vectorized nmcoef.F:85:0: note: loop peeled for vectorization to enhance alignment nmcoef.F:55:0: note: loop vectorized nmcoef.F:55:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_norm_2c.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_chk_sum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_spcart.F int_spcart.F:3035:0: note: loop vectorized int_spcart.F:3035:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:941:0: note: loop vectorized int_spcart.F:941:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:828:0: note: loop vectorized int_spcart.F:828:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:1025:0: note: loop vectorized int_spcart.F:1025:0: note: loop versioned for vectorization because of possible aliasing int_spcart.F:1025:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:710:0: note: loop vectorized int_spcart.F:710:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:386:0: note: loop vectorized int_spcart.F:386:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:386:0: note: loop vectorized int_spcart.F:386:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:420:0: note: loop vectorized int_spcart.F:420:0: note: loop peeled for vectorization to enhance alignment int_spcart.F:102:0: note: loop vectorized int_spcart.F:3098:0: note: loop vectorized int_spcart.F:3098:0: note: loop peeled for vectorization to enhance alignment nmcoef2c.F:90:0: note: loop vectorized nmcoef2c.F:90:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nmcoef2c.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/auxil' Making all in ints_sp make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp1111.F init70.F:13:0: note: basic block vectorized sinfo.F:170:0: note: loop vectorized sinfo.F:170:0: note: loop peeled for vectorization to enhance alignment sinfo.F:177:0: note: loop vectorized sinfo.F:177:0: note: loop peeled for vectorization to enhance alignment sinfo.F:184:0: note: loop vectorized sinfo.F:184:0: note: loop peeled for vectorization to enhance alignment sinfo.F:148:0: note: loop vectorized sinfo.F:155:0: note: loop vectorized sinfo.F:162:0: note: loop vectorized sinfo.F:118:0: note: loop vectorized sinfo.F:118:0: note: loop peeled for vectorization to enhance alignment sinfo.F:125:0: note: loop vectorized sinfo.F:125:0: note: loop peeled for vectorization to enhance alignment sinfo.F:132:0: note: loop vectorized sinfo.F:132:0: note: loop peeled for vectorization to enhance alignment sinfo.F:96:0: note: loop vectorized sinfo.F:103:0: note: loop vectorized sinfo.F:110:0: note: loop vectorized make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG genr70.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG init70.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qout70.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sinfo.F sp0011.F:219:0: note: loop vectorized sp0011.F:219:0: note: loop peeled for vectorization to enhance alignment sp0101.F:257:0: note: loop vectorized sp0101.F:257:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp0000.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp0001.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp0011.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp0101.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sp0111.F sp0111.F:416:0: note: loop vectorized sp0111.F:416:0: note: loop peeled for vectorization to enhance alignment tabgen.f:64:0: note: loop vectorized tabgen.f:48:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec tabgen.f make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ints_sp' Making all in deriv make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf1d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d.F hf2d.F:465:0: note: basic block vectorized hfderi.F:279:0: note: loop vectorized hfderi.F:279:0: note: loop peeled for vectorization to enhance alignment hfderi.F:286:0: note: loop vectorized hfderi.F:286:0: note: loop versioned for vectorization because of possible aliasing hfderi.F:286:0: note: loop peeled for vectorization to enhance alignment hfderi.F:337:0: note: loop vectorized hfderi.F:337:0: note: loop peeled for vectorization to enhance alignment hfderi.F:348:0: note: loop vectorized hfderi.F:348:0: note: loop peeled for vectorization to enhance alignment hfderi.F:359:0: note: loop vectorized hfderi.F:359:0: note: loop versioned for vectorization because of possible aliasing hfderi.F:359:0: note: loop peeled for vectorization to enhance alignment hfderi.F:192:0: note: loop vectorized hfderi.F:192:0: note: loop peeled for vectorization to enhance alignment hfderi.F:196:0: note: loop vectorized hfderi.F:196:0: note: loop peeled for vectorization to enhance alignment hfderi.F:207:0: note: loop vectorized hfderi.F:207:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfd2oi.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfderi.F hfderi.F: In function 'hfderi': hfderi.F:246:0: warning: 'ij' may be used uninitialized in this function [-Wmaybe-uninitialized] if( kl.gt.ij ) go to 480 ^ hfderi.F:120:0: note: 'ij' was declared here ij = (ma*(ma-1))/2 + mb ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfdkei.F hfefi.f:40:0: note: loop vectorized hfefi.f:40:0: note: loop versioned for vectorization because of possible aliasing hfefi.f:40:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfdnai.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hfefi.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d_2a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d_2b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d_2a2b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d_3a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d_3a2b.F hf1PRtoAB.f:40:0: note: loop vectorized hf1PRtoAB.f:40:0: note: loop peeled for vectorization to enhance alignment hf1PRtoAB.f:60:0: note: loop vectorized hf1PRtoAB.f:49:0: note: loop vectorized hf2PRtoAB.f:42:0: note: loop vectorized hf2PRtoAB.f:42:0: note: loop peeled for vectorization to enhance alignment hf2PRtoAB.f:75:0: note: loop vectorized hf2PRtoAB.f:58:0: note: loop vectorized hf2PRtoAB.f:58:0: note: loop versioned for vectorization because of possible aliasing hf2QStoCD.f:41:0: note: loop vectorized hf2QStoCD.f:41:0: note: loop peeled for vectorization to enhance alignment hf2QStoCD.f:72:0: note: loop vectorized hf2QStoCD.f:57:0: note: loop vectorized hf2QStoCD.f:57:0: note: loop versioned for vectorization because of possible aliasing hf2QStoCD.f:50:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf2d_all.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf1PRtoAB.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf2PRtoAB.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec hf2QStoCD.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hfd3oi.F hfd3oi.F:412:0: note: loop vectorized hfd3oi.F:412:0: note: loop peeled for vectorization to enhance alignment hfd3oi.F:400:0: note: loop vectorized hfd3oi.F:400:0: note: loop peeled for vectorization to enhance alignment hfd3oi.F:383:0: note: loop vectorized hfd3oi.F:383:0: note: loop peeled for vectorization to enhance alignment hfd3oi.F:371:0: note: loop vectorized hfd3oi.F:371:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hf1d_cosmo.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/deriv' Making all in texas make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS abcd.F make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS texas_face.F texas_face.F:1064.28: * dbl_mb(k_txs_tempr), 1 Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(8) texas_face.F:1568.19: common /ganz/ ll9(9) ,na,nn4(4) 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (112 vs 672 bytes) texas_face.F:1161.19: common /ganz/ lcore,iov,last,nganz(67) 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (560 vs 672 bytes) texas_face.F:523.25: common /ctxs_index/ maxsh,ifp,inx(mxsh) 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (1520016 vs 24 bytes) texas_face.F:1773.25: common /ctxs_index/ maxsh,ifp,inx(1) 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) texas_face.F:1933.25: common /ctxs_index/ maxsh,ifp,inx(1) 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) texas_face.F:1241:0: note: loop vectorized texas_face.F:1241:0: note: loop peeled for vectorization to enhance alignment texas_face.F:1229:0: note: loop vectorized texas_face.F:1190:0: note: basic block vectorized texas_face.F:733:0: note: loop vectorized texas_face.F:733:0: note: loop peeled for vectorization to enhance alignment texas_face.F:200:0: note: basic block vectorized texas_hf.F:936.18: call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937.18: call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938.18: call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939.18: call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941.11: * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:434.26: call txs_pnl(nquart,dbl_mb(ncshell), 1 Warning: Type mismatch in argument 'ncshell' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:468.11: * bl(ijblock),bl(klblock),bl(ijpres2),bl(klpres2), 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:484.50: * isize,jsize,ksize,lsize,bl(itxspnl), 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493.33: call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) 1 Warning: Type mismatch in argument 'isbl_size' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:500.35: call supblks_split(bl,nquart,bl(mxsize),bl(mxpair), 1 Warning: Type mismatch in argument 'maxsize' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:509.40: call request_split(leri,inx, nbl2,bl(ijblock),bl(klblock), 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521.26: call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:878:0: note: loop vectorized texas_hf.F:878:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1468:0: note: loop vectorized texas_hf.F:1468:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1020:0: note: loop vectorized texas_hf.F:1020:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:878:0: note: loop vectorized texas_hf.F:878:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:878:0: note: loop vectorized texas_hf.F:878:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:878:0: note: loop vectorized texas_hf.F:878:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS texas_hf.F texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1378:0: note: loop vectorized texas_hf.F:1378:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1353:0: note: loop vectorized texas_hf.F:1353:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1333:0: note: loop vectorized texas_hf.F:1333:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1313:0: note: loop vectorized texas_hf.F:1313:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1293:0: note: loop vectorized texas_hf.F:1293:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:1407:0: note: loop vectorized texas_hf.F:1407:0: note: loop peeled for vectorization to enhance alignment texas_hf.F:342:0: note: basic block vectorized big_service.F:353:0: note: loop vectorized big_service.F:353:0: note: loop versioned for vectorization because of possible aliasing big_service.F:353:0: note: loop peeled for vectorization to enhance alignment big_service.F:279:0: note: loop vectorized big_service.F:279:0: note: loop peeled for vectorization to enhance alignment big_service.F:168:0: note: loop vectorized big_service.F:37:0: note: loop vectorized big_service.F:37:0: note: loop peeled for vectorization to enhance alignment big_service.F:593:0: note: loop vectorized big_service.F:593:0: note: loop versioned for vectorization because of possible aliasing big_service.F:593:0: note: loop peeled for vectorization to enhance alignment big_service.F:565:0: note: loop vectorized big_service.F:565:0: note: loop versioned for vectorization because of possible aliasing big_service.F:565:0: note: loop peeled for vectorization to enhance alignment big_service.F:527:0: note: loop vectorized big_service.F:527:0: note: loop peeled for vectorization to enhance alignment big_service.F:490:0: note: loop vectorized big_service.F:490:0: note: loop versioned for vectorization because of possible aliasing big_service.F:490:0: note: loop peeled for vectorization to enhance alignment big_service.F:488:0: note: loop vectorized big_service.F:488:0: note: loop peeled for vectorization to enhance alignment big_service.F:467:0: note: loop vectorized big_service.F:460:0: note: loop vectorized big_service.F:460:0: note: loop peeled for vectorization to enhance alignment big_service.F:456:0: note: loop vectorized big_service.F:437:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS big_service.F big_service.F:657:0: note: loop vectorized big_service.F:657:0: note: loop peeled for vectorization to enhance alignment big_service.F:717:0: note: loop vectorized big_service.F:717:0: note: loop peeled for vectorization to enhance alignment big_service.F:743:0: note: loop vectorized big_service.F:743:0: note: loop peeled for vectorization to enhance alignment big_service.F:995:0: note: loop vectorized big_service.F:983:0: note: loop vectorized big_service.F:958:0: note: loop vectorized big_service.F:941:0: note: loop vectorized big_service.F:932:0: note: loop vectorized big_service.F:1090:0: note: loop vectorized big_service.F:1085:0: note: loop vectorized big_service.F:1085:0: note: loop peeled for vectorization to enhance alignment big_service.F:1146:0: note: loop vectorized big_service.F:1141:0: note: loop vectorized big_service.F:1141:0: note: loop peeled for vectorization to enhance alignment big_service.F:1199:0: note: loop vectorized big_service.F:1194:0: note: loop vectorized big_service.F:1194:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS getmem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS amshift.F amshift.F:82.22: call make_indxx(bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:141.16: * bl(indxx),lni*lnj,lnk*lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:168.27: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:180.31: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:195.31: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:219.23: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:251.23: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:299.23: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:341.23: * bl(indxx),lni,lnj,lnk,lnl) 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:1671:0: note: loop vectorized amshift.F:1671:0: note: loop versioned for vectorization because of possible aliasing amshift.F:1671:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:366:0: note: loop vectorized amshift.F:366:0: note: loop versioned for vectorization because of possible aliasing amshift.F:366:0: note: loop peeled for vectorization to enhance alignment amshift.F:2179:0: note: loop vectorized amshift.F:2179:0: note: loop versioned for vectorization because of possible aliasing amshift.F:2179:0: note: loop peeled for vectorization to enhance alignment amshift.F:2176:0: note: loop vectorized amshift.F:2176:0: note: loop versioned for vectorization because of possible aliasing amshift.F:2176:0: note: loop peeled for vectorization to enhance alignment amshift.F:2042:0: note: loop vectorized amshift.F:2042:0: note: loop versioned for vectorization because of possible aliasing amshift.F:2042:0: note: loop peeled for vectorization to enhance alignment amshift.F:2039:0: note: loop vectorized amshift.F:2039:0: note: loop versioned for vectorization because of possible aliasing amshift.F:2039:0: note: loop peeled for vectorization to enhance alignment amshift.F:2179:0: note: loop vectorized amshift.F:2179:0: note: loop versioned for vectorization because of possible aliasing amshift.F:2179:0: note: loop peeled for vectorization to enhance alignment amshift.F:2176:0: note: loop vectorized amshift.F:2176:0: note: loop versioned for vectorization because of possible aliasing amshift.F:2176:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec assemblx.f assemblx.f:55.34: * bl(ibuf2),bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:63.49: * bl(ibut2),bl(indx), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:68.49: * bl(ibut2),bl(indx), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:75.49: * bl(ibut2),bl(indx), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:80.49: * bl(ibut2),bl(indx), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:90.41: * bl(ibut2),bl(indx), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:95.41: * bl(ibut2),bl(indx), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:680.17: * bl(idx1),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:698.17: * bl(idx1),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:715.17: * bl(idx2),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:733.17: * bl(idx2),bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:748.23: * bl(idx1),bl(indx),ij3b,kl3b) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:761.23: * bl(idx2),bl(indx), ij3b,kl3b) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:773.21: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:785.21: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:797.21: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:809.21: * bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:824.40: * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:835.40: * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:846.40: * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:857.40: * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:868.42: * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1438.24: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1456.24: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1473.24: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1491.24: * bl(indx), ijenx,klenx) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1506.24: * bl(indx),ij3b,kl3b) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1519.24: * bl(indx), ij3b,kl3b) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1531.23: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1543.23: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1555.23: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1567.23: * bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1582.32: * lck,lcij,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1593.32: * lcl,lcij,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1604.32: * lci,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1615.32: * lcj,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:1626.33: * lcij,lckl,bl(indx)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.f:2150:0: note: loop vectorized assemblx.f:2150:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:2150:0: note: loop peeled for vectorization to enhance alignment assemblx.f:2143:0: note: loop vectorized assemblx.f:2143:0: note: loop peeled for vectorization to enhance alignment assemblx.f:2133:0: note: loop vectorized assemblx.f:2133:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:2133:0: note: loop peeled for vectorization to enhance alignment assemblx.f:2177:0: note: loop vectorized assemblx.f:2177:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:2177:0: note: loop peeled for vectorization to enhance alignment assemblx.f:2170:0: note: loop vectorized assemblx.f:2170:0: note: loop peeled for vectorization to enhance alignment assemblx.f:2160:0: note: loop vectorized assemblx.f:2160:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:2160:0: note: loop peeled for vectorization to enhance alignment assemblx.f:382:0: note: loop vectorized assemblx.f:382:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:382:0: note: loop peeled for vectorization to enhance alignment assemblx.f:375:0: note: loop vectorized assemblx.f:375:0: note: loop peeled for vectorization to enhance alignment assemblx.f:365:0: note: loop vectorized assemblx.f:365:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:365:0: note: loop peeled for vectorization to enhance alignment assemblx.f:409:0: note: loop vectorized assemblx.f:409:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:409:0: note: loop peeled for vectorization to enhance alignment assemblx.f:402:0: note: loop vectorized assemblx.f:402:0: note: loop peeled for vectorization to enhance alignment assemblx.f:392:0: note: loop vectorized assemblx.f:392:0: note: loop versioned for vectorization because of possible aliasing assemblx.f:392:0: note: loop peeled for vectorization to enhance alignment assemblx.f:158:0: note: loop vectorized assemblx.f:158:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS spec_block.F spec_block.F:84.22: * bl(nblock1),nbl1,nbl2,nbl4) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94.38: call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114.31: call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:121.40: call blksizer(inx,ncs,nbl2,iroute,bl(nblock1),bl(npard), 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41.30: call block_info(inx,bl(nblock1),bl(npard),nbl2) 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1631.20: * bl(nqrtd),bl(nibld),bl(nkbld),bl(nijbd),bl(nijed), 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1788:0: note: basic block vectorized spec_block.F:1584:0: note: loop vectorized spec_block.F:1584:0: note: loop peeled for vectorization to enhance alignment spec_block.F:1569:0: note: loop vectorized spec_block.F:1569:0: note: loop peeled for vectorization to enhance alignment spec_block.F:1518:0: note: loop vectorized spec_block.F:1133:0: note: loop vectorized spec_block.F:1123:0: note: loop vectorized spec_block.F:790:0: note: basic block vectorized spec_block.F: In function 'blksizer': spec_block.F:2305:0: warning: 'nfunct' may be used uninitialized in this function [-Wmaybe-uninitialized] functf=dble(nfunct)/dble(nfijkl) ^ spec_block.F:2282:0: note: 'nfunct' was declared here nfunct= limitfp(mmax) ^ spec_block.F:2301:0: warning: 'nqrt_limit' may be used uninitialized in this function [-Wmaybe-uninitialized] xqrt_limit=cachef*dble(nqrt_limit) ^ spec_block.F:326:0: note: 'nqrt_limit' was declared here * itype1,jtype1,ktype1,ltype1, nqrt_limit) ^ spec_block.F:2059:0: note: loop vectorized spec_block.F:2059:0: note: loop peeled for vectorization to enhance alignment spec_block.F: In function 'get_limit': spec_block.F:2305:0: warning: 'nfunct' may be used uninitialized in this function [-Wmaybe-uninitialized] functf=dble(nfunct)/dble(nfijkl) ^ spec_block.F:2059:0: note: loop vectorized spec_block.F:2059:0: note: loop peeled for vectorization to enhance alignment spec_block.F:1788:0: note: basic block vectorized cshneg.f:59:0: note: loop vectorized cshneg.f:59:0: note: loop vectorized cshneg.f:59:0: note: loop vectorized d_datlog.F:149:0: note: loop vectorized d_datlog.F:129:0: note: loop vectorized d_datlog.F:129:0: note: loop peeled for vectorization to enhance alignment spec_calcint.F:103.24: call doblock2(ibl,bl(ijblock),idoit) 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:107.26: call doblock2(kbl,bl(klblock),jdoit) 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111.32: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114.28: call dosupblk(isupb,bl(isblsize),bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:127.33: call get_nparts(isupb,bl(isbl_part),nparts) 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134.40: call copy_block(isbl_size,bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136.44: call check_in(isupb,isbl_size,bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234.33: * nij_uniqe, bl(ij_uniqe_p), 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158.40: * isbl_size,bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:380.30: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:387.38: call block1_pnl(isupb,isbl_size,bl(isblqrts),isbl_point,maxsize, 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:407.39: call doquarts(isupb,isbl_size,bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551.38: call indexp_pnl(isupb,isbl_size,bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1238.30: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1242.44: call get_nbls_n0(isbl_size,isbl_point,bl(isblqrts), 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1794.32: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1816.30: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1820.44: call get_nbls_n0(isbl_size,isbl_point,bl(isblqrts), 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:894.30: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:898.44: call get_nbls_n0(isbl_size,isbl_point,bl(isblqrts), 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1405.32: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1456.30: call get_nbls_pnl(isupb,bl(isblsize),bl(isblpoint), 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1460.44: call get_nbls_n0(isbl_size,isbl_point,bl(isblqrts), 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:252.40: call oneblock(isupb,ikbl,bl, bl(nibld),bl(nkbld), 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:179.32: call check_out(isupb,bl(isblsize),bl(isblqrts),isbl_point, 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:39.34: call blockint(bl,nbl2,inx,bl(nblock1),bl(npard), 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec cshneg.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS d_datlog.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS spec_calcint.F spec_calcint.F:1921:0: note: loop vectorized spec_calcint.F:1921:0: note: loop peeled for vectorization to enhance alignment spec_calcint.F:2081:0: note: loop vectorized spec_calcint.F:2081:0: note: loop versioned for vectorization because of possible aliasing spec_calcint.F:2081:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS spec_destiny.F spec_destiny.F:1883:0: note: loop vectorized spec_destiny.F:1883:0: note: loop peeled for vectorization to enhance alignment spec_destiny.F:1870:0: note: loop vectorized spec_destiny.F:1870:0: note: loop peeled for vectorization to enhance alignment spec_destiny.F:1854:0: note: loop vectorized spec_destiny.F:1854:0: note: loop peeled for vectorization to enhance alignment spec_destiny.F:1955:0: note: loop vectorized spec_destiny.F:1955:0: note: loop peeled for vectorization to enhance alignment spec_destiny.F:1962:0: note: basic block vectorized spec_destiny.F:1971:0: note: basic block vectorized spec_destiny.F:1980:0: note: basic block vectorized spec_destiny.F:1995:0: note: basic block vectorized spec_destiny.F:2010:0: note: basic block vectorized spec_destiny.F:2025:0: note: basic block vectorized spec_destiny.F:2040:0: note: basic block vectorized spec_destiny.F:1907:0: note: basic block vectorized spec_destiny.F:1912:0: note: basic block vectorized spec_destiny.F:323:0: note: loop vectorized spec_destiny.F:323:0: note: loop peeled for vectorization to enhance alignment spec_destiny.F: In function 'desthul': spec_destiny.F:344:0: warning: 'iix[3]' may be used uninitialized in this function [-Wmaybe-uninitialized] lcfx(integ_n0)=iix(4) ^ spec_destiny.F:343:0: warning: 'iix[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] kcfx(integ_n0)=iix(3) ^ spec_destiny.F:342:0: warning: 'iix[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] jcfx(integ_n0)=iix(2) ^ spec_destiny.F:341:0: warning: 'iix[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] icfx(integ_n0)=iix(1) ^ spec_destiny.F: In function 'destdul': spec_destiny.F:1118:0: warning: 'iix[3]' may be used uninitialized in this function [-Wmaybe-uninitialized] lcfx(integ_n0)=iix(4) ^ spec_destiny.F:1117:0: warning: 'iix[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] kcfx(integ_n0)=iix(3) ^ spec_destiny.F:1116:0: warning: 'iix[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] jcfx(integ_n0)=iix(2) ^ spec_destiny.F:1115:0: warning: 'iix[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] icfx(integ_n0)=iix(1) ^ memoha.F:393:0: note: loop vectorized memoha.F:383:0: note: loop vectorized memoha.F:120:0: note: basic block vectorized precalc2.F:34.34: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:42.34: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:75.34: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:83.34: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:314.30: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:319.35: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:338.34: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:343.38: * nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:353.31: * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:359.31: * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1357.31: * nij_uniqe,bl(ij_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1381.34: * nkl_uniqe,bl(kl_uniqe_p) ) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1401.31: * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:2302:0: note: loop vectorized precalc2.F:2280:0: note: loop vectorized precalc2.F:1753:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS memoha.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS precalc2.F precalc2.F:1699:0: note: loop vectorized precalc2.F:1699:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:1699:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1661:0: note: loop vectorized precalc2.F:1661:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:1661:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1661:0: note: loop vectorized precalc2.F:1661:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:1661:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1679:0: note: loop vectorized precalc2.F:1679:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:1679:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1679:0: note: loop vectorized precalc2.F:1679:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:1679:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1587:0: note: loop vectorized precalc2.F:1587:0: note: loop peeled for vectorization to enhance alignment precalc2.F: In function 'precal2a_2': precalc2.F:1641:0: warning: 'factab' may be used uninitialized in this function [-Wmaybe-uninitialized] factab=factab*contrij ^ precalc2.F:1636:0: warning: 'est_jp' may be used uninitialized in this function [-Wmaybe-uninitialized] fctpp= abs( est_ip*est_jp ) ^ precalc2.F:1634:0: warning: 'est_is' may be used uninitialized in this function [-Wmaybe-uninitialized] fctsp= abs( est_is*est_jp ) ^ precalc2.F:1636:0: warning: 'est_ip' may be used uninitialized in this function [-Wmaybe-uninitialized] fctpp= abs( est_ip*est_jp ) ^ precalc2.F:2549:0: note: loop vectorized precalc2.F:2515:0: note: loop vectorized precalc2.F:734:0: note: loop vectorized precalc2.F:734:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:734:0: note: loop peeled for vectorization to enhance alignment precalc2.F:660:0: note: loop vectorized precalc2.F:660:0: note: loop peeled for vectorization to enhance alignment precalc2.F:655:0: note: loop vectorized precalc2.F:655:0: note: loop peeled for vectorization to enhance alignment precalc2.F:643:0: note: loop vectorized precalc2.F:643:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:643:0: note: loop peeled for vectorization to enhance alignment precalc2.F: In function 'precal2a_1': precalc2.F:588:0: warning: 'factab' may be used uninitialized in this function [-Wmaybe-uninitialized] factab=factab*contrij ^ precalc2.F:583:0: warning: 'est_jp' may be used uninitialized in this function [-Wmaybe-uninitialized] fctpp= abs( est_ip*est_jp ) ^ precalc2.F:583:0: warning: 'est_ip' may be used uninitialized in this function [-Wmaybe-uninitialized] precalc2.F:103:0: note: basic block vectorized precalc2.F:660:0: note: loop vectorized precalc2.F:660:0: note: loop peeled for vectorization to enhance alignment precalc2.F:655:0: note: loop vectorized precalc2.F:655:0: note: loop peeled for vectorization to enhance alignment precalc2.F:643:0: note: loop vectorized precalc2.F:643:0: note: loop versioned for vectorization because of possible aliasing precalc2.F:643:0: note: loop peeled for vectorization to enhance alignment precalc2.F: In function 'precalc2_1': precalc2.F:588:0: warning: 'factab' may be used uninitialized in this function [-Wmaybe-uninitialized] factab=factab*contrij ^ precalc2.F:566:0: note: 'factab' was declared here factab=abs( est_is*est_js ) ^ precalc2.F:583:0: warning: 'est_jp' may be used uninitialized in this function [-Wmaybe-uninitialized] fctpp= abs( est_ip*est_jp ) ^ precalc2.F:521:0: note: 'est_jp' was declared here est_jp=1.d0 ^ precalc2.F:583:0: warning: 'est_ip' may be used uninitialized in this function [-Wmaybe-uninitialized] fctpp= abs( est_ip*est_jp ) ^ precalc2.F:492:0: note: 'est_ip' was declared here est_ip=1.d0 ^ precalc2.F:1083:0: note: loop vectorized precalc2.F:1083:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1149:0: note: loop vectorized precalc2.F:1149:0: note: loop peeled for vectorization to enhance alignment precalc2.F:1753:0: note: loop vectorized precalc2.F:2079:0: note: loop vectorized precalc2.F:2079:0: note: loop peeled for vectorization to enhance alignment precalc2.F:2141:0: note: loop vectorized precalc2.F:2141:0: note: loop peeled for vectorization to enhance alignment precalc2.F:2137:0: note: loop vectorized precalc2.F:2137:0: note: loop peeled for vectorization to enhance alignment precalc2.F:2131:0: note: loop vectorized precalc2.F:2131:0: note: loop peeled for vectorization to enhance alignment precalc2.F:2125:0: note: loop vectorized precalc2.F:2125:0: note: loop peeled for vectorization to enhance alignment precalc2.F:2119:0: note: loop vectorized precalc2.F:2119:0: note: loop peeled for vectorization to enhance alignment precalc2.F:2704:0: note: loop vectorized precalc2.F:2704:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS prepint.F lab_reorder.F:230:0: note: loop vectorized lab_reorder.F:230:0: note: loop peeled for vectorization to enhance alignment lab_reorder.F:25:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS lab_reorder.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS rt123.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec shells.f shells.f:151:0: note: basic block vectorized zeroint.f:41.29: call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) zeroint.f:45.41: call zerosp(lnijkl,nbls,bl(ibuf),bl(idxnot),nbls2,ngcd) 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:56.43: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:68.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:84.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:99.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:114.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:130.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:144.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:158.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:172.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:186.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:200.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:216.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:228.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:240.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:252.46: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.f:267.43: call zerout(narr,nbls,nbls2,ngcd, bl(idxnot), 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) texas_stubs.F:7:0: warning: "USE_TEXAS" redefined #define USE_TEXAS ^ <command-line>:19:0: note: this is the location of the previous definition uniq_pairs.F:73.47: call do_tmp1(isbl_size,isbl_q,ijpres2,bl(ij_temp),iqu ) 1 Warning: Type mismatch in argument 'ij_temp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:74.26: call do_uniq(iqu,bl(ij_temp), ibl_uniqe ,ij_u) 1 Warning: Type mismatch in argument 'itmp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:40.29: * bl(ij_uniqe) , nij_uniqe ) 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:42.29: * bl(kl_uniqe) , nkl_uniqe ) 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec time.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec zeroint.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec missing.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS texas_stubs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS uniq_pairs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS transfor.F gencon.f:354.25: * bl(indx),nbls1, ngcd,bl(igcoet) ) 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:366.36: call coef_x_exp(nbls,nbls1,bl(indx),ngcd, 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:371.26: * bl(indx),nbls1, ngcd,bl(igcoet), 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:39:0: note: loop vectorized gencon.f:39:0: note: loop peeled for vectorization to enhance alignment gencon.f:65:0: note: loop vectorized gencon.f:65:0: note: loop peeled for vectorization to enhance alignment gencon.f:98:0: note: loop vectorized gencon.f:98:0: note: loop peeled for vectorization to enhance alignment gencon.f:161:0: note: loop vectorized gencon.f:161:0: note: loop peeled for vectorization to enhance alignment gencon.f:173:0: note: loop vectorized gencon.f:173:0: note: loop peeled for vectorization to enhance alignment gencon.f:248:0: note: loop vectorized gencon.f:248:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec gencon.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec derivat.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec convert.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec test_calc2.f screened_op.F:108:0: note: basic block vectorized trobsa.F:292.39: call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:329.34: call copy_unstable_1(nbls1,bl(iq_u),nbls1_u,bl(irys),bl(iconst)) 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:346.35: call copy_unstable_2(nbls1, bl(iq_u),nbls1_u, mmax_1, 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:362.35: call copy_unstable_2(nbls1, bl(iq_u),nbls1_u, mmax_1, 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:371.37: call copy_unstable_3(nbls1, bl(iq_u),nbls1_u,mmax, 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:381.34: call copy_unstable_4(nbls1, bl(iq_u),nbls1_u,nqij,nqkl, 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS screened_op.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_TEXAS trobsa.F trobsa.F:1333:0: note: loop vectorized trobsa.F:1333:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1339:0: note: loop vectorized trobsa.F:1339:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1352:0: note: loop vectorized trobsa.F:1352:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1357:0: note: loop vectorized trobsa.F:1357:0: note: loop peeled for vectorization to enhance alignment trobsa.F:712:0: note: loop vectorized trobsa.F:712:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:712:0: note: loop peeled for vectorization to enhance alignment trobsa.F:696:0: note: loop vectorized trobsa.F:696:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:696:0: note: loop peeled for vectorization to enhance alignment trobsa.F:696:0: note: loop vectorized trobsa.F:696:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:696:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1156:0: note: loop vectorized trobsa.F:1156:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1162:0: note: loop vectorized trobsa.F:1162:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1174:0: note: loop vectorized trobsa.F:1174:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1179:0: note: loop vectorized trobsa.F:1179:0: note: loop peeled for vectorization to enhance alignment trobsa.F:712:0: note: loop vectorized trobsa.F:712:0: note: loop peeled for vectorization to enhance alignment trobsa.F:696:0: note: loop vectorized trobsa.F:696:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1477:0: note: loop vectorized trobsa.F:1477:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1467:0: note: loop vectorized trobsa.F:1467:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:1467:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1445:0: note: loop vectorized trobsa.F:1445:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:1445:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1455:0: note: loop vectorized trobsa.F:1455:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:1455:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1477:0: note: loop vectorized trobsa.F:1477:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1467:0: note: loop vectorized trobsa.F:1467:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1445:0: note: loop vectorized trobsa.F:1445:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1455:0: note: loop vectorized trobsa.F:1455:0: note: loop peeled for vectorization to enhance alignment trobsa.F:724:0: note: loop vectorized trobsa.F:724:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:724:0: note: loop peeled for vectorization to enhance alignment trobsa.F:696:0: note: loop vectorized trobsa.F:696:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:696:0: note: loop peeled for vectorization to enhance alignment trobsa.F:696:0: note: loop vectorized trobsa.F:696:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:696:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1264:0: note: loop vectorized trobsa.F:1264:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:1264:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1241:0: note: loop vectorized trobsa.F:1241:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:1241:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1251:0: note: loop vectorized trobsa.F:1251:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:1251:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1264:0: note: loop vectorized trobsa.F:1264:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1241:0: note: loop vectorized trobsa.F:1241:0: note: loop peeled for vectorization to enhance alignment trobsa.F:1251:0: note: loop vectorized trobsa.F:1251:0: note: loop peeled for vectorization to enhance alignment trobsa.F:724:0: note: loop vectorized trobsa.F:724:0: note: loop peeled for vectorization to enhance alignment trobsa.F:735:0: note: loop vectorized trobsa.F:735:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:735:0: note: loop peeled for vectorization to enhance alignment trobsa.F:735:0: note: loop vectorized trobsa.F:735:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:735:0: note: loop peeled for vectorization to enhance alignment trobsa.F:544:0: note: loop vectorized trobsa.F:544:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:544:0: note: loop peeled for vectorization to enhance alignment trobsa.F:735:0: note: loop vectorized trobsa.F:735:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:735:0: note: loop peeled for vectorization to enhance alignment trobsa.F:544:0: note: loop vectorized trobsa.F:544:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:544:0: note: loop peeled for vectorization to enhance alignment trobsa.F:735:0: note: loop vectorized trobsa.F:735:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:735:0: note: loop peeled for vectorization to enhance alignment trobsa.F:544:0: note: loop vectorized trobsa.F:544:0: note: loop versioned for vectorization because of possible aliasing trobsa.F:544:0: note: loop peeled for vectorization to enhance alignment trobsa.F: In function 'trobsa_1': trobsa.F:314:0: warning: 'mmax_1' may be used uninitialized in this function [-Wmaybe-uninitialized] mmax_1=mmax-1 ^ make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/texas' Making all in ecp make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O ecp_sph_tens.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_ecp.F ecp_3j_prod.f:136:0: note: loop vectorized ecp_3j_prod.f:133:0: note: loop vectorized ecp_3j_prod.f:125:0: note: loop vectorized ecp_3j_prod.f:129:0: note: loop vectorized ecp_3j_prod.f:114:0: note: loop vectorized ecp_3j_prod.f:118:0: note: loop vectorized ecp_3j_prod.f:101:0: note: loop vectorized ecp_3j_prod.f:98:0: note: loop vectorized ecp_3j_prod.f:93:0: note: loop vectorized ecp_angrad.f:32:0: note: loop vectorized ecp_angrad.f:32:0: note: loop peeled for vectorization to enhance alignment make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_3j_prod.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_angint.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_angrad.f ecp_bess_asy.F:41:0: note: loop vectorized ecp_bess_asy.F:41:0: note: loop peeled for vectorization to enhance alignment ecp_bess_asy.F:30:0: note: loop vectorized ecp_bess_asy.F:30:0: note: loop peeled for vectorization to enhance alignment ecp_bess_pow.f:45:0: note: loop vectorized ecp_bess_pow.f:45:0: note: loop versioned for vectorization because of possible aliasing ecp_bess_pow.f:45:0: note: loop peeled for vectorization to enhance alignment ecp_c2snorm.F:43:0: note: loop vectorized ecp_c2snorm.F:43:0: note: loop versioned for vectorization because of possible aliasing ecp_c2snorm.F:43:0: note: loop peeled for vectorization to enhance alignment ecp_c2snorm.F:32:0: note: loop vectorized ecp_c2snorm.F:32:0: note: loop peeled for vectorization to enhance alignment ecp_c2snorm.F: In function 'ecp_c2snorm': ecp_c2snorm.F:42:0: warning: 'wa' may be used uninitialized in this function [-Wmaybe-uninitialized] wa = wa/sqrt(wb*wc) ^ ecp_c2snorm.F:20:0: note: 'wa' was declared here double precision wa,wb,wc,zero,half ^ ecp_c2srecur.f:65:0: note: loop vectorized ecp_c2srecur.f:65:0: note: loop versioned for vectorization because of possible aliasing ecp_c2srecur.f:65:0: note: loop peeled for vectorization to enhance alignment ecp_c2srecur.f:51:0: note: loop vectorized ecp_c2srecur.f:51:0: note: loop versioned for vectorization because of possible aliasing ecp_c2srecur.f:51:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_bess_asy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_bess_pow.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_bessel.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_c2slower.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_c2snorm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_c2srecur.f ecp_contract.f:32:0: note: loop vectorized ecp_contract.f:32:0: note: loop peeled for vectorization to enhance alignment ecp_down_m.f:29:0: note: loop vectorized ecp_down_m.f:29:0: note: loop peeled for vectorization to enhance alignment ecp_gaussq.f:461:0: note: basic block vectorized ecp_gaussq.f:228:0: note: loop vectorized ecp_gaussq.f:228:0: note: loop peeled for vectorization to enhance alignment ecp_gaussq.f:239:0: note: loop vectorized ecp_gaussq.f:239:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_cart_xpd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_contract.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_cstrans.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_down_m.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_gaussq.f ecp_gaussq.f:141:0: note: loop vectorized ecp_gaussq.f:141:0: note: loop peeled for vectorization to enhance alignment ecp_init_c2s.F:52:0: note: loop vectorized ecp_init_c2s.F:52:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_init_c2s.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_init_con.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_int0.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_int1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_int2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_integral.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_matpi.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_matpr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_radint0.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_radint1.F ecp_radint1.F:119:0: note: loop vectorized ecp_radint1.F:119:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_radint2.F ecp_t1_Q0asy.F:41:0: note: loop vectorized ecp_t1_Q0asy.F:41:0: note: loop versioned for vectorization because of possible aliasing ecp_t1_Q0asy.F:41:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_s2ccoef.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_s2cnorm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_so_ang.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q0asy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q0int.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q0pow.F ecp_t1_Q0pow.F:55:0: note: loop vectorized ecp_t1_Q0pow.F:55:0: note: loop versioned for vectorization because of possible aliasing ecp_t1_Q0pow.F:55:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q0pow.F:38:0: note: loop vectorized ecp_t1_Q0pow.F:38:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q0pow.F:32:0: note: loop vectorized ecp_t1_Q0pow.F:32:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q1asy.F:36:0: note: loop vectorized ecp_t1_Q1asy.F:36:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q1asy.F:27:0: note: loop vectorized ecp_t1_Q1asy.F:27:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q1pow.F:64:0: note: loop vectorized ecp_t1_Q1pow.F:64:0: note: loop versioned for vectorization because of possible aliasing ecp_t1_Q1pow.F:64:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q1pow.F:52:0: note: loop vectorized ecp_t1_Q1pow.F:52:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q1pow.F:44:0: note: loop vectorized ecp_t1_Q1pow.F:44:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q2int.F:25:0: note: loop vectorized ecp_t1_Q2int.F:25:0: note: loop peeled for vectorization to enhance alignment ecp_t2_ghq.F:48:0: note: loop vectorized ecp_t2_ghq.F:48:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q1asy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q1int.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q1pow.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q2int.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t2_ghq.F ecp_t2_init2.F:50:0: note: loop vectorized ecp_t2_init2.F:50:0: note: loop peeled for vectorization to enhance alignment ecp_t2_init2.F:39:0: note: loop vectorized ecp_t2_init2.F:39:0: note: loop peeled for vectorization to enhance alignment ecp_t2_p0pow.F:60:0: note: loop vectorized ecp_t2_p0pow.F:60:0: note: loop versioned for vectorization because of possible aliasing ecp_t2_p0pow.F:60:0: note: loop peeled for vectorization to enhance alignment ecp_t2_p0pow.F:60:0: note: loop vectorized ecp_t2_p0pow.F:60:0: note: loop versioned for vectorization because of possible aliasing ecp_t2_p0pow.F:60:0: note: loop peeled for vectorization to enhance alignment ecp_t2_p0pow.F:52:0: note: loop vectorized ecp_t2_p0pow.F:52:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_t2_init0.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_t2_init1.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t2_init2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t2_p0pow.F ecp_t2_p1pow.F:50:0: note: loop vectorized ecp_t2_p1pow.F:50:0: note: loop peeled for vectorization to enhance alignment ecp_up_k.f:46:0: note: loop vectorized ecp_up_k.f:46:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t2_p1pow.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_up_k.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_local0.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_local1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_local2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_locint1.F ecp_locint1.F:106:0: note: loop vectorized ecp_locint1.F:106:0: note: loop peeled for vectorization to enhance alignment ecp_locint1.F: In function 'ecp_locint1': ecp_locint1.F:56:0: warning: 'prefac' may be used uninitialized in this function [-Wmaybe-uninitialized] & coeff_c(n_c),tol,wa,wb,wc,prefac ^ ecp_t1_Q3asy.F:37:0: note: loop vectorized ecp_t1_Q3asy.F:37:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q3asy.F:27:0: note: loop vectorized ecp_t1_Q3asy.F:27:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q3pow.F:65:0: note: loop vectorized ecp_t1_Q3pow.F:65:0: note: loop versioned for vectorization because of possible aliasing ecp_t1_Q3pow.F:65:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q3pow.F:53:0: note: loop vectorized ecp_t1_Q3pow.F:53:0: note: loop peeled for vectorization to enhance alignment ecp_t1_Q3pow.F:42:0: note: loop vectorized ecp_t1_Q3pow.F:42:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_skipint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q3asy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q3int.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q3pow.F ecp_t1_Q4int.F:25:0: note: loop vectorized ecp_t1_Q4int.F:25:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t1_Q4int.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_t2_init3.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_t2_init4.f ecp_t2_p3pow.F:49:0: note: loop vectorized ecp_t2_p3pow.F:49:0: note: loop peeled for vectorization to enhance alignment ecp_t2_p4pow.F:49:0: note: loop vectorized ecp_t2_p4pow.F:49:0: note: loop peeled for vectorization to enhance alignment ecp_gradient.F:184:0: note: loop vectorized ecp_gradient.F:184:0: note: loop peeled for vectorization to enhance alignment ecp_gradient.F:177:0: note: loop vectorized ecp_gradient.F:177:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t2_p3pow.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_t2_p4pow.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ecp_ind_var.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_grad_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_grad_b.F ecp_hessian.F:224:0: note: loop vectorized ecp_hessian.F:224:0: note: loop versioned for vectorization because of possible aliasing ecp_hessian.F:224:0: note: loop peeled for vectorization to enhance alignment ecp_hessian.F:215:0: note: loop vectorized ecp_hessian.F:215:0: note: loop versioned for vectorization because of possible aliasing ecp_hessian.F:215:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_hessian.F ecp_local2_k.F:22:0: note: loop vectorized ecp_local2_k.F:22:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_int2_k.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ecp_local2_k.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/ecp' Making all in hondo make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_vstat.F hnd_whermt.F:52:0: note: loop vectorized hnd_whermt.F:52:0: note: loop versioned for vectorization because of possible aliasing hnd_whermt.F:52:0: note: loop peeled for vectorization to enhance alignment make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_whermt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_rt123.F hnd_droot.F:574:0: note: loop vectorized hnd_droot.F:574:0: note: loop peeled for vectorization to enhance alignment hnd_droot.F:637:0: note: loop vectorized hnd_droot.F:637:0: note: loop peeled for vectorization to enhance alignment hnd_droot.F:630:0: note: loop vectorized hnd_droot.F:630:0: note: loop peeled for vectorization to enhance alignment hnd_droot.F:384:0: note: loop vectorized hnd_droot.F:361:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_root4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_root5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_droot.F hnd_droot.F:215:0: note: loop vectorized hnd_droot.F:209:0: note: loop vectorized hnd_droot.F:207:0: note: loop vectorized hnd_droot.F:90:0: note: loop vectorized hnd_droot.F:66:0: note: loop vectorized hnd_droot.F:411:0: note: loop vectorized hnd_droot.F:428:0: note: loop vectorized hnd_stvint.F:268:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_1emem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_set_acc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_stvint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_sxyz.F hnd_sxyz.F:48:0: note: loop vectorized hnd_sxyz.F:43:0: note: loop vectorized hnd_txyz.F:29:0: note: loop vectorized hnd_txyz.F:29:0: note: loop peeled for vectorization to enhance alignment hnd_txyz.F:20:0: note: loop vectorized hnd_txyz.F:20:0: note: loop peeled for vectorization to enhance alignment hnd_txyz.F:12:0: note: loop vectorized hnd_txyz.F:12:0: note: loop peeled for vectorization to enhance alignment hnd_dderij.F:138:0: note: loop vectorized hnd_dderij.F:138:0: note: loop peeled for vectorization to enhance alignment hnd_dderij.F:130:0: note: loop vectorized hnd_dderij.F:130:0: note: loop peeled for vectorization to enhance alignment hnd_dderij.F:55:0: note: loop vectorized hnd_dderij.F:55:0: note: loop peeled for vectorization to enhance alignment hnd_dderij.F:46:0: note: loop vectorized hnd_dderij.F:46:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_txyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_initd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_d1emem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_stvintd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_dderij.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_sd_ij.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_tvd_ij.F hnd_tvd_ij.F:504:0: note: loop vectorized hnd_tvd_ij.F:487:0: note: loop vectorized hnd_tvd_ij.F:592:0: note: loop vectorized hnd_tvd_ij.F:556:0: note: loop vectorized hnd_tvd_ij.F:523:0: note: loop vectorized hnd_ddtxyz.F:28:0: note: loop vectorized hnd_ddtxyz.F:28:0: note: loop peeled for vectorization to enhance alignment hnd_ddtxyz.F:19:0: note: loop vectorized hnd_ddtxyz.F:19:0: note: loop peeled for vectorization to enhance alignment hnd_ddtxyz.F:11:0: note: loop vectorized hnd_ddtxyz.F:11:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_ddtxyz.F hnd_hlf_ij.F:240:0: note: loop vectorized hnd_hlf_ij.F:261:0: note: loop vectorized hnd_dervxyz.F:50:0: note: loop vectorized hnd_dervxyz.F:45:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_hlf_ij.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_dervxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_initdd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_dd1emem.F hnd_hlfd_ij.F:295:0: note: loop vectorized hnd_hlfd_ij.F:253:0: note: loop vectorized hnd_deriaj.F:51:0: note: loop vectorized hnd_deriaj.F:51:0: note: loop peeled for vectorization to enhance alignment hnd_deriaj.F:42:0: note: loop vectorized hnd_deriaj.F:42:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_stvintdd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_hlfd_ij.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_deriaj.F hnd_denxyz.F:16:0: note: loop vectorized hnd_elfder.F:257:0: note: loop vectorized hnd_elfder.F:284:0: note: loop vectorized hnd_elfder.F:297:0: note: loop vectorized hnd_elfder.F:297:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_terminate.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_denxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_elfder.F hnd_giaoh01.F:172:0: note: loop vectorized hnd_giaoh11.F:191:0: note: loop vectorized hnd_giaoh11.F:181:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaoh01.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaoh11.F hnd_giaotv10.F:257:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaol10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaos10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaotv10.F hnd_giaobq10.F:170:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaobq10.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giao_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giao_1emem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giao_2emem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giagnm.F hnd_giagnm.F:94:0: note: loop vectorized hnd_giagnm.F:94:0: note: loop versioned for vectorization because of possible aliasing hnd_giagnm.F:94:0: note: loop peeled for vectorization to enhance alignment hnd_giagnm.F:63:0: note: loop vectorized hnd_giagnm.F:63:0: note: loop versioned for vectorization because of possible aliasing hnd_giagnm.F:63:0: note: loop peeled for vectorization to enhance alignment hnd_giagnm.F:55:0: note: loop vectorized hnd_giagnm.F:55:0: note: loop versioned for vectorization because of possible aliasing hnd_giagnm.F:55:0: note: loop peeled for vectorization to enhance alignment hnd_giagnm.F:16:0: note: loop vectorized hnd_giagnm.F:16:0: note: loop versioned for vectorization because of possible aliasing hnd_giagnm.F:16:0: note: loop peeled for vectorization to enhance alignment hnd_oechrg.F:47:0: note: basic block vectorized hnd_oechrg.F:120:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaspd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_jkbcdf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_oechrg.F hnd_xyzgia.F:28:0: note: loop vectorized hnd_xyzgia.F:28:0: note: loop versioned for vectorization because of possible aliasing hnd_xyzgia.F:28:0: note: loop peeled for vectorization to enhance alignment hnd_xyzgia.F:12:0: note: loop vectorized hnd_xyzgia.F:12:0: note: loop versioned for vectorization because of possible aliasing hnd_xyzgia.F:12:0: note: loop peeled for vectorization to enhance alignment hnd_giaxyz.F:71:0: note: loop vectorized hnd_giaxyz.F:71:0: note: loop versioned for vectorization because of possible aliasing hnd_giaxyz.F:71:0: note: loop peeled for vectorization to enhance alignment hnd_giaxyz.F:90:0: note: loop vectorized hnd_giaxyz.F:90:0: note: loop versioned for vectorization because of possible aliasing hnd_giaxyz.F:90:0: note: loop peeled for vectorization to enhance alignment hnd_giaxyz.F:28:0: note: loop vectorized hnd_giaxyz.F:28:0: note: loop versioned for vectorization because of possible aliasing hnd_giaxyz.F:28:0: note: loop peeled for vectorization to enhance alignment hnd_giaxyz.F:48:0: note: loop vectorized hnd_giaxyz.F:48:0: note: loop versioned for vectorization because of possible aliasing hnd_giaxyz.F:48:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_xyzgia.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giahnd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaxyz.F hnd_spdgia.F:63:0: note: loop vectorized hnd_spdgia.F:63:0: note: loop peeled for vectorization to enhance alignment hnd_pso.F:184:0: note: loop vectorized hnd_dso.F:191:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_jkwrys.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_spdgia.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_pso.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_dso.F hnd_herxyz.F:62:0: note: loop vectorized hnd_herxyz.F:57:0: note: loop vectorized hnd_herxyz.F:52:0: note: loop vectorized hnd_herxyz.F:47:0: note: loop vectorized hnd_init_1eelec.F:47:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_wleg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_herxyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_init_1eelec.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_init_dso.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_init_1emtpl.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_init_pso.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_veloc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_angmom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_dipxyz.F hnd_dipxyz.F:47:0: note: loop vectorized hnd_dipxyz.F:42:0: note: loop vectorized hnd_init_dip.F:45:0: note: loop vectorized hnd_init_dip.F:45:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_init_dip.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDBLEPREC_RYS hnd_giaos100.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/hondo' Making all in rel make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_rel_init.F rel_onel.F:9:19: warning: backslash and newline separated by space c:tex- \nonumber \\ ^ rel_onel.F:14:19: warning: backslash and newline separated by space c:tex- \nonumber \\ ^ rel_onel.F:338:0: note: loop vectorized rel_onel.F:338:0: note: loop peeled for vectorization to enhance alignment rel_onel.F:331:0: note: loop vectorized rel_onel.F:331:0: note: loop peeled for vectorization to enhance alignment rel_mpole.F:165:0: note: loop vectorized rel_mpole.F:165:0: note: loop peeled for vectorization to enhance alignment rel_mpole.F:161:0: note: loop vectorized rel_mpole.F:161:0: note: loop peeled for vectorization to enhance alignment make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_onel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_mpole.F rel_pvp.F:205:0: note: loop vectorized rel_pvp.F:205:0: note: loop peeled for vectorization to enhance alignment rel_pvp.F:198:0: note: loop vectorized rel_pvp.F:198:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_pvp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_pot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_pot2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_2e4c_sf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_LLSS.F rel_LLSS.F:210:0: note: loop vectorized rel_LLSS.F:210:0: note: loop peeled for vectorization to enhance alignment rel_LLSS.F:203:0: note: loop vectorized rel_LLSS.F:203:0: note: loop peeled for vectorization to enhance alignment rel_SSLL.F:209:0: note: loop vectorized rel_SSLL.F:209:0: note: loop peeled for vectorization to enhance alignment rel_SSLL.F:202:0: note: loop vectorized rel_SSLL.F:202:0: note: loop peeled for vectorization to enhance alignment rel_SSSS.F:217:0: note: loop vectorized rel_SSSS.F:217:0: note: loop peeled for vectorization to enhance alignment rel_SSSS.F:210:0: note: loop vectorized rel_SSSS.F:210:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_SSLL.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_SSSS.F rel_oneld.F:9:19: warning: backslash and newline separated by space c:tex- \nonumber \\ ^ rel_oneld.F:14:19: warning: backslash and newline separated by space c:tex- \nonumber \\ ^ rel_oneld.F:399:0: note: loop vectorized rel_oneld.F:399:0: note: loop peeled for vectorization to enhance alignment rel_oneld.F:392:0: note: loop vectorized rel_oneld.F:392:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_init_con.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dmd_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_oneld.F rel_oneld_cosmo.F:9:19: warning: backslash and newline separated by space c:tex- \nonumber \\ ^ rel_oneld_cosmo.F:14:19: warning: backslash and newline separated by space c:tex- \nonumber \\ ^ rel_oneld_cosmo.F:399:0: note: loop vectorized rel_oneld_cosmo.F:399:0: note: loop peeled for vectorization to enhance alignment rel_oneld_cosmo.F:392:0: note: loop vectorized rel_oneld_cosmo.F:392:0: note: loop peeled for vectorization to enhance alignment rel_oneld_cosmo.F: In function 'rel_oneld_cosmo': rel_oneld_cosmo.F:113:0: warning: 'dov' may be used uninitialized in this function [-Wmaybe-uninitialized] logical doV ! compute potential (True/False) ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_oneld_cosmo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_2e4cd_sf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_LLSSd.F rel_LLSSd.F:204:0: note: loop vectorized rel_LLSSd.F:204:0: note: loop peeled for vectorization to enhance alignment rel_LLSSd.F:197:0: note: loop vectorized rel_LLSSd.F:197:0: note: loop peeled for vectorization to enhance alignment rel_SSLLd.F:203:0: note: loop vectorized rel_SSLLd.F:203:0: note: loop peeled for vectorization to enhance alignment rel_SSLLd.F:196:0: note: loop vectorized rel_SSLLd.F:196:0: note: loop peeled for vectorization to enhance alignment rel_SSSSd.F:204:0: note: loop vectorized rel_SSSSd.F:204:0: note: loop peeled for vectorization to enhance alignment rel_SSSSd.F:197:0: note: loop vectorized rel_SSSSd.F:197:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_SSLLd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_SSSSd.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a int_rel_init.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/rel' Making all in dk make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' int_1edk_ga.F:1608:0: note: loop vectorized int_1edk_ga.F:1608:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1608:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1534:0: note: loop vectorized int_1edk_ga.F:1534:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1534:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1492:0: note: loop vectorized int_1edk_ga.F:1492:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1492:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1485:0: note: loop vectorized int_1edk_ga.F:1485:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1485:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1454:0: note: loop vectorized int_1edk_ga.F:1454:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1454:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1447:0: note: loop vectorized int_1edk_ga.F:1447:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1447:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1426:0: note: loop vectorized int_1edk_ga.F:1426:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1426:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1400:0: note: loop vectorized int_1edk_ga.F:1400:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1400:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1386:0: note: loop vectorized int_1edk_ga.F:1386:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1386:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1360:0: note: loop vectorized int_1edk_ga.F:1360:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1360:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1315:0: note: loop vectorized int_1edk_ga.F:1315:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1315:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1241:0: note: loop vectorized int_1edk_ga.F:1241:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1241:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1171:0: note: loop vectorized int_1edk_ga.F:1171:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1171:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1129:0: note: loop vectorized int_1edk_ga.F:1129:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1129:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1076:0: note: loop vectorized int_1edk_ga.F:1076:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1076:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1049:0: note: loop vectorized int_1edk_ga.F:1049:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1049:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:1022:0: note: loop vectorized int_1edk_ga.F:1022:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:1022:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:934:0: note: loop vectorized int_1edk_ga.F:934:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:934:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:914:0: note: loop vectorized int_1edk_ga.F:914:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:914:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:881:0: note: loop vectorized int_1edk_ga.F:881:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:881:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:840:0: note: loop vectorized int_1edk_ga.F:840:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:840:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:820:0: note: loop vectorized int_1edk_ga.F:820:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:820:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:787:0: note: loop vectorized int_1edk_ga.F:787:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:787:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:747:0: note: loop vectorized int_1edk_ga.F:747:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:747:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:709:0: note: loop vectorized int_1edk_ga.F:709:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:709:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:644:0: note: loop vectorized int_1edk_ga.F:644:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:644:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:626:0: note: loop vectorized int_1edk_ga.F:626:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:626:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:597:0: note: loop vectorized int_1edk_ga.F:597:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:597:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:566:0: note: loop vectorized int_1edk_ga.F:566:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:566:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:548:0: note: loop vectorized int_1edk_ga.F:548:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:548:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:519:0: note: loop vectorized int_1edk_ga.F:519:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:519:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:488:0: note: loop vectorized int_1edk_ga.F:488:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:488:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:470:0: note: loop vectorized int_1edk_ga.F:470:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:470:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:441:0: note: loop vectorized int_1edk_ga.F:441:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:441:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:372:0: note: loop vectorized int_1edk_ga.F:372:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:372:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:326:0: note: loop vectorized int_1edk_ga.F:326:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:326:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:322:0: note: loop vectorized int_1edk_ga.F:322:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:322:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:260:0: note: loop vectorized int_1edk_ga.F:260:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:260:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:237:0: note: loop vectorized int_1edk_ga.F:237:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:237:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:243:0: note: loop vectorized int_1edk_ga.F:243:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:243:0: note: loop peeled for vectorization to enhance alignment int_1edk_ga.F:223:0: note: loop vectorized int_1edk_ga.F:223:0: note: loop versioned for vectorization because of possible aliasing int_1edk_ga.F:223:0: note: loop peeled for vectorization to enhance alignment make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_1edk_ga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dk_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dkdiv_energy.F int_1edkso_ga.F:375:0: note: loop vectorized int_1edkso_ga.F:375:0: note: loop versioned for vectorization because of possible aliasing int_1edkso_ga.F:375:0: note: loop peeled for vectorization to enhance alignment int_1edkso_ga.F:225:0: note: loop vectorized int_1edkso_ga.F:225:0: note: loop versioned for vectorization because of possible aliasing int_1edkso_ga.F:225:0: note: loop peeled for vectorization to enhance alignment int_1edkso_ga.F:212:0: note: loop vectorized int_1edkso_ga.F:212:0: note: loop versioned for vectorization because of possible aliasing int_1edkso_ga.F:212:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_pxvp_ga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rel_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_1edkso_ga.F bas_create_uncont.F:202:0: note: loop vectorized bas_create_uncont.F:202:0: note: loop versioned for vectorization because of possible aliasing bas_create_uncont.F:202:0: note: loop peeled for vectorization to enhance alignment bas_create_uncont.F:359:0: note: loop vectorized bas_create_uncont.F:359:0: note: loop versioned for vectorization because of possible aliasing bas_create_uncont.F:359:0: note: loop peeled for vectorization to enhance alignment bas_create_uncont.F:150:0: note: loop vectorized bas_create_uncont.F:150:0: note: loop versioned for vectorization because of possible aliasing bas_create_uncont.F:150:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bas_create_uncont.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o rel_input.o int_1edkso_ga.o bas_create_uncont.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints/dk' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a intgrl_input.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwints.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/NWints' Making libraries in atomscf make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' orderd.F:56:0: note: loop vectorized orderd.F:56:0: note: loop versioned for vectorization because of possible aliasing orderd.F:56:0: note: loop peeled for vectorization to enhance alignment atcond.F:75:0: note: basic block vectorized make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG orderd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG atcond.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG denat.F outpud.F:16:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hamild.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG outpud.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG teigd.F atomd.F:194:0: note: loop vectorized atomd.F:194:0: note: loop peeled for vectorization to enhance alignment atomd.F:292:0: note: loop vectorized atomd.F:292:0: note: loop peeled for vectorization to enhance alignment denmad.F:20:0: note: loop vectorized jacod.F:178:0: note: loop vectorized jacod.F:178:0: note: loop versioned for vectorization because of possible aliasing jacod.F:178:0: note: loop peeled for vectorization to enhance alignment jacod.F: In function 'jacod': jacod.F:141:0: warning: 'tt' may be used uninitialized in this function [-Wmaybe-uninitialized] f(iebr) = tt*sx - f(iebr)*cx ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG atomd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG denmad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG jacod.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pdfded.F densid_z.F:46:0: note: loop vectorized densid_z.F:46:0: note: loop peeled for vectorization to enhance alignment shalfd.F:50:0: note: loop vectorized shalfd.F:50:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tracd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cmergd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG densid.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG densid_z.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG oeigd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shalfd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG trafsd.F trafsd.F:39:0: note: loop vectorized trafsd.F:39:0: note: loop peeled for vectorization to enhance alignment tramad.F:35:0: note: loop vectorized tramad.F:35:0: note: loop peeled for vectorization to enhance alignment datoms.F:370:0: note: loop vectorized datoms.F:370:0: note: loop vectorized datoms.F:370:0: note: loop vectorized datoms.F:370:0: note: loop vectorized datoms.F:370:0: note: loop vectorized datoms.F:281:0: note: basic block vectorized datoms.F:198:0: note: loop vectorized datoms.F:188:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG creded.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG square.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tramad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG datoms.F starcd.F:109:0: note: loop vectorized starcd.F:109:0: note: loop peeled for vectorization to enhance alignment starcd.F:105:0: note: loop vectorized starcd.F:86:0: note: loop vectorized starcd.F:86:0: note: loop versioned for vectorization because of possible aliasing starcd.F:86:0: note: loop peeled for vectorization to enhance alignment starcd.F:78:0: note: loop vectorized starcd.F:40:0: note: loop vectorized starcd.F:40:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG guess_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG starcd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG writel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG printbasis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG atscf_ecp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG atscf_atscf.F make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libguess.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libguess.a orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libguess.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libguess.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libguess.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/atomscf' Making libraries in ddscf make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG comp4_bins.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rhf_dens_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG comp4_insert.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_sym_adap.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rhf_fock_2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_lindep.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_atom_blk.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG schwarz_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vectors_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_1e_ga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG schwarz_pr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_orth_mos.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG schwarz_tidy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int2e_balance.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vectors.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_sym_scr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_cont_blk.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mull_pop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG matrix_exp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_pstat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG schwarz_max.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG movecs_proj.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG movecs_rotate.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ao_fock_2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG movecs_lock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_et.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG print_aoints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_upd_blk.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_cdf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_get_blk.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_vec_guess.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_nr_sol.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_wrap.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_canon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_k2cf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_precon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_shift.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_step.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_rotate.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_get_info.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_hscale.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_file.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_hxx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_fock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_fock2g.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_movecs.F rohf_hessv2.F:57.17: $ pflg, g_movecs, oskel, noskew, 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_h1e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_h2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_hessv2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_dens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG movecs_phase.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG riscf_fock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG riscf_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG riscf_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG riscf_tidy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG riscf_trans.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG do_riscf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG riscf_dovecs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_scat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf_hessv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_rep.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf_hessv2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG print_integ_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG print_1eints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG riscf_square.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG riscf_io.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG movecs_pr_anal.F rohf_diis.F:173.34: call rohf_errvec( g_fock, g_movecs, g_over, g_xorth, 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (scalar and rank-1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_lagr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_diis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rhf_fock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG multipole.F localize.F:123.39: $ nloc, iloc, nbf, nmo, g_movecs, g_sc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:133.36: $ nloc, iloc, nbf, nmo, g_movecs, g_sc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:142.36: $ nloc, iloc, nbf, nmo, g_movecs, g_sc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:192.39: $ nloc, iloc, nbf, nmo, g_movecs, g_uc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:202.36: $ nloc, iloc, nbf, nmo, g_movecs, g_uc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:211.36: $ nloc, iloc, nbf, nmo, g_movecs, g_uc) 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_mat_to_vec.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG movecs_frag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG localize.F fock_xc.F:193.28: = dft_npatch(g_dens,i,nbf_ao,geom,ao_bas_han) 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:204.44: int_mb(igxcd+i-1)=dft_npatch(g_dens,i+nfock_xc-1, 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_j_fit.F:17.45: call fock_j_fit_gen(nmat, g_dens, g_j, 0d0, .false., .true.) 1 Warning: Rank mismatch in argument 'tvec' at (1) (rank-1 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_dip_ga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_xc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_j_fit.F rohf_hessv3.F:69.17: $ pflg, g_movecs, oskel, noskew, 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_jkfac.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf_jkfac.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_hessv3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_cam.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_get2eri.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_frozemb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG print_integrals.F rohf_hessv3_ext.F:87.11: & g_movecs, 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) rohf_hessv3_ext.F:427.11: & g_movecs, ! in : MO coefficients 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_hessv2_ext.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rohf_hessv3_ext.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf_hessv2_ext.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf_precond_ext.F fock_2e_task.F:547:0: note: loop vectorized fock_2e_task.F:554:0: note: loop vectorized fock_2e_task.F:554:0: note: loop peeled for vectorization to enhance alignment make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_task.F fock_2e_lab.F:1609.46: call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039.50: call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_slab.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_lab.F fock_2e_lab.F:64:0: note: loop vectorized fock_2e_lab.F:83:0: note: loop vectorized fock_2e_lab.F:281:0: note: loop vectorized fock_2e_lab.F:281:0: note: loop peeled for vectorization to enhance alignment fock_2e_lab.F:1207:0: note: loop vectorized fock_2e_lab.F:1207:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_labscal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_2e_c.F fock_2e_c.F:62:0: note: loop vectorized fock_2e_c.F:62:0: note: loop peeled for vectorization to enhance alignment fock_scale.F:39:0: note: loop vectorized fock_scale.F:39:0: note: loop peeled for vectorization to enhance alignment fock_densc.F:88:0: note: loop vectorized fock_densc.F:78:0: note: loop vectorized fock_densc.F:68:0: note: loop vectorized fock_densc.F:58:0: note: loop vectorized fock_densc.F:48:0: note: loop vectorized fock_densc.F:39:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_scale.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fock_densc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG schwarz_atom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG comp4_ext.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG schwarz_sh.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int2e_file.F int2e_file.F:1038:0: note: basic block vectorized int2e_file.F:410:0: note: basic block vectorized int2e_file.F:478:0: note: basic block vectorized int2e_file.F:1038:0: note: basic block vectorized int2e_file.F:645:0: note: loop vectorized int2e_file.F:645:0: note: loop peeled for vectorization to enhance alignment ao_replicated.F:1254:0: note: loop vectorized ao_replicated.F:1254:0: note: loop peeled for vectorization to enhance alignment ao_replicated.F:1204:0: note: loop vectorized ao_replicated.F:1210:0: note: loop vectorized ao_replicated.F:1216:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DRISCF_USE_DRA -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ao_replicated.F ao_replicated.F:407:0: note: loop vectorized ao_replicated.F:407:0: note: loop peeled for vectorization to enhance alignment ao_replicated.F:544:0: note: basic block vectorized make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' Making all in fast make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' xlm_poles.F:195:0: note: loop vectorized xlm_poles.F:195:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:195:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2225:0: note: loop vectorized xlm_poles.F:2220:0: note: loop vectorized xlm_poles.F:2220:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2207:0: note: loop vectorized xlm_poles.F:2204:0: note: loop vectorized xlm_poles.F:2204:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2181:0: note: loop vectorized xlm_poles.F:2181:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:2176:0: note: loop vectorized xlm_poles.F:2176:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2163:0: note: loop vectorized xlm_poles.F:2163:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:2160:0: note: loop vectorized xlm_poles.F:2160:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2318:0: note: loop vectorized xlm_poles.F:2318:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2303:0: note: loop vectorized xlm_poles.F:2297:0: note: loop vectorized xlm_poles.F:2297:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2272:0: note: loop vectorized xlm_poles.F:2272:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2257:0: note: loop vectorized xlm_poles.F:2251:0: note: loop vectorized xlm_poles.F:2251:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2164:0: note: basic block vectorized xlm_poles.F:2184:0: note: basic block vectorized xlm_poles.F:2286:0: note: basic block vectorized xlm_poles.F:2332:0: note: basic block vectorized make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 xlm_poles.F xlm_poles.F:195:0: note: loop vectorized xlm_poles.F:195:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:195:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:736:0: note: loop vectorized xlm_poles.F:736:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:730:0: note: loop vectorized xlm_poles.F:730:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:722:0: note: loop vectorized xlm_poles.F:722:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:716:0: note: loop vectorized xlm_poles.F:716:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:692:0: note: loop vectorized xlm_poles.F:692:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:692:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:41:0: note: loop vectorized xlm_poles.F:41:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:73:0: note: loop vectorized xlm_poles.F:73:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:343:0: note: loop vectorized xlm_poles.F:343:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:625:0: note: loop vectorized xlm_poles.F:625:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:596:0: note: loop vectorized xlm_poles.F:585:0: note: loop vectorized xlm_poles.F:585:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:576:0: note: loop vectorized xlm_poles.F:576:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:567:0: note: loop vectorized xlm_poles.F:567:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:552:0: note: loop vectorized xlm_poles.F:552:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:524:0: note: loop vectorized xlm_poles.F:521:0: note: loop vectorized xlm_poles.F:1157:0: note: loop vectorized xlm_poles.F:1157:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1202:0: note: loop vectorized xlm_poles.F:1202:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1239:0: note: loop vectorized xlm_poles.F:1239:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1268:0: note: loop vectorized xlm_poles.F:1268:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1326:0: note: loop vectorized xlm_poles.F:1326:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1461:0: note: loop vectorized xlm_poles.F:1461:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:1447:0: note: loop vectorized xlm_poles.F:1447:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1439:0: note: loop vectorized xlm_poles.F:1439:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1385:0: note: loop vectorized xlm_poles.F:1548:0: note: loop vectorized xlm_poles.F:1548:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1703:0: note: loop vectorized xlm_poles.F:1703:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:1687:0: note: loop vectorized xlm_poles.F:1687:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1679:0: note: loop vectorized xlm_poles.F:1679:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1669:0: note: loop vectorized xlm_poles.F:1669:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1622:0: note: loop vectorized xlm_poles.F:2000:0: note: loop vectorized xlm_poles.F:2000:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:2000:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2012:0: note: loop vectorized xlm_poles.F:2012:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:2012:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2225:0: note: loop vectorized xlm_poles.F:2220:0: note: loop vectorized xlm_poles.F:2220:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2207:0: note: loop vectorized xlm_poles.F:2204:0: note: loop vectorized xlm_poles.F:2204:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2181:0: note: loop vectorized xlm_poles.F:2181:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:2176:0: note: loop vectorized xlm_poles.F:2176:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2163:0: note: loop vectorized xlm_poles.F:2163:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:2160:0: note: loop vectorized xlm_poles.F:2160:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2318:0: note: loop vectorized xlm_poles.F:2318:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2303:0: note: loop vectorized xlm_poles.F:2297:0: note: loop vectorized xlm_poles.F:2297:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2272:0: note: loop vectorized xlm_poles.F:2272:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2257:0: note: loop vectorized xlm_poles.F:2251:0: note: loop vectorized xlm_poles.F:2251:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1953:0: note: loop vectorized xlm_poles.F:1953:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1930:0: note: loop vectorized xlm_poles.F:1930:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1936:0: note: loop vectorized xlm_poles.F:1936:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1919:0: note: loop vectorized xlm_poles.F:1919:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1882:0: note: loop vectorized xlm_poles.F:1882:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1858:0: note: loop vectorized xlm_poles.F:1858:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1850:0: note: loop vectorized xlm_poles.F:1871:0: note: loop vectorized xlm_poles.F:1871:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1863:0: note: loop vectorized xlm_poles.F:1863:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1863:0: note: loop vectorized xlm_poles.F:1863:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1863:0: note: loop vectorized xlm_poles.F:1863:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1863:0: note: loop vectorized xlm_poles.F:1863:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1836:0: note: loop vectorized xlm_poles.F:1836:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1810:0: note: loop vectorized xlm_poles.F:1810:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:1810:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:1820:0: note: loop vectorized xlm_poles.F:1820:0: note: loop versioned for vectorization because of possible aliasing xlm_poles.F:1820:0: note: loop peeled for vectorization to enhance alignment xlm_poles.F:2164:0: note: basic block vectorized xlm_poles.F:2184:0: note: basic block vectorized xlm_poles.F:2286:0: note: basic block vectorized xlm_poles.F:2332:0: note: basic block vectorized cheby.F:77:0: note: loop vectorized cheby.F:36:0: note: loop vectorized cheby.F:26:0: note: loop vectorized cheby.F:26:0: note: loop peeled for vectorization to enhance alignment cheby.F:229:0: note: loop vectorized cheby.F:211:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 cheby.F cheby.F:339:0: note: loop vectorized cheby.F:328:0: note: loop vectorized cheby.F:305:0: note: loop vectorized cheby.F:501:0: note: loop vectorized fastj.F: In function 'fastj_eval_list_from_data': fastj.F:1639:0: warning: 'potgrid' may be used uninitialized in this function [-Wmaybe-uninitialized] dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 fastj.F fastj.F:1073:0: note: loop vectorized fastj.F:1073:0: note: loop peeled for vectorization to enhance alignment fastj.F:1038:0: note: loop vectorized fastj.F:1038:0: note: loop versioned for vectorization because of possible aliasing fastj.F:1038:0: note: loop peeled for vectorization to enhance alignment fastj.F:1033:0: note: loop vectorized fastj.F:1033:0: note: loop versioned for vectorization because of possible aliasing fastj.F:1033:0: note: loop peeled for vectorization to enhance alignment fastj.F:1027:0: note: loop vectorized fastj.F:1027:0: note: loop versioned for vectorization because of possible aliasing fastj.F:1027:0: note: loop peeled for vectorization to enhance alignment fastj.F:1055:0: note: loop vectorized fastj.F:1055:0: note: loop peeled for vectorization to enhance alignment fastj.F:1950:0: note: loop vectorized fastj.F:1950:0: note: loop peeled for vectorization to enhance alignment fastj.F:1941:0: note: loop vectorized fastj.F:1941:0: note: loop peeled for vectorization to enhance alignment fastj.F:1911:0: note: loop vectorized fastj.F:1911:0: note: loop peeled for vectorization to enhance alignment fastj.F:895:0: note: loop vectorized fastj.F:895:0: note: loop versioned for vectorization because of possible aliasing fastj.F:895:0: note: loop peeled for vectorization to enhance alignment fastj.F:619:0: note: loop vectorized fastj.F:626:0: note: loop vectorized fastj.F: In function 'fastj_density': fastj.F:736:0: warning: 'z' may be used uninitialized in this function [-Wmaybe-uninitialized] $ x-a, y-b, z-c, q, lmax) ^ fastj.F:736:0: warning: 'y' may be used uninitialized in this function [-Wmaybe-uninitialized] fastj.F:736:0: warning: 'x' may be used uninitialized in this function [-Wmaybe-uninitialized] anlfit.F:371.12: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: Loop variable at (1) must be integer anlfit.F:371.15: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: Start expression in DO loop at (1) must be integer anlfit.F:371.22: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer anlfit.F:371.31: do x = 3.0d0, anl_xhi, 0.1d0 1 Warning: Deleted feature: Step expression in DO loop at (1) must be integer anlfit.F:31:0: note: loop vectorized anlfit.F: In function 'dpolcf': anlfit.F:615:0: warning: 'ptwo' may be used uninitialized in this function [-Wmaybe-uninitialized] D(1)=PTWO ^ anlfit.F: In function 'interp_table_make': anlfit.F:615:0: warning: 'ptwo' may be used uninitialized in this function [-Wmaybe-uninitialized] anlfit.F:598:0: note: 'ptwo' was declared here DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) ^ anlfit.F:31:0: note: loop vectorized anlfit.F:31:0: note: loop vectorized anlfit.F:31:0: note: loop vectorized anlfit.F:31:0: note: loop vectorized anlfit.F:288:0: note: loop vectorized anlfit.F:288:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 anlfit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 cart_trans.F cart_trans.F:362:0: note: loop vectorized cart_trans.F:362:0: note: loop peeled for vectorization to enhance alignment cart_trans.F:300:0: note: loop vectorized cart_trans.F:300:0: note: loop peeled for vectorization to enhance alignment cart_trans.F:250:0: note: loop vectorized cart_trans.F:250:0: note: loop peeled for vectorization to enhance alignment cart_trans.F:227:0: note: loop vectorized cart_trans.F:227:0: note: loop peeled for vectorization to enhance alignment cart_trans.F:203:0: note: loop vectorized cart_trans.F:203:0: note: loop peeled for vectorization to enhance alignment cart_trans.F:118:0: note: loop vectorized cart_trans.F:118:0: note: loop peeled for vectorization to enhance alignment cart_trans.F:102:0: note: loop vectorized cart_trans.F:102:0: note: loop peeled for vectorization to enhance alignment cart_trans.F:118:0: note: loop vectorized cart_trans.F:118:0: note: loop peeled for vectorization to enhance alignment cart_trans.F:102:0: note: loop vectorized cart_trans.F:102:0: note: loop peeled for vectorization to enhance alignment solver.F:903:0: note: loop vectorized solver.F:903:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec gauleg.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 solver.F solver.F:1059:0: note: loop vectorized solver.F:1054:0: note: loop vectorized solver.F:581:0: note: loop vectorized solver.F:581:0: note: loop peeled for vectorization to enhance alignment solver.F:547:0: note: loop vectorized solver.F:547:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F:526:0: note: loop vectorized solver.F:526:0: note: loop peeled for vectorization to enhance alignment solver.F:492:0: note: loop vectorized solver.F:492:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F:471:0: note: loop vectorized solver.F:471:0: note: loop peeled for vectorization to enhance alignment solver.F:437:0: note: loop vectorized solver.F:437:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F:416:0: note: loop vectorized solver.F:416:0: note: loop peeled for vectorization to enhance alignment solver.F:382:0: note: loop vectorized solver.F:382:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F:361:0: note: loop vectorized solver.F:361:0: note: loop peeled for vectorization to enhance alignment solver.F:327:0: note: loop vectorized solver.F:327:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F:306:0: note: loop vectorized solver.F:306:0: note: loop peeled for vectorization to enhance alignment solver.F:272:0: note: loop vectorized solver.F:272:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F:922:0: note: loop vectorized solver.F:922:0: note: loop versioned for vectorization because of possible aliasing solver.F:922:0: note: loop peeled for vectorization to enhance alignment solver.F: In function 'solver': solver.F:99:0: warning: 'start' may be used uninitialized in this function [-Wmaybe-uninitialized] $ write(6,15) etime(tt) - start ^ solver.F:34:0: note: 'start' was declared here real*4 etime, tt(2), start ^ solver.F:1145:0: note: loop vectorized solver.F:1145:0: note: loop peeled for vectorization to enhance alignment vsint.f:583:0: note: loop vectorized vsint.f:583:0: note: loop versioned for vectorization because of possible aliasing vsint.f:583:0: note: loop peeled for vectorization to enhance alignment vsint.f:567:0: note: loop vectorized vsint.f:567:0: note: loop versioned for vectorization because of possible aliasing vsint.f:567:0: note: loop peeled for vectorization to enhance alignment vsint.f:553:0: note: loop vectorized vsint.f:553:0: note: loop versioned for vectorization because of possible aliasing vsint.f:553:0: note: loop peeled for vectorization to enhance alignment vsint.f:527:0: note: loop vectorized vsint.f:527:0: note: loop peeled for vectorization to enhance alignment vsint.f:518:0: note: loop vectorized vsint.f:518:0: note: loop versioned for vectorization because of possible aliasing vsint.f:518:0: note: loop peeled for vectorization to enhance alignment vsint.f:503:0: note: loop vectorized vsint.f:503:0: note: loop versioned for vectorization because of possible aliasing vsint.f:503:0: note: loop peeled for vectorization to enhance alignment vsint.f:488:0: note: loop vectorized vsint.f:488:0: note: loop versioned for vectorization because of possible aliasing vsint.f:488:0: note: loop peeled for vectorization to enhance alignment vsint.f:470:0: note: loop vectorized vsint.f:470:0: note: loop versioned for vectorization because of possible aliasing vsint.f:470:0: note: loop peeled for vectorization to enhance alignment vsint.f:456:0: note: loop vectorized vsint.f:456:0: note: loop versioned for vectorization because of possible aliasing vsint.f:456:0: note: loop peeled for vectorization to enhance alignment vsint.f:442:0: note: loop vectorized vsint.f:442:0: note: loop versioned for vectorization because of possible aliasing vsint.f:442:0: note: loop peeled for vectorization to enhance alignment vsint.f:425:0: note: loop vectorized vsint.f:425:0: note: loop versioned for vectorization because of possible aliasing vsint.f:425:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec vsint.f vsint.f:332:0: note: loop vectorized vsint.f:332:0: note: loop versioned for vectorization because of possible aliasing vsint.f:332:0: note: loop peeled for vectorization to enhance alignment vsint.f:218:0: note: loop vectorized vsint.f:218:0: note: loop versioned for vectorization because of possible aliasing vsint.f:218:0: note: loop peeled for vectorization to enhance alignment vsint.f:200:0: note: loop vectorized vsint.f:200:0: note: loop versioned for vectorization because of possible aliasing vsint.f:200:0: note: loop peeled for vectorization to enhance alignment vsint.f:188:0: note: loop vectorized vsint.f:188:0: note: loop versioned for vectorization because of possible aliasing vsint.f:188:0: note: loop peeled for vectorization to enhance alignment vsint.f:178:0: note: loop vectorized vsint.f:178:0: note: loop versioned for vectorization because of possible aliasing vsint.f:178:0: note: loop peeled for vectorization to enhance alignment vsint.f:306:0: note: loop vectorized vsint.f:306:0: note: loop versioned for vectorization because of possible aliasing vsint.f:306:0: note: loop peeled for vectorization to enhance alignment vsint.f:263:0: note: loop vectorized vsint.f:263:0: note: loop versioned for vectorization because of possible aliasing vsint.f:263:0: note: loop peeled for vectorization to enhance alignment vsint.f:807:0: note: loop vectorized vsint.f:807:0: note: loop peeled for vectorization to enhance alignment vsint.f:802:0: note: loop vectorized vsint.f:802:0: note: loop peeled for vectorization to enhance alignment vsint.f:583:0: note: loop vectorized vsint.f:583:0: note: loop versioned for vectorization because of possible aliasing vsint.f:583:0: note: loop peeled for vectorization to enhance alignment vsint.f:567:0: note: loop vectorized vsint.f:567:0: note: loop versioned for vectorization because of possible aliasing vsint.f:567:0: note: loop peeled for vectorization to enhance alignment vsint.f:553:0: note: loop vectorized vsint.f:553:0: note: loop versioned for vectorization because of possible aliasing vsint.f:553:0: note: loop peeled for vectorization to enhance alignment vsint.f:527:0: note: loop vectorized vsint.f:527:0: note: loop peeled for vectorization to enhance alignment vsint.f:518:0: note: loop vectorized vsint.f:518:0: note: loop versioned for vectorization because of possible aliasing vsint.f:518:0: note: loop peeled for vectorization to enhance alignment vsint.f:503:0: note: loop vectorized vsint.f:503:0: note: loop versioned for vectorization because of possible aliasing vsint.f:503:0: note: loop peeled for vectorization to enhance alignment vsint.f:488:0: note: loop vectorized vsint.f:488:0: note: loop versioned for vectorization because of possible aliasing vsint.f:488:0: note: loop peeled for vectorization to enhance alignment vsint.f:470:0: note: loop vectorized vsint.f:470:0: note: loop versioned for vectorization because of possible aliasing vsint.f:470:0: note: loop peeled for vectorization to enhance alignment vsint.f:456:0: note: loop vectorized vsint.f:456:0: note: loop versioned for vectorization because of possible aliasing vsint.f:456:0: note: loop peeled for vectorization to enhance alignment vsint.f:442:0: note: loop vectorized vsint.f:442:0: note: loop versioned for vectorization because of possible aliasing vsint.f:442:0: note: loop peeled for vectorization to enhance alignment vsint.f:425:0: note: loop vectorized vsint.f:425:0: note: loop versioned for vectorization because of possible aliasing vsint.f:425:0: note: loop peeled for vectorization to enhance alignment vsint.f:146:0: note: loop vectorized vsint.f:146:0: note: loop peeled for vectorization to enhance alignment vsint.f:137:0: note: loop vectorized vsint.f:137:0: note: loop peeled for vectorization to enhance alignment vsint.f:132:0: note: loop vectorized vsint.f:132:0: note: loop versioned for vectorization because of possible aliasing vsint.f:132:0: note: loop peeled for vectorization to enhance alignment vsint.f:129:0: note: loop vectorized vsint.f:129:0: note: loop peeled for vectorization to enhance alignment vsint.f:125:0: note: loop vectorized vsint.f:125:0: note: loop peeled for vectorization to enhance alignment vsint.f:113:0: note: loop vectorized vsint.f:113:0: note: loop peeled for vectorization to enhance alignment vsint.f:105:0: note: loop vectorized vsint.f:105:0: note: loop versioned for vectorization because of possible aliasing vsint.f:105:0: note: loop peeled for vectorization to enhance alignment vsint.f:86:0: note: loop vectorized vsint.f:86:0: note: loop versioned for vectorization because of possible aliasing vsint.f:86:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:805:0: note: loop vectorized pot_shell.F:805:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:812:0: note: loop vectorized pot_shell.F:812:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:819:0: note: loop vectorized pot_shell.F:819:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:788:0: note: loop vectorized pot_shell.F:788:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:779:0: note: loop vectorized pot_shell.F:779:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:723:0: note: loop vectorized pot_shell.F:723:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:706:0: note: loop vectorized pot_shell.F:706:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:703:0: note: loop vectorized pot_shell.F:703:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:678:0: note: loop vectorized pot_shell.F:678:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:576:0: note: loop vectorized pot_shell.F:576:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:562:0: note: loop vectorized pot_shell.F:562:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:503:0: note: loop vectorized pot_shell.F:503:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:347:0: note: loop vectorized pot_shell.F:347:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:230:0: note: loop vectorized pot_shell.F:230:0: note: loop peeled for vectorization to enhance alignment pot_shell.F:195:0: note: loop vectorized pot_shell.F:195:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 pot_shell.F pot_shell.F: In function 'potential_from_shell_pair': pot_shell.F:88:0: warning: 'start' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision qm2, qm1, q0, qp1, qp2, start ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 fastj_direct.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec fastj_range.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 newfmm.F newfmm.F:1297:0: note: loop vectorized newfmm.F:1297:0: note: loop peeled for vectorization to enhance alignment newfmm.F:175:0: note: loop vectorized newfmm.F:175:0: note: loop peeled for vectorization to enhance alignment newfmm.F:382:0: note: loop vectorized newfmm.F:382:0: note: loop peeled for vectorization to enhance alignment newfmm.F:582:0: note: loop vectorized newfmm.F:582:0: note: loop peeled for vectorization to enhance alignment newfmm.F: In function 'fmm_potential_at_charges2': newfmm.F:580:0: warning: 'zo' may be used uninitialized in this function [-Wmaybe-uninitialized] call xlm(lmax, x-xo, y-yo, z-zo, w, lq) ^ newfmm.F:580:0: warning: 'yo' may be used uninitialized in this function [-Wmaybe-uninitialized] newfmm.F:580:0: warning: 'xo' may be used uninitialized in this function [-Wmaybe-uninitialized] newfmm.F:701:0: note: loop vectorized newfmm.F:701:0: note: loop peeled for vectorization to enhance alignment newfmm.F:790:0: note: basic block vectorized sint.f:25.49: CALL SINT1(N,X,WSAVE,WSAVE(IW1),WSAVE(IW2),WSAVE(IW3)) 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) sint.f:140.31: CALL RFFTI1(N,WSAVE(N+1),WSAVE(2*N+1)) 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) sint.f:743:0: note: loop vectorized sint.f:743:0: note: loop peeled for vectorization to enhance alignment sint.f:736:0: note: loop vectorized sint.f:736:0: note: loop versioned for vectorization because of possible aliasing sint.f:736:0: note: loop peeled for vectorization to enhance alignment sint.f:723:0: note: loop vectorized sint.f:723:0: note: loop versioned for vectorization because of possible aliasing sint.f:723:0: note: loop peeled for vectorization to enhance alignment sint.f:684:0: note: loop vectorized sint.f:684:0: note: loop versioned for vectorization because of possible aliasing sint.f:671:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFMM_LMAX=30 potential.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec sint.f sint.f:116:0: note: loop vectorized sint.f:116:0: note: loop peeled for vectorization to enhance alignment sint.f:99:0: note: loop vectorized sint.f:99:0: note: loop versioned for vectorization because of possible aliasing sint.f:99:0: note: loop peeled for vectorization to enhance alignment sint.f:85:0: note: loop vectorized sint.f:85:0: note: loop peeled for vectorization to enhance alignment sint.f:116:0: note: loop vectorized sint.f:116:0: note: loop versioned for vectorization because of possible aliasing sint.f:116:0: note: loop peeled for vectorization to enhance alignment sint.f:99:0: note: loop vectorized sint.f:99:0: note: loop versioned for vectorization because of possible aliasing sint.f:99:0: note: loop peeled for vectorization to enhance alignment sint.f:85:0: note: loop vectorized sint.f:85:0: note: loop versioned for vectorization because of possible aliasing sint.f:85:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libddscf.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libddscf.a xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libddscf.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libddscf.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libddscf.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf/fast' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libddscf.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libddscf.a comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libddscf.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libddscf.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ddscf' Making libraries in gradients make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG gradients.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad_force.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scf_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad_dens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_reorder.F make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad2.F grad2.F:733:0: note: loop vectorized grad2.F:733:0: note: loop peeled for vectorization to enhance alignment grad2.F:601:0: note: loop vectorized grad2.F:601:0: note: loop peeled for vectorization to enhance alignment grad2.F:627:0: note: loop vectorized grad2.F:627:0: note: loop peeled for vectorization to enhance alignment grad2.F:681:0: note: loop vectorized grad2.F:681:0: note: loop peeled for vectorization to enhance alignment grad2.F:703:0: note: loop vectorized grad2.F:703:0: note: loop peeled for vectorization to enhance alignment grad2.F:717:0: note: loop vectorized grad2.F:717:0: note: loop peeled for vectorization to enhance alignment grad2.F:535:0: note: loop vectorized grad2.F:535:0: note: loop peeled for vectorization to enhance alignment grad2.F:497:0: note: loop vectorized grad2.F:497:0: note: loop peeled for vectorization to enhance alignment grad2.F:453:0: note: loop vectorized grad2.F:453:0: note: loop peeled for vectorization to enhance alignment grad2.F:409:0: note: loop vectorized grad2.F:409:0: note: loop peeled for vectorization to enhance alignment grad2.F:733:0: note: loop vectorized grad2.F:733:0: note: loop peeled for vectorization to enhance alignment grad2.F:601:0: note: loop vectorized grad2.F:601:0: note: loop peeled for vectorization to enhance alignment grad2.F:627:0: note: loop vectorized grad2.F:627:0: note: loop peeled for vectorization to enhance alignment grad2.F:681:0: note: loop vectorized grad2.F:681:0: note: loop peeled for vectorization to enhance alignment grad2.F:703:0: note: loop vectorized grad2.F:703:0: note: loop peeled for vectorization to enhance alignment grad2.F:717:0: note: loop vectorized grad2.F:717:0: note: loop peeled for vectorization to enhance alignment grad2.F:409:0: note: loop vectorized grad2.F:409:0: note: loop peeled for vectorization to enhance alignment grad2.F:1:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad_getdens.F make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libgradients.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libgradients.a gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libgradients.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libgradients.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libgradients.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/gradients' Making libraries in moints make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT atwtest.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT direct_mp2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mointdriver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_1e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_dbg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_gsh1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_mem.F moints_full.F:352.44: $ int_mb(k_irs), int_mb(k_map), dbl_mb(k_work), 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_mp2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_stats.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_full.F sifs0.F:1471.72: assign 6021 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs0.F:1473.72: assign 6022 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs0.F:1483.21: write(nlist,ifmtv) values(i), (labels(j,i), j=1,nipv) 1 Warning: Deleted feature: ASSIGNED variable in FORMAT tag at (1) sifs1.F:107.72: assign 6021 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs1.F:109.72: assign 6022 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs1.F:111.72: assign 6024 to ifmtv 1 Warning: Deleted feature: ASSIGN statement at (1) sifs1.F:119.21: write(nlist,ifmtv) values(i), (labels(j,i), j=1,nipv) 1 Warning: Deleted feature: ASSIGNED variable in FORMAT tag at (1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT sifs0.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT sifs1.F moints_aodisk.F:1617.48: call moints_aodisk_ijprint( ilen, jlen, r(ijp) ) 1 Warning: Type mismatch in argument 'ijmap' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1281.46: $ nnz, int_mb(k_irv), iorec(dp), 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:992.54: $ sprstol, labint, iorec(irp), nir1, 1 Warning: Type mismatch in argument 'colp' at (1); passed REAL(8) to INTEGER(8) moints_aodisk.F:1723.34: $ itmp(2*klen+1)))) then 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:1664.31: $ itmp, n, r))) then 1 Warning: Type mismatch in argument 'ijmap' at (1); passed INTEGER(8) to INTEGER(2) make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT -O3 -funroll-loops -ffast-math -O1 -o moints_cutil.o moints_cutil.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_aodisk.F moints_2x.F:938:0: note: loop vectorized moints_2x.F:938:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:919:0: note: loop vectorized moints_2x.F:919:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:846:0: note: loop vectorized moints_2x.F:846:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:821:0: note: loop vectorized moints_2x.F:821:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:140:0: note: loop vectorized moints_2x.F:140:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_2x.F moints_2x.F:589:0: note: loop vectorized moints_2x.F:589:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:570:0: note: loop vectorized moints_2x.F:570:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:674:0: note: loop vectorized moints_2x.F:674:0: note: loop peeled for vectorization to enhance alignment moints_2x.F:657:0: note: loop vectorized moints_2x.F:657:0: note: loop peeled for vectorization to enhance alignment moints_6x.F:1558:0: note: loop vectorized moints_6x.F:1558:0: note: loop peeled for vectorization to enhance alignment moints_6x.F:1388:0: note: loop vectorized moints_6x.F:1388:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_6x.F moints_6x.F:140:0: note: loop vectorized moints_6x.F:140:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_semi.F moints_semi.F:1330:0: note: loop vectorized moints_semi.F:1330:0: note: loop peeled for vectorization to enhance alignment moints_aux2.F:844:0: note: loop vectorized moints_aux2.F:844:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT moints_aux2.F moints_aux2.F:679:0: note: loop vectorized moints_aux2.F:679:0: note: loop peeled for vectorization to enhance alignment moints_aux2.F:666:0: note: loop vectorized moints_aux2.F:666:0: note: loop peeled for vectorization to enhance alignment moints_aux2.F:876:0: note: loop vectorized moints_aux2.F:876:0: note: loop peeled for vectorization to enhance alignment make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libmoints.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libmoints.a atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libmoints.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libmoints.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libmoints.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/moints' Making libraries in nwdft make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I./include -I./grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwdft.F Making all in include make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/include' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/include' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/include' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/include' Making all in input_dft make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/input_dft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_inpana.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_rdinput.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tol_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG conv_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cdft_inp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG occup_input.F make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/input_dft' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/input_dft' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/input_dft' Making all in scf_dft make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_swapab.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_main0d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_scf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR print_irrep_occp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_fockbld.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_scfutil.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_symbr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_pstat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR fukui.F dft_diagn.F:264:2: warning: #warning YVRVRVR [-Wcpp] #warning YVRVRVR ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_canorg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_diagn.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_dump_info.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_fant.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_printinfo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_frac_mo.F make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_dencvg.F dft_dencvg.F:45:0: note: loop vectorized dft_dencvg.F:45:0: note: loop peeled for vectorization to enhance alignment dft_densm.F:208:0: note: loop vectorized dft_densm.F:208:0: note: loop peeled for vectorization to enhance alignment dft_densm.F: In function 'dft_densm': dft_densm.F:250:0: warning: 'nocsave[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] noc(1)=nocsave(1) ^ dft_densm.F:49:0: note: 'nocsave[0]' was declared here integer nocsave(2) ^ dft_densm.F:251:0: warning: 'nocsave[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] noc(2)=nocsave(2) ^ dft_densm.F:49:0: note: 'nocsave[1]' was declared here integer nocsave(2) ^ dft_invdiag.F:62:0: note: loop vectorized dft_invdiag.F:62:0: note: loop versioned for vectorization because of possible aliasing dft_invdiag.F:62:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_densm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_invdiag.F dft_mxovl.F:113:0: note: loop vectorized dft_mxovl.F:113:0: note: loop peeled for vectorization to enhance alignment dft_mxovl.F:110:0: note: loop vectorized dft_mxovl.F:110:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_mxovl.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_mxspin_ovlp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_s2_value.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_scfcvg.F diis_bsolve.F:105:0: note: loop vectorized diis_bsolve.F:105:0: note: loop versioned for vectorization because of possible aliasing diis_bsolve.F:105:0: note: loop peeled for vectorization to enhance alignment diis_core.F:97:0: note: loop vectorized diis_core.F:97:0: note: loop versioned for vectorization because of possible aliasing diis_core.F:97:0: note: loop peeled for vectorization to enhance alignment diis_hamwgt.F:61:0: note: loop vectorized diis_hamwgt.F:61:0: note: loop peeled for vectorization to enhance alignment diis_hamwgt.F:42:0: note: loop vectorized diis_hamwgt.F:42:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR diis_bld12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR diis_bsolve.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR diis_core.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR diis_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR diis_hamwgt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR dft_fdist_init.F cdft_util.F:638:0: note: loop vectorized cdft_util.F:638:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:522:0: note: loop vectorized cdft_util.F:522:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:515:0: note: loop vectorized cdft_util.F:515:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:638:0: note: loop vectorized cdft_util.F:638:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD -DUSE_PDSYEVR cdft_util.F cdft_util.F:832:0: note: loop vectorized cdft_util.F:832:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:879:0: note: loop vectorized cdft_util.F:879:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:874:0: note: loop vectorized cdft_util.F:874:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:870:0: note: loop vectorized cdft_util.F:870:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:854:0: note: loop vectorized cdft_util.F:854:0: note: loop peeled for vectorization to enhance alignment cdft_util.F:819:0: note: loop vectorized cdft_util.F:819:0: note: loop peeled for vectorization to enhance alignment make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_frac_mo.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft' Making all in scf_dft_cg make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft_cg' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_cscf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_cg_answer.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_cg_info.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_cg_guess.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_cg_solve.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_get_conv_info.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_fock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_hessv_2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_hessv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_hessv_xx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_nr_solve.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_search_precond.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_roks_step_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_uks_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_uks_hessv_2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_uks_hessv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_uks_nr_solve.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_uks_search_precond.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_uks_step_energy.F make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft_cg' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft_cg' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/scf_dft_cg' Making all in so_dft dft_scf_so.F:23:0: warning: extra tokens at end of #include directive #include "zora.fh" ! zora contribution ^ dft_scf_so.F:24:0: warning: extra tokens at end of #include directive #include "case.fh" ! coulomb attenuation ^ make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/so_dft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD dft_scf_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD dft_densmso.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD dft_mxovlso.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD grad_force_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD dft_gradients_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD vectors_so.F vectors_so.F:250.29: $ dbl_mb(k_fulleval), g_tmp) ) call errquit( 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (rank-1 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD grad_dens_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD grad1_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD diis_driver_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD diis_bsolve_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD diis_bld12_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD diis_core_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD diis_hamwgt_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD diis_refvec_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD movecs_anal_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD getv_coul.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD getv_exch0.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD getv_exchX.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD getv_exchY.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD getv_exchZ.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD getv_dftxc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD sym_mo_adapt_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD sym_char_tab_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD scf_sym_adap_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD sym_mo_ap_op_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD sym_op_clsfy_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD ga_orth_mos_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD ga_orthog_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD sym_op_cname_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD grad_dens_so2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD dft_scf_utils_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD dft_frac_mo_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_GAPZHEEVD xc_exso.F make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/so_dft' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/so_dft' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/so_dft' Making all in coulomb make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' dft_3cincor.F:131:0: note: loop vectorized dft_3cincor.F:131:0: note: loop peeled for vectorization to enhance alignment make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_3cincor.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_mem3c.F dft_fitcd.F:227:0: note: loop vectorized dft_fitcd.F:227:0: note: loop peeled for vectorization to enhance alignment dft_fitvc.F:97:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_fitcd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_fitvc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_genspm.F dft_getspm.F:196:0: note: loop vectorized dft_getspm.F:196:0: note: loop peeled for vectorization to enhance alignment dft_getspm.F:169:0: note: loop vectorized dft_getspm.F:169:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_get2eri.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_getspm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_getvc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_n3c.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/coulomb' Making all in xc make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_getv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_exact_pot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_sicutil.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chk_dens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_util.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_chkdispauto.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vdw_init.F cc -c -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o 2ndDerivB97.o 2ndDerivB97.c xc_eval_basis.F:243.56: & dbl_mb(id3ang), qxyz, ccoord(1,ictr), nq, dbl_mb(il2k), 1 Warning: Type mismatch in argument 'l2k' at (1); passed REAL(8) to INTEGER(8) make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_eval_basis.F xc_eval_basis.F:1389:0: note: loop vectorized xc_eval_basis.F:1389:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1389:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1755:0: note: loop vectorized xc_eval_basis.F:1755:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1755:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1232:0: note: loop vectorized xc_eval_basis.F:1232:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1232:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1083:0: note: loop vectorized xc_eval_basis.F:1083:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1087:0: note: loop vectorized xc_eval_basis.F:1087:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1087:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1138:0: note: loop vectorized xc_eval_basis.F:1138:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1138:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:459:0: note: loop vectorized xc_eval_basis.F:435:0: note: loop vectorized xc_eval_basis.F:443:0: note: loop vectorized xc_eval_basis.F:410:0: note: loop vectorized xc_eval_basis.F:410:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:2523:0: note: loop vectorized xc_eval_basis.F:2523:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1232:0: note: loop vectorized xc_eval_basis.F:1232:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1232:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1083:0: note: loop vectorized xc_eval_basis.F:1083:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1087:0: note: loop vectorized xc_eval_basis.F:1087:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1087:0: note: loop peeled for vectorization to enhance alignment xc_eval_basis.F:1138:0: note: loop vectorized xc_eval_basis.F:1138:0: note: loop versioned for vectorization because of possible aliasing xc_eval_basis.F:1138:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG a_dist.F a_dist.F:32:0: note: loop vectorized a_dist.F:32:0: note: loop peeled for vectorization to enhance alignment scat_mat.F:86:0: note: loop vectorized scat_mat.F:86:0: note: loop peeled for vectorization to enhance alignment setACmat.F:266:0: note: loop vectorized setACmat.F:266:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:266:0: note: loop peeled for vectorization to enhance alignment setACmat.F:177:0: note: loop vectorized setACmat.F:177:0: note: loop peeled for vectorization to enhance alignment setACmat.F:144:0: note: loop vectorized setACmat.F:144:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:144:0: note: loop peeled for vectorization to enhance alignment setACmat.F:153:0: note: loop vectorized setACmat.F:153:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:153:0: note: loop peeled for vectorization to enhance alignment setACmat.F:159:0: note: loop vectorized setACmat.F:159:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:159:0: note: loop peeled for vectorization to enhance alignment setACmat.F:170:0: note: loop vectorized setACmat.F:170:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG eumac.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qdist.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG scat_mat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG setACmat.F setACmat.F:213:0: note: loop vectorized setACmat.F:213:0: note: loop peeled for vectorization to enhance alignment setACmat.F:206:0: note: loop vectorized setACmat.F:206:0: note: loop peeled for vectorization to enhance alignment setACmat.F:200:0: note: loop vectorized setACmat.F:200:0: note: loop peeled for vectorization to enhance alignment setACmat.F:177:0: note: loop vectorized setACmat.F:177:0: note: loop peeled for vectorization to enhance alignment setACmat.F:144:0: note: loop vectorized setACmat.F:144:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:144:0: note: loop peeled for vectorization to enhance alignment setACmat.F:153:0: note: loop vectorized setACmat.F:153:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:153:0: note: loop peeled for vectorization to enhance alignment setACmat.F:159:0: note: loop vectorized setACmat.F:159:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:159:0: note: loop peeled for vectorization to enhance alignment setACmat.F:170:0: note: loop vectorized setACmat.F:170:0: note: loop peeled for vectorization to enhance alignment setACmat.F:238:0: note: loop vectorized setACmat.F:238:0: note: loop peeled for vectorization to enhance alignment setACmat.F:232:0: note: loop vectorized setACmat.F:232:0: note: loop peeled for vectorization to enhance alignment setACmat.F:213:0: note: loop vectorized setACmat.F:213:0: note: loop peeled for vectorization to enhance alignment setACmat.F:206:0: note: loop vectorized setACmat.F:206:0: note: loop peeled for vectorization to enhance alignment setACmat.F:200:0: note: loop vectorized setACmat.F:200:0: note: loop peeled for vectorization to enhance alignment setACmat.F:177:0: note: loop vectorized setACmat.F:177:0: note: loop peeled for vectorization to enhance alignment setACmat.F:144:0: note: loop vectorized setACmat.F:144:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:144:0: note: loop peeled for vectorization to enhance alignment setACmat.F:153:0: note: loop vectorized setACmat.F:153:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:153:0: note: loop peeled for vectorization to enhance alignment setACmat.F:159:0: note: loop vectorized setACmat.F:159:0: note: loop versioned for vectorization because of possible aliasing setACmat.F:159:0: note: loop peeled for vectorization to enhance alignment setACmat.F:170:0: note: loop vectorized setACmat.F:170:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_becke88.F xc_bnl.F: In function 'epsthreexprime': xc_bnl.F:265:0: warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision q,OneOverQ,q2,q3,DERF ^ xc_bnl.F:357:0: warning: 'q2' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision q,OneOverQ,q2 ^ xc_bnl.F: In function 'hqbnltwoprime': xc_bnl.F:357:0: warning: 'q2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F: In function 'hqbnlprime': xc_bnl.F:265:0: warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision q,OneOverQ,q2,q3,DERF ^ xc_bnl.F: In function 'epstwoxprime': xc_bnl.F:265:0: warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_bnl.F:357:0: warning: 'q2' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision q,OneOverQ,q2 ^ xc_bnl.F: In function 'epsxprime': xc_bnl.F:265:0: warning: 'q3' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision q,OneOverQ,q2,q3,DERF ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_dirac.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_bnl.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_dirac_screened.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_fitv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_hfexch.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_lebedev.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_lyp88.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_perdew86.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_perdew91.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_pw91lda.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_pw91ldag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_rhogen.F xc_rhogen.F:632:0: note: loop vectorized xc_rhogen.F:632:0: note: loop versioned for vectorization because of possible aliasing xc_rhogen.F:632:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:610:0: note: loop vectorized xc_rhogen.F:610:0: note: loop versioned for vectorization because of possible aliasing xc_rhogen.F:610:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:353:0: note: loop vectorized xc_rhogen.F:353:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:342:0: note: loop vectorized xc_rhogen.F:342:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:328:0: note: loop vectorized xc_rhogen.F:328:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:1118:0: note: loop vectorized xc_rhogen.F:1118:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:1107:0: note: loop vectorized xc_rhogen.F:1107:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F:1093:0: note: loop vectorized xc_rhogen.F:1093:0: note: loop peeled for vectorization to enhance alignment xc_rhogen.F: In function 'td_rhogen': xc_rhogen.F:1207:0: warning: 'g_keepd[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] if(ipol.eq.2) g_dens(2)=g_keepd(2) ^ xc_rhogen.F:1206:0: warning: 'g_keepd[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] g_dens(1)=g_keepd(1) ^ xc_tabcd.F:402:0: note: loop vectorized xc_tabcd.F:402:0: note: loop versioned for vectorization because of possible aliasing xc_tabcd.F:402:0: note: loop peeled for vectorization to enhance alignment xc_tabcd.F:393:0: note: loop vectorized xc_tabcd.F:393:0: note: loop peeled for vectorization to enhance alignment xc_tabcd.F:389:0: note: loop vectorized xc_tabcd.F:389:0: note: loop peeled for vectorization to enhance alignment xc_tabcd.F:315:0: note: loop vectorized xc_tabcd.F:315:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_tabcd.F ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vwn_1.F ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vwn_1_rpa.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vwn_2.F ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vwn_3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vwn_4.F ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ../include/xc_vwn_a.fh:220:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vwn_5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_eval_fnl.F xc_eval_fnl.F:1564:0: note: loop vectorized xc_eval_fnl.F:1564:0: note: loop peeled for vectorization to enhance alignment xc_eval_fnl.F:1570:0: note: loop vectorized xc_eval_fnl.F:1570:0: note: loop versioned for vectorization because of possible aliasing xc_eval_fnl.F:1570:0: note: loop peeled for vectorization to enhance alignment xc_fd.F:64.55: call xc_pert_rho(tol_rho, rho, delrho, nq, ipol, GC, 1 Warning: Type mismatch in argument 'npert' at (1); passed LOGICAL(8) to INTEGER(8) xc_fd.F:96:0: note: loop vectorized xc_fd.F:96:0: note: loop versioned for vectorization because of possible aliasing xc_fd.F:96:0: note: loop peeled for vectorization to enhance alignment xc_fd.F:118:0: note: loop vectorized xc_fd.F:118:0: note: loop versioned for vectorization because of possible aliasing xc_fd.F:118:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_fd.F xc_fd.F:297:0: note: loop vectorized xc_fd.F:297:0: note: loop versioned for vectorization because of possible aliasing xc_fd.F:297:0: note: loop peeled for vectorization to enhance alignment xc_pbe96.F: In function 'xc_cpbe96': xc_pbe96.F:1417:0: warning: 'nlfac' may be used uninitialized in this function [-Wmaybe-uninitialized] if (nlfac) then ^ xc_pbe96.F:28:0: note: 'nlfac' was declared here logical lfac, nlfac, lfacl, nlfacl ^ xc_pbe96.F:28:0: warning: 'lfac' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_pbe96.F:1056:0: warning: 'id_cpbe' may be used uninitialized in this function [-Wmaybe-uninitialized] if (id_cpbe.eq.1.or.id_cpbe.eq.3) then ^ xc_pbe96.F:24:0: note: 'id_cpbe' was declared here integer ipol, nq, id_cpbe ^ xc_pbe96.F:1448:0: warning: 'fac' may be used uninitialized in this function [-Wmaybe-uninitialized] & rhoval*dH0dna)*fac ^ xc_pbe96.F:30:0: note: 'fac' was declared here double precision fac, facl ^ xc_pbe96.F: In function 'xc_cpbe96_d2': xc_pbe96.F:1417:0: warning: 'nlfac' may be used uninitialized in this function [-Wmaybe-uninitialized] if (nlfac) then ^ xc_pbe96.F:28:0: warning: 'lfac' may be used uninitialized in this function [-Wmaybe-uninitialized] logical lfac, nlfac, lfacl, nlfacl ^ xc_pbe96.F:1056:0: warning: 'id_cpbe' may be used uninitialized in this function [-Wmaybe-uninitialized] if (id_cpbe.eq.1.or.id_cpbe.eq.3) then ^ xc_pbe96.F:1448:0: warning: 'fac' may be used uninitialized in this function [-Wmaybe-uninitialized] & rhoval*dH0dna)*fac ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_pbe96.F xc_pbe96.F:316:0: note: basic block vectorized xc_pbe96.F: In function 'xc_cpbe96_d3': xc_pbe96.F:121:0: warning: 'fatden2' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision fAtden2 ^ xc_pbe96.F:1149:0: warning: 'dfatnumdt' may be used uninitialized in this function [-Wmaybe-uninitialized] 8 (fAtden4) ^ xc_pbe96.F:104:0: warning: 'dfatnumda' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision fAtnum, dfAtnumdt, dfAtnumdA ^ xc_pbe96.F:134:0: warning: 'd2fatnumdtda' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 ^ xc_pbe96.F:1149:0: warning: 'd2fatnumdt2' may be used uninitialized in this function [-Wmaybe-uninitialized] 8 (fAtden4) ^ xc_pbe96.F:1417:0: warning: 'nlfac' may be used uninitialized in this function [-Wmaybe-uninitialized] if (nlfac) then ^ xc_pbe96.F:28:0: warning: 'lfac' may be used uninitialized in this function [-Wmaybe-uninitialized] logical lfac, nlfac, lfacl, nlfacl ^ xc_pbe96.F:1056:0: warning: 'id_cpbe' may be used uninitialized in this function [-Wmaybe-uninitialized] if (id_cpbe.eq.1.or.id_cpbe.eq.3) then ^ xc_pbe96.F:1448:0: warning: 'fac' may be used uninitialized in this function [-Wmaybe-uninitialized] & rhoval*dH0dna)*fac ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_hcth.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xpbe96.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xpw91.F xc_tarad.F:124:0: note: loop vectorized xc_tarad.F:124:0: note: loop peeled for vectorization to enhance alignment xc_signf.F:90:0: note: loop vectorized xc_signf.F:90:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_tarad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_murakn.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_signf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_gill96.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xmpw91.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xpkzb99.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cpkzb99.F xc_ctpss03.F: In function 'xc_ctpss03': xc_ctpss03.F:448:0: warning: 'ccc' may be used uninitialized in this function [-Wmaybe-uninitialized] en = pbe*(1.d0 + ccc*xx2) ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cMpbe96.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xtpss03.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_ctpss03.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_oep.F xc_oep.F:19:0: note: loop vectorized xc_oep.F:19:0: note: loop versioned for vectorization because of possible aliasing xc_oep.F:19:0: note: loop peeled for vectorization to enhance alignment xc_oep.F:76:0: note: loop vectorized xc_oep.F:76:0: note: loop versioned for vectorization because of possible aliasing xc_oep.F:76:0: note: loop peeled for vectorization to enhance alignment xc_sic.F:205:0: note: loop vectorized xc_sic.F:205:0: note: loop versioned for vectorization because of possible aliasing xc_sic.F:205:0: note: loop peeled for vectorization to enhance alignment localize_sic.F:125:0: note: loop vectorized localize_sic.F:125:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_sic_pert.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_sic.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG localize_sic.F xc_replicated.F:173:0: note: loop vectorized xc_replicated.F:173:0: note: loop versioned for vectorization because of possible aliasing xc_replicated.F:173:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_optx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_optc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_atomblock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_replicated.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_ft97.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_lb94.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cs00.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_op.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_kop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_bc95.F xc_xm05.F: In function 'xc_xm05': xc_xm05.F:53:0: warning: 'at9' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ xc_xm05.F:53:0: warning: 'at8' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: warning: 'at7' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: warning: 'at6' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: warning: 'at5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: warning: 'at4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: warning: 'at3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: warning: 'at2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:54:0: warning: 'at11' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision at, at10, at11, C1, C2, fL, fNL ^ xc_xm05.F:54:0: warning: 'at10' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm05.F:53:0: warning: 'at1' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ xc_cm05.F: In function 'm05css': xc_cm05.F:339:0: warning: 'sss4' may be used uninitialized in this function [-Wmaybe-uninitialized] W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) ^ xc_cm05.F:350:0: warning: 'sss3' may be used uninitialized in this function [-Wmaybe-uninitialized] dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) ^ xc_cm05.F:350:0: warning: 'sss2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F:350:0: warning: 'sss1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm05.F: In function 'xc_cm05': xc_cm05.F:229:0: warning: 'sopp4' may be used uninitialized in this function [-Wmaybe-uninitialized] dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) ^ xc_cm05.F:82:0: note: 'sopp4' was declared here double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ xc_cm05.F:220:0: warning: 'sopp3' may be used uninitialized in this function [-Wmaybe-uninitialized] W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) ^ xc_cm05.F:82:0: note: 'sopp3' was declared here double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ xc_cm05.F:220:0: warning: 'sopp2' may be used uninitialized in this function [-Wmaybe-uninitialized] W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) ^ xc_cm05.F:82:0: note: 'sopp2' was declared here double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ xc_cm05.F:229:0: warning: 'sopp1' may be used uninitialized in this function [-Wmaybe-uninitialized] dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) ^ xc_cm05.F:82:0: note: 'sopp1' was declared here double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xm05.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cm05.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xpw6.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xvs98.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cvs98.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xm06.F xc_xm06.F: In function 'xc_xm06': xc_xm06.F:56:0: warning: 'at9' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ xc_xm06.F:56:0: warning: 'at8' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: warning: 'at7' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: warning: 'at6' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: warning: 'at5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: warning: 'at4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: warning: 'at3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: warning: 'at2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:57:0: warning: 'at11' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision at, at10, at11, at0, C1, C2, fL, fNL ^ xc_xm06.F:57:0: warning: 'at10' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xm06.F:56:0: warning: 'at1' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 ^ xc_xm06.F:57:0: warning: 'at0' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision at, at10, at11, at0, C1, C2, fL, fNL ^ xc_cm06.F: In function 'm06css': xc_cm06.F:394:0: warning: 'sss4' may be used uninitialized in this function [-Wmaybe-uninitialized] W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) ^ xc_cm06.F:405:0: warning: 'sss3' may be used uninitialized in this function [-Wmaybe-uninitialized] dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) ^ xc_cm06.F:405:0: warning: 'sss2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:405:0: warning: 'sss1' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_cm06.F:394:0: warning: 'sss0' may be used uninitialized in this function [-Wmaybe-uninitialized] W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) ^ xc_cm06.F: In function 'xc_cm06': xc_cm06.F:270:0: warning: 'sopp4' may be used uninitialized in this function [-Wmaybe-uninitialized] dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) ^ xc_cm06.F:87:0: note: 'sopp4' was declared here double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ xc_cm06.F:261:0: warning: 'sopp3' may be used uninitialized in this function [-Wmaybe-uninitialized] W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) ^ xc_cm06.F:87:0: note: 'sopp3' was declared here double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ xc_cm06.F:261:0: warning: 'sopp2' may be used uninitialized in this function [-Wmaybe-uninitialized] W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) ^ xc_cm06.F:87:0: note: 'sopp2' was declared here double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ xc_cm06.F:270:0: warning: 'sopp1' may be used uninitialized in this function [-Wmaybe-uninitialized] dWdU =sopp1+U*(F2*sopp2+U*(F3*sopp3+U*F4*sopp4)) ^ xc_cm06.F:87:0: note: 'sopp1' was declared here double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ xc_cm06.F:261:0: warning: 'sopp0' may be used uninitialized in this function [-Wmaybe-uninitialized] W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) ^ xc_cm06.F:87:0: note: 'sopp0' was declared here double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cm06.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_spbe96.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_kt1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_ssbD_1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_s12x.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cams12x.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_camb88.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_att_xc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_camxpbe96.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_camxlsd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xwpbe.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hse08fx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vdw_main.F xc_vdw_main.F:848:0: note: loop vectorized xc_vdw_util.F:313:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_vdw_util.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xsogga.F xc_xsogga.F: In function 'xc_xsogga': xc_xsogga.F:56:0: warning: 'cxa0' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 ^ xc_xsogga.F:57:0: warning: 'cxb0' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 ^ xc_xsogga.F:56:0: warning: 'cxa2' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 ^ xc_xsogga.F:56:0: warning: 'cxa3' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: warning: 'cxa4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: warning: 'cxb3' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 ^ xc_xsogga.F:57:0: warning: 'cxb5' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: warning: 'cxb2' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:57:0: warning: 'cxb4' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_xsogga.F:56:0: warning: 'cxa5' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 ^ xc_xsogga.F:57:0: warning: 'cxb1' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 ^ xc_xsogga.F:56:0: warning: 'cxa1' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xmvs15.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xm11.F xc_csogga.F: In function 'xc_csogga': xc_csogga.F:65:0: warning: 'ccb[5]' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision CcA(0:5),CcB(0:5) ^ xc_csogga.F:65:0: warning: 'ccb[4]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: warning: 'ccb[3]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: warning: 'ccb[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: warning: 'ccb[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: warning: 'cca[5]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: warning: 'cca[4]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: warning: 'cca[3]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: warning: 'cca[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] xc_csogga.F:65:0: warning: 'cca[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_csogga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cm11.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG steric_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_3rd_deriv.F xc_3rd_deriv.F:124:0: note: loop vectorized xc_3rd_deriv.F:124:0: note: loop versioned for vectorization because of possible aliasing xc_3rd_deriv.F:124:0: note: loop peeled for vectorization to enhance alignment xc_3rd_deriv.F:591:0: note: loop vectorized xc_3rd_deriv.F:591:0: note: loop peeled for vectorization to enhance alignment xc_3rd_deriv.F:603:0: note: loop vectorized xc_3rd_deriv.F:603:0: note: loop versioned for vectorization because of possible aliasing xc_3rd_deriv.F:603:0: note: loop peeled for vectorization to enhance alignment xc_3rd_deriv.F:714:0: note: loop vectorized xc_3rd_deriv.F:714:0: note: loop peeled for vectorization to enhance alignment xc_3rd_deriv.F:725:0: note: loop vectorized xc_3rd_deriv.F:725:0: note: loop versioned for vectorization because of possible aliasing xc_3rd_deriv.F:725:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xpw86.F xc_xdm.F:350:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xb86b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_xdm.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a xc_getv.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_vdw_main.o xc_vdw_util.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/xc' Making all in util make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_chol.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_inverse.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_chol_seq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_inv_seq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_invio.F make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_gather.F dft_mpole.F:65:0: note: loop vectorized dft_mpole.F:60:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_header.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_mpole.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_scatter.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_tstamp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_pstrace.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_col.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG movecs_log.F nbf_to_mbf.F:87:0: note: loop vectorized nbf_to_mbf.F:87:0: note: loop peeled for vectorization to enhance alignment nbf_to_mbf.F:74:0: note: loop vectorized nbf_to_mbf.F:74:0: note: loop peeled for vectorization to enhance alignment dft_frozemb.F:195:0: note: loop vectorized dft_frozemb.F:195:0: note: loop peeled for vectorization to enhance alignment dft_frozemb.F:123:0: note: loop vectorized dft_frozemb.F:123:0: note: loop peeled for vectorization to enhance alignment dft_frozemb.F:116:0: note: loop vectorized dft_frozemb.F:116:0: note: loop peeled for vectorization to enhance alignment sca_lab_mat.F:44:0: note: loop vectorized sca_lab_mat.F:44:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nbf_to_mbf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_frozemb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sca_lab_mat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_utilmap.F dft_utilmap.F:152:0: note: loop vectorized dft_utilmap.F:152:0: note: loop peeled for vectorization to enhance alignment dft_utilmap.F:158:0: note: loop vectorized dft_utilmap.F:158:0: note: loop peeled for vectorization to enhance alignment dft_utilmap.F:164:0: note: loop vectorized dft_utilmap.F:164:0: note: loop peeled for vectorization to enhance alignment dft_utilmap.F:152:0: note: loop vectorized dft_utilmap.F:152:0: note: loop peeled for vectorization to enhance alignment dft_utilmap.F:158:0: note: loop vectorized dft_utilmap.F:158:0: note: loop peeled for vectorization to enhance alignment dft_utilmap.F:164:0: note: loop vectorized dft_utilmap.F:164:0: note: loop peeled for vectorization to enhance alignment dft_utilmap.F: In function 'util_ga_mat_reduce': dft_utilmap.F:68:0: warning: 'offs' may be used uninitialized in this function [-Wmaybe-uninitialized] integer lo(3),hi(3),ld(2),ld12,offs ^ dft_utilmap.F:292:0: note: loop vectorized dft_utilmap.F:292:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_genutils.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o sca_lab_mat.o dft_utilmap.o dft_genutils.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/util' Making all in grid make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_sic.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_checks.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_balance.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_rtrunc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_atom_type_info.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_setquad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_setrad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_setang.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_invariant.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_setspac_params.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_acc_def.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_memory.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_update_rtdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_tasks.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_gen_pts.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_setspac.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_neighb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_cleanup.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_gaussq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_finpts.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_loop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_xcfit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_loop.F grid_ssw.F:115:0: note: loop vectorized grid_ssw.F:115:0: note: loop peeled for vectorization to enhance alignment grid_ssw.F:53:0: note: loop vectorized make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_pscreen.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_sphere.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_ssw.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_sswold.F grid_sswold.F:159:0: note: loop vectorized grid_sswold.F:159:0: note: loop peeled for vectorization to enhance alignment grid_sswold.F:65:0: note: loop vectorized grid_sswold.F: In function 'grid_sswold': grid_sswold.F:36:0: warning: 'ass' may be used uninitialized in this function [-Wmaybe-uninitialized] double precision ass,distnc,distnn,wsum ^ grid_beckew.F:41:0: note: loop vectorized grid_signf.F:94:0: note: loop vectorized grid_signf.F:94:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_beckew.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_signf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_quadvw.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_quadvw1.F grid_utils.F:257:0: note: loop vectorized grid_utils.F:257:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_bucket.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_utils.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_sympts.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_qpts.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_quadv0.F grid_quadv0a.F: In function 'grid_quadv0a': grid_quadv0a.F:182:0: warning: 'oprint_qbecke' may be used uninitialized in this function [-Wmaybe-uninitialized] if(oprint_qbecke) then ^ grid_quadv0a.F:50:0: note: 'oprint_qbecke' was declared here logical oprint_qbecke ^ grid_quadv0b.F:535:0: note: loop vectorized grid_quadv0b.F:535:0: note: loop peeled for vectorization to enhance alignment grid_quadv0b.F:517:0: note: loop vectorized grid_quadv0b.F:517:0: note: loop peeled for vectorization to enhance alignment grid_quadv0b.F:113:0: note: loop vectorized grid_quadv0b.F:113:0: note: loop peeled for vectorization to enhance alignment grid_quadv0b.F:110:0: note: loop vectorized grid_quadv0b.F:110:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_quadv0a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_quadv0b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_quadvc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_file.F grid_eaf.F:29:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grid_eaf.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/grid' Making all in dftgrad make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_grad_top.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_getxc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_gradients.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG grad_dft.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_getcden.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_getxden.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_gridpart.F dftg_gridv0.F:30.28: . iga_dens, force, 0d0, 0, 1, natoms, 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-2 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_gridv0a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_gridv0.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_gridv0b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_griddo.F dftg_cdfit.F:30.43: & iga_dens, force, 0d0, 0, 0d0, 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_cdfit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_quadv0b.F dftg_quadv0b.F:142:0: note: loop vectorized dftg_quadv0b.F:142:0: note: loop peeled for vectorization to enhance alignment dftg_quadv0b.F:109:0: note: loop vectorized dftg_quadv0b.F:109:0: note: loop versioned for vectorization because of possible aliasing dftg_quadv0b.F:109:0: note: loop peeled for vectorization to enhance alignment dftg_quadv0b.F:102:0: note: loop vectorized dftg_quadv0b.F:102:0: note: loop versioned for vectorization because of possible aliasing dftg_quadv0b.F:102:0: note: loop peeled for vectorization to enhance alignment dftg_quadv0b.F:60:0: note: loop vectorized dftg_quadv0b.F:60:0: note: loop peeled for vectorization to enhance alignment dftg_grad2.F:35.45: call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_grad2.F: In function 'dftg_grad2_gen': dftg_grad2.F:333:0: warning: 'scale' may be used uninitialized in this function [-Wmaybe-uninitialized] & q4*scale, idatom, if1, il1, if2, il2, if3, il3, if4, il4) ^ dftg_grad2.F:76:0: note: 'scale' was declared here double precision tol2e, s34(nat), s12, q2, q4, scale ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_grad2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dint_block_j.F dint_block_j.F:31:0: note: loop vectorized dint_block_j.F:31:0: note: loop peeled for vectorization to enhance alignment dint_block_j.F:112:0: note: loop vectorized dint_block_j.F:112:0: note: loop peeled for vectorization to enhance alignment dint_block_j.F:189:0: note: loop vectorized dint_block_j.F:189:0: note: loop peeled for vectorization to enhance alignment j_nucder_gen.F:21.55: call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-2 and scalar) j_nucder_gen.F:38.49: call j_deriv_gen(g_dens, oactive, nactive, 0d0, g_rhs, 3) 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG j_nucder_gen.F dftg_beckew.F:281:0: note: loop vectorized dftg_beckew.F:281:0: note: loop versioned for vectorization because of possible aliasing dftg_beckew.F:274:0: note: loop vectorized dftg_beckew.F:274:0: note: loop versioned for vectorization because of possible aliasing dftg_beckew.F:243:0: note: loop vectorized dftg_beckew.F:243:0: note: loop peeled for vectorization to enhance alignment dftg_beckew.F:120:0: note: loop vectorized dftg_beckew.F:120:0: note: loop peeled for vectorization to enhance alignment dftg_beckew.F:93:0: note: loop vectorized dftg_beckew.F:93:0: note: loop versioned for vectorization because of possible aliasing dftg_beckew.F:93:0: note: loop peeled for vectorization to enhance alignment dftg_gridssw.F:179:0: note: loop vectorized dftg_gridssw.F:179:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_beckew.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_wderiv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_gridssw.F dftg_gridsswold.F:190:0: note: loop vectorized dftg_gridsswold.F:190:0: note: loop peeled for vectorization to enhance alignment dftg_gridsswold.F: In function 'dftg_gridsswold': dftg_gridsswold.F:239:0: warning: 'alpha_erf' may be used uninitialized in this function [-Wmaybe-uninitialized] mu1=mu1*alpha_erf ^ dftg_gridsswold.F:46:0: note: 'alpha_erf' was declared here double precision xa,ya,za,alpha_erf ^ dftg_signf.F:87:0: note: loop vectorized dftg_signf.F:87:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_gridsswold.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dftg_signf.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/dftgrad' Making all in lr_tddft make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_memory.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_iguess.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_dump.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_davidson.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_transfm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_contract.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_epsilon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_subspace.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_diagon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_residual.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_analysis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_dftinit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_finalize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_schmidt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_fold.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_bdtensor.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_patch.F make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft' Making all in lr_tddft_grad make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft_grad' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_finalize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_print_info.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_ints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_print_header.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_root_e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_xy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_load_mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_load_xy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_tp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_t.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_r.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_r.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_trans_mo2ao.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_trans_ao2mo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_mat_to_vec.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_solve.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_epsilon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_solve_product.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_solve_precond.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_p.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_w.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_g.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_dao.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_get_dens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_g.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_grad_1e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_grad_2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_make_2pdm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_print_result.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_print_array.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_compute_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_anti_symmetrize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_gxc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_irreg_acc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_fxc_l.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_fix_exc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_store_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_util_print.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_solve_load_x.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_solve_save_x.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_dxcdmat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_dfxc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_quadv0b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT tddft_grad_dvxc.F make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft_grad' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft_grad' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/lr_tddft_grad' Making all in zora make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_utils.F dft_zora_utils.F: In function 'dft_zora_scale': dft_zora_utils.F:198:0: warning: 'scf_dbl' may be used uninitialized in this function [-Wmaybe-uninitialized] scale_MO=scf_dbl*focc(ind_occ) ^ dft_zora_utils.F:44:0: note: 'scf_dbl' was declared here double precision eval_scal,ener_scal,scf_dbl ^ dft_zora_utils_so.F:31:0: warning: extra tokens at end of #include directive #include "rtdb.fh" ! FA ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_utils_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_rhos.F dft_zora_rhos.F:125:0: note: loop vectorized dft_zora_rhos.F:125:0: note: loop versioned for vectorization because of possible aliasing dft_zora_rhos.F:125:0: note: loop peeled for vectorization to enhance alignment dft_zora_rhos.F:119:0: note: loop vectorized dft_zora_rhos.F:119:0: note: loop versioned for vectorization because of possible aliasing dft_zora_rhos.F:119:0: note: loop peeled for vectorization to enhance alignment dft_zora_rhos_so.F:407:0: warning: extra tokens at end of #include directive #include "zora.fh" ! Added by FA ^ dft_zora_rhos_so.F:655:0: note: basic block vectorized dft_zora_rhos_so.F: In function 'hnd_efgmap_z4_so': dft_zora_rhos_so.F:431:0: warning: 'i_cbq' may be used uninitialized in this function [-Wmaybe-uninitialized] integer i_cbq ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_rhos_so.F gridNuclearPotential.F:14:0: warning: extra tokens at end of #include directive #include "global.fh" ! Added for using ga_nodeid() ^ gridNuclearPotential.F:75:0: warning: extra tokens at end of #include directive #include "global.fh" ! Added for using ga_nodeid() ^ zora_getv_EFGZ4_SR.F:97:0: note: loop vectorized zora_getv_EFGZ4_SR.F:97:0: note: loop peeled for vectorization to enhance alignment zora_getv_EFGZ4_SR.F:90:0: note: loop vectorized zora_getv_EFGZ4_SR.F:90:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SR.F:122:0: note: loop vectorized calc_zora_EFGZ4_SR.F:122:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SR.F:122:0: note: loop vectorized calc_zora_EFGZ4_SR.F:122:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SR.F:122:0: note: loop vectorized calc_zora_EFGZ4_SR.F:122:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SR.F:77:0: note: loop vectorized calc_zora_EFGZ4_SR.F:77:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SR.F:73:0: note: loop vectorized calc_zora_EFGZ4_SR.F:73:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SR.F:62:0: note: loop vectorized calc_zora_EFGZ4_SR.F:62:0: note: loop versioned for vectorization because of possible aliasing calc_zora_EFGZ4_SR.F:62:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG gridNuclearPotential.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG gridQpqPotential.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_EFGZ4_SR.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_EFGZ4_SR.F zora_getv_EFGZ4_SO.F:105:0: note: loop vectorized zora_getv_EFGZ4_SO.F:105:0: note: loop peeled for vectorization to enhance alignment zora_getv_EFGZ4_SO.F:98:0: note: loop vectorized zora_getv_EFGZ4_SO.F:98:0: note: loop peeled for vectorization to enhance alignment zora_getv_EFGZ4_SO.F:72:0: note: loop vectorized zora_getv_EFGZ4_SO.F:72:0: note: loop versioned for vectorization because of possible aliasing zora_getv_EFGZ4_SO.F:72:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SO.F:154:0: note: loop vectorized calc_zora_EFGZ4_SO.F:154:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SO.F:154:0: note: loop vectorized calc_zora_EFGZ4_SO.F:154:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SO.F:88:0: note: loop vectorized calc_zora_EFGZ4_SO.F:88:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SO.F:84:0: note: loop vectorized calc_zora_EFGZ4_SO.F:84:0: note: loop peeled for vectorization to enhance alignment calc_zora_EFGZ4_SO.F:72:0: note: loop vectorized calc_zora_EFGZ4_SO.F:72:0: note: loop versioned for vectorization because of possible aliasing calc_zora_EFGZ4_SO.F:72:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_EFGZ4_SO.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_EFGZ4_SO.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_NMR.F zora_getv_NMRCS_SR.F:156:0: note: loop vectorized zora_getv_NMRCS_SR.F:156:0: note: loop peeled for vectorization to enhance alignment zora_getv_NMRCS_SR.F:150:0: note: loop vectorized zora_getv_NMRCS_SR.F:150:0: note: loop peeled for vectorization to enhance alignment zora_getv_NMRCS_SR.F:122:0: note: loop vectorized zora_getv_NMRCS_SR.F:122:0: note: loop versioned for vectorization because of possible aliasing zora_getv_NMRCS_SR.F:122:0: note: loop peeled for vectorization to enhance alignment zora_getv_NMRCS_SR.F:117:0: note: loop vectorized zora_getv_NMRCS_SR.F:117:0: note: loop versioned for vectorization because of possible aliasing zora_getv_NMRCS_SR.F:117:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_NMRCS_SR.F zora_getv_NMRCS_SR.F:527:0: note: loop vectorized zora_getv_NMRCS_SR.F:527:0: note: loop peeled for vectorization to enhance alignment zora_getv_NMRCS_SR.F:521:0: note: loop vectorized zora_getv_NMRCS_SR.F:521:0: note: loop peeled for vectorization to enhance alignment zora_getv_NMRCS_SR.F:495:0: note: loop vectorized zora_getv_NMRCS_SR.F:495:0: note: loop versioned for vectorization because of possible aliasing zora_getv_NMRCS_SR.F:495:0: note: loop peeled for vectorization to enhance alignment zora_getv_NMRCS_SR.F:487:0: note: loop vectorized zora_getv_NMRCS_SR.F:487:0: note: loop versioned for vectorization because of possible aliasing zora_getv_NMRCS_SR.F:487:0: note: loop peeled for vectorization to enhance alignment calc_zora_NMRCS_SR.F:177:0: note: loop vectorized calc_zora_NMRCS_SR.F:177:0: note: loop peeled for vectorization to enhance alignment calc_zora_NMRCS_SR.F:171:0: note: loop vectorized calc_zora_NMRCS_SR.F:171:0: note: loop peeled for vectorization to enhance alignment calc_zora_NMRCS_SR.F:165:0: note: loop vectorized calc_zora_NMRCS_SR.F:165:0: note: loop peeled for vectorization to enhance alignment calc_zora_NMRCS_SR.F:158:0: note: loop vectorized calc_zora_NMRCS_SR.F:158:0: note: loop versioned for vectorization because of possible aliasing calc_zora_NMRCS_SR.F:158:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_NMRCS_SR.F calc_zora_NMRCS_SR.F:381:0: note: loop vectorized calc_zora_NMRCS_SR.F:381:0: note: loop peeled for vectorization to enhance alignment calc_zora_NMRCS_SR.F:374:0: note: loop vectorized calc_zora_NMRCS_SR.F:374:0: note: loop versioned for vectorization because of possible aliasing calc_zora_NMRCS_SR.F:374:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_EPR.F dft_zora_EPR.F:353:0: note: loop vectorized dft_zora_EPR.F:353:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_EPR-NMR_tools.F dft_zora_EPR-NMR_tools.F:55:0: note: loop vectorized dft_zora_EPR-NMR_tools.F:55:0: note: loop versioned for vectorization because of possible aliasing dft_zora_EPR-NMR_tools.F:121:0: note: loop vectorized dft_zora_EPR-NMR_tools.F:121:0: note: loop versioned for vectorization because of possible aliasing dft_zora_EPR-NMR_tools.F:121:0: note: loop peeled for vectorization to enhance alignment dft_zora_EPR-NMR_tools.F:1003:0: note: loop vectorized dft_zora_EPR-NMR_tools.F:1003:0: note: loop peeled for vectorization to enhance alignment dft_zora_EPR-NMR_tools.F:989:0: note: loop vectorized dft_zora_EPR-NMR_tools.F:989:0: note: loop peeled for vectorization to enhance alignment dft_zora_EPR-NMR_tools.F:1284:0: note: loop vectorized dft_zora_EPR-NMR_tools.F:1284:0: note: loop peeled for vectorization to enhance alignment dft_zora_EPR-NMR_tools.F:1410:0: note: loop vectorized dft_zora_EPR-NMR_tools.F:1410:0: note: loop peeled for vectorization to enhance alignment zora_getv_EPR.F:118:0: note: loop vectorized zora_getv_EPR.F:118:0: note: loop peeled for vectorization to enhance alignment zora_getv_EPR.F:112:0: note: loop vectorized zora_getv_EPR.F:112:0: note: loop peeled for vectorization to enhance alignment zora_getv_EPR.F:85:0: note: loop vectorized zora_getv_EPR.F:85:0: note: loop versioned for vectorization because of possible aliasing zora_getv_EPR.F:85:0: note: loop peeled for vectorization to enhance alignment zora_getv_EPR.F:80:0: note: loop vectorized zora_getv_EPR.F:80:0: note: loop versioned for vectorization because of possible aliasing zora_getv_EPR.F:80:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_EPR.F calc_zora_EPR.F:137:0: note: loop vectorized calc_zora_EPR.F:137:0: note: loop peeled for vectorization to enhance alignment calc_zora_EPR.F:130:0: note: loop vectorized calc_zora_EPR.F:130:0: note: loop versioned for vectorization because of possible aliasing calc_zora_EPR.F:130:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_EPR.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_zora_Hyperfine.F zora_getv_HFine.F:112:0: note: loop vectorized zora_getv_HFine.F:112:0: note: loop peeled for vectorization to enhance alignment zora_getv_HFine.F:106:0: note: loop vectorized zora_getv_HFine.F:106:0: note: loop peeled for vectorization to enhance alignment zora_getv_HFine.F:409:0: note: loop vectorized zora_getv_HFine.F:409:0: note: loop peeled for vectorization to enhance alignment zora_getv_HFine.F:403:0: note: loop vectorized zora_getv_HFine.F:403:0: note: loop peeled for vectorization to enhance alignment zora_getv_HFine.F:370:0: note: loop vectorized zora_getv_HFine.F:370:0: note: loop versioned for vectorization because of possible aliasing zora_getv_HFine.F:370:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_HFine.F zora_getv_HFine.F:705:0: note: loop vectorized zora_getv_HFine.F:705:0: note: loop peeled for vectorization to enhance alignment zora_getv_HFine.F:699:0: note: loop vectorized zora_getv_HFine.F:699:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:722:0: note: loop vectorized calc_zora_HFine.F:722:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:138:0: note: loop vectorized calc_zora_HFine.F:138:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:119:0: note: loop vectorized calc_zora_HFine.F:119:0: note: loop versioned for vectorization because of possible aliasing calc_zora_HFine.F:119:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_HFine.F calc_zora_HFine.F:388:0: note: loop vectorized calc_zora_HFine.F:388:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:367:0: note: loop vectorized calc_zora_HFine.F:367:0: note: loop versioned for vectorization because of possible aliasing calc_zora_HFine.F:367:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:722:0: note: loop vectorized calc_zora_HFine.F:722:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:647:0: note: loop vectorized calc_zora_HFine.F:647:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:647:0: note: loop vectorized calc_zora_HFine.F:647:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:661:0: note: loop vectorized calc_zora_HFine.F:661:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:661:0: note: loop vectorized calc_zora_HFine.F:661:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:642:0: note: loop vectorized calc_zora_HFine.F:642:0: note: loop peeled for vectorization to enhance alignment calc_zora_HFine.F:624:0: note: loop vectorized calc_zora_HFine.F:624:0: note: loop versioned for vectorization because of possible aliasing calc_zora_HFine.F:624:0: note: loop peeled for vectorization to enhance alignment zora_getv_sf.F:112:0: note: loop vectorized zora_getv_sf.F:112:0: note: loop peeled for vectorization to enhance alignment zora_getv_sf.F:105:0: note: loop vectorized zora_getv_sf.F:105:0: note: loop peeled for vectorization to enhance alignment zora_getv_sf.F:70:0: note: loop vectorized zora_getv_sf.F:70:0: note: loop versioned for vectorization because of possible aliasing zora_getv_sf.F:70:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_sf.F zora_getv_so.F:102:0: note: loop vectorized zora_getv_so.F:102:0: note: loop peeled for vectorization to enhance alignment zora_getv_so.F:96:0: note: loop vectorized zora_getv_so.F:96:0: note: loop peeled for vectorization to enhance alignment calc_EFG.F:92:0: note: loop vectorized calc_EFG.F:92:0: note: loop peeled for vectorization to enhance alignment calc_EFG.F:92:0: note: loop vectorized calc_EFG.F:92:0: note: loop peeled for vectorization to enhance alignment calc_EFG.F:92:0: note: loop vectorized calc_EFG.F:92:0: note: loop peeled for vectorization to enhance alignment calc_EFG.F:51:0: note: loop vectorized calc_EFG.F:51:0: note: loop peeled for vectorization to enhance alignment calc_EFG.F:47:0: note: loop vectorized calc_EFG.F:47:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:166:0: note: loop vectorized calc_zora_sf.F:166:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG zora_getv_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_EFG.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_sf.F calc_zora_sf.F:166:0: note: loop vectorized calc_zora_sf.F:166:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:166:0: note: loop vectorized calc_zora_sf.F:166:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:91:0: note: loop vectorized calc_zora_sf.F:91:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:91:0: note: loop vectorized calc_zora_sf.F:91:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:108:0: note: loop vectorized calc_zora_sf.F:108:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:108:0: note: loop vectorized calc_zora_sf.F:108:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:87:0: note: loop vectorized calc_zora_sf.F:87:0: note: loop peeled for vectorization to enhance alignment calc_zora_sf.F:69:0: note: loop vectorized calc_zora_sf.F:69:0: note: loop versioned for vectorization because of possible aliasing calc_zora_sf.F:69:0: note: loop peeled for vectorization to enhance alignment calc_zora_so.F:162:0: note: loop vectorized calc_zora_so.F:162:0: note: loop peeled for vectorization to enhance alignment calc_zora_so.F:162:0: note: loop vectorized calc_zora_so.F:162:0: note: loop peeled for vectorization to enhance alignment calc_zora_so.F:81:0: note: loop vectorized calc_zora_so.F:81:0: note: loop peeled for vectorization to enhance alignment calc_zora_so.F:77:0: note: loop vectorized calc_zora_so.F:77:0: note: loop peeled for vectorization to enhance alignment calc_zora_so.F:69:0: note: loop vectorized calc_zora_so.F:69:0: note: loop versioned for vectorization because of possible aliasing calc_zora_so.F:69:0: note: loop peeled for vectorization to enhance alignment calc_zora_so.F:55:0: note: loop vectorized calc_zora_so.F:55:0: note: loop versioned for vectorization because of possible aliasing calc_zora_so.F:55:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG calc_zora_so.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridQpqPotential.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/zora' Making all in spec make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' dft_vspec.F:276:0: note: loop vectorized dft_vspec.F:276:0: note: loop versioned for vectorization because of possible aliasing dft_vspec.F:276:0: note: loop peeled for vectorization to enhance alignment dft_vspec.F:231:0: note: loop vectorized dft_vspec.F:231:0: note: loop versioned for vectorization because of possible aliasing dft_vspec.F:231:0: note: loop peeled for vectorization to enhance alignment make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_PDSYVER dft_vspec.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_PDSYVER dft_vspec_so.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I../grid -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DUSE_PDSYVER dft_xps.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/spec' Making all in rt_tddft make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include -I../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft.F Making all in matutils make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/matutils' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT convert_d2z.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT convert_z2d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT pack_buffer2ga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT pack_ga2buffer.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT matutils.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT dmat_io.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zmat_diag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zmat_inv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zmat_checksum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zmat_spectral_range.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zmat_max_abs_elem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zmat_compare.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT elem_compare.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT calc_array_partitioning.F make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/matutils' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/matutils' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/matutils' Making all in rtutils make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/rtutils' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_debug.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_header.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_output.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_calc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_movecs_gs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_movecs_import.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_moocc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_atpoint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_snapshot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_geom_mask.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_estimate_rem.F rt_tddft_excite.F:81.35: call rt_tddft_update_fields (params, tt) 1 Warning: Dummy argument 'params' with INTENT(IN) in variable definition context (actual argument to INTENT = OUT/INOUT) at (1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_vec_quad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_excite.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_checkpoint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_zora_scale.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_project.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_zdens_tot_movecs.F make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/rtutils' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/rtutils' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/rtutils' Making all in input make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/input' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input_put_defaults.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input_field.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input_print.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input_excite.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input_tolerances.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input_visualization.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_input.F make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/input' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/input' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/input' Making all in init make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/init' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_coulcdfit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_zora.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_dip_quad_ints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_fock2e.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_geoms.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_rtdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_check_params.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_overlap_canorg.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_init_common.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_clean.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT task_rt_tddft.F make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/init' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/init' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/init' Making all in canorg make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/canorg' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT canorg_check.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT canorg_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT canorg_clean.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT canorg_trans.F make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/canorg' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/canorg' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/canorg' Making all in propagators make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/propagators' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT exp_diag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT exp_pseries.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT prop_euler.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT prop_magnus_exp_bch.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT prop_magnus_exp_bch_scaled.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT prop_magnus_ord2_interpol.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT prop_magnus_ord2_step.F make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/propagators' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/propagators' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/propagators' Making all in closedshell make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/closedshell' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_build.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_core.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_core_scalarzora.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_coulcdfit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_coul_exchre.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_coul.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_dftxc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_exch.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_cs_exchim.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_cs_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_cs_confirm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_cs_checkpoint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_cs_restart.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_cs_prop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_cs_tdfock.F make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/closedshell' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/closedshell' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/closedshell' Making all in openshell make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/openshell' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_build.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_core.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_core_scalarzora.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_coul.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_coulcdfit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_exch.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT zfock_os_dftxc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_confirm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_prop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_tdfock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_checkpoint.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_print.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../../include -I../../../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_os_restart.F make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/openshell' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/openshell' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft/openshell' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a rt_tddft.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft/rt_tddft' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a nwdft.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwdft.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwdft' Making libraries in rimp2 make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2_v_e2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mk_1d_shdist.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ga_by_shells.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xf3ci_step12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xf3ci_step3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xform_3cints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG occ_ranges.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2_xf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG close_3ci.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG open_3ci.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG put_3cints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_3cints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dgecop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O lnblnk.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG max_v_diag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2_parm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2_timers.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pr_corr_map.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prog_report.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xf3ci_mem12.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O iamax.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2_e_mem.F rimp2_denom.F:159:0: note: loop vectorized rimp2_denom.F:159:0: note: loop peeled for vectorization to enhance alignment rimp2_denom.F:159:0: note: loop vectorized rimp2_denom.F:159:0: note: loop peeled for vectorization to enhance alignment sum_pairs.F:94:0: note: loop vectorized sum_pairs.F:94:0: note: loop peeled for vectorization to enhance alignment make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rimp2_denom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sum_pairs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xf3ci_s12a.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xf3ci_s12b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG eval_3ci.F make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/librimp2.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/librimp2.a rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/librimp2.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/librimp2.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/librimp2.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/rimp2' Making libraries in stepper make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_cheker.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_chkhess.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_clnstp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_cneed.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_cross.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_fndmde.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_formup.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_gmass.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_hesupd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_hmass.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_inihes.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_face.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_locate.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_matout.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_mgeom.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_mkstep.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_mktri.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_output.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_place.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_pmat.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_prntpd.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_projec.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_putbck.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_readsq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_save.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_setmass.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_stepcor.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_stepper.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_sumstc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_tprntd.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_uprcase.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_wlkchk.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_wrtsq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_walk.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O stpr_datestp.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG distang.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_gh_at.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_gen_aux.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_filenames.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stepper_inp.F stpr_partit.F:751:0: note: loop vectorized stpr_partit.F:751:0: note: loop versioned for vectorization because of possible aliasing stpr_partit.F:751:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:739:0: note: loop vectorized stpr_partit.F:739:0: note: loop versioned for vectorization because of possible aliasing stpr_partit.F:739:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:454:0: note: loop vectorized stpr_partit.F:454:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:436:0: note: loop vectorized stpr_partit.F:436:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:378:0: note: loop vectorized stpr_partit.F:378:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:372:0: note: loop vectorized stpr_partit.F:372:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:352:0: note: loop vectorized stpr_partit.F:352:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:335:0: note: loop vectorized stpr_partit.F:335:0: note: loop peeled for vectorization to enhance alignment stpr_partit.F:101:0: note: loop vectorized stpr_partit.F:101:0: note: loop versioned for vectorization because of possible aliasing make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stpr_partit.F make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libstepper.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libstepper.a stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libstepper.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libstepper.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libstepper.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/stepper' Making libraries in driver make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG opt_drv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG oniom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lbfgs.F lbfgs-b.F:533.49: + zero,nint,word,iback,stp,xstep,k, 1 Warning: Type mismatch in argument 'xstep' at (1); passed REAL(4) to REAL(8) lbfgs-b.F:760.22: + dtd,xstep,stpmx,iter,ifun,iback,nfgv,info,task, 1 Warning: Type mismatch in argument 'xstep' at (1); passed REAL(4) to REAL(8) lbfgs-b.F:815.54: + sbgnrm,nint,word,iword,iback,stp,xstep) 1 Warning: Type mismatch in argument 'xstep' at (1); passed REAL(4) to REAL(8) lbfgs-b.F:909.43: + time,nint,word,iback,stp,xstep,k, 1 Warning: Type mismatch in argument 'xstep' at (1); passed REAL(4) to REAL(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lbfgs-b.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lbfgs-b_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lbfgs_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lbfgs_utils.F driver_input.F:93:0: note: basic block vectorized driver_input.F:107:0: note: basic block vectorized driver_input.F:121:0: note: basic block vectorized make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG driver_input.F make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libdriver.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libdriver.a opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o driver_input.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libdriver.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libdriver.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libdriver.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/driver' Making libraries in optim make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim' Making all in deloc make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' deloc_utils.F:133:0: note: loop vectorized deloc_utils.F:133:0: note: loop peeled for vectorization to enhance alignment deloc_utils.F:133:0: note: loop vectorized deloc_utils.F:133:0: note: loop peeled for vectorization to enhance alignment make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG deloc_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG deloc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG deloc_utils.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a deloc_driver.o deloc.o deloc_utils.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/deloc' Making all in mepgs make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mepgs_drv.F make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mepgs_input.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a mepgs_drv.o mepgs_input.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/mepgs' Making all in tropt make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tropt_drv.F tropt_input.F:83:0: note: basic block vectorized tropt_input.F:97:0: note: basic block vectorized tropt_input.F:111:0: note: basic block vectorized make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tropt_input.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a tropt_drv.o tropt_input.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/tropt' Making all in neb make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' neb_input.F:362:0: note: basic block vectorized make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG neb_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG neb_drv.F neb_utils.F:1948:0: note: loop vectorized neb_utils.F:1948:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG neb_utils.F neb_utils.F:1050:0: note: loop vectorized neb_utils.F:1050:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1676:0: note: basic block vectorized neb_utils.F:1704:0: note: loop vectorized neb_utils.F:1704:0: note: loop versioned for vectorization because of possible aliasing neb_utils.F:1704:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1675:0: note: loop vectorized neb_utils.F:1675:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1665:0: note: loop vectorized neb_utils.F:1665:0: note: loop versioned for vectorization because of possible aliasing neb_utils.F:1665:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1647:0: note: loop vectorized neb_utils.F:1647:0: note: loop versioned for vectorization because of possible aliasing neb_utils.F:1647:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1613:0: note: loop vectorized neb_utils.F:1602:0: note: loop vectorized neb_utils.F:1602:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1446:0: note: loop vectorized neb_utils.F:1421:0: note: loop vectorized neb_utils.F:1326:0: note: loop vectorized neb_utils.F:1321:0: note: loop vectorized neb_utils.F:1050:0: note: loop vectorized neb_utils.F:1050:0: note: loop versioned for vectorization because of possible aliasing neb_utils.F:1050:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1006:0: note: loop vectorized neb_utils.F:1006:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1001:0: note: loop vectorized neb_utils.F:1001:0: note: loop versioned for vectorization because of possible aliasing neb_utils.F:1001:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1034:0: note: loop vectorized neb_utils.F:1034:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1029:0: note: loop vectorized neb_utils.F:1029:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1098:0: note: loop vectorized neb_utils.F:1098:0: note: loop peeled for vectorization to enhance alignment neb_utils.F:1086:0: note: loop vectorized neb_utils.F:1086:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bead_list.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/neb' Making all in string make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG string.F string.F:1763:0: note: loop vectorized string.F:1755:0: note: loop vectorized string.F:1407:0: note: loop vectorized string.F:944:0: note: loop vectorized string.F:944:0: note: loop peeled for vectorization to enhance alignment string.F:1486:0: note: loop vectorized string.F:1483:0: note: loop vectorized string.F:1457:0: note: loop vectorized string.F:1463:0: note: loop vectorized string.F:1463:0: note: loop peeled for vectorization to enhance alignment string.F:1468:0: note: loop vectorized string.F:1474:0: note: loop vectorized string.F:1479:0: note: loop vectorized string.F:982:0: note: loop vectorized string.F:1204:0: note: loop vectorized string.F:1953:0: note: loop vectorized string.F:1953:0: note: loop versioned for vectorization because of possible aliasing string.F:1953:0: note: loop peeled for vectorization to enhance alignment string.F:1950:0: note: loop vectorized string.F:1950:0: note: loop versioned for vectorization because of possible aliasing string.F:1950:0: note: loop peeled for vectorization to enhance alignment string.F:1851:0: note: loop vectorized string.F:1851:0: note: loop versioned for vectorization because of possible aliasing string.F:1851:0: note: loop peeled for vectorization to enhance alignment string.F:1848:0: note: loop vectorized string.F:1848:0: note: loop versioned for vectorization because of possible aliasing string.F:1848:0: note: loop peeled for vectorization to enhance alignment string.F:1826:0: note: loop vectorized string.F:1531:0: note: loop vectorized string.F:1531:0: note: loop versioned for vectorization because of possible aliasing string.F:1522:0: note: loop vectorized string.F:1522:0: note: loop versioned for vectorization because of possible aliasing string.F:1567:0: note: loop vectorized string.F:1567:0: note: loop versioned for vectorization because of possible aliasing string.F:1557:0: note: loop vectorized string.F:1557:0: note: loop versioned for vectorization because of possible aliasing string.F:1632:0: note: loop vectorized string.F:1632:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG string_input.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a string.o string_input.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/liboptim.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim/string' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/optim' Making libraries in cphf make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cphf' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cphf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cphf_poliz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cphf_solve.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cphf_solve2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cphf_solve3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cphf_solve4.F make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cphf' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libcphf.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libcphf.a cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libcphf.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libcphf.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libcphf.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cphf' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/cphf' Making libraries in ccsd make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccden_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccden_interm2.F ccsd_driver.F:452:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccden_1pdm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_sortmo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec geaxpy.f ccden_2pdma.F:240:0: note: loop vectorized ccden_2pdma.F:389:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccden_2pdma.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccden_2pdmb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_mktau_ga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccden_interm4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoccsd2.F aoccsd2.F:1143:0: note: loop vectorized aoccsd2.F:1143:0: note: loop peeled for vectorization to enhance alignment aoccsd2.F:1116:0: note: loop vectorized aoccsd2.F:1116:0: note: loop peeled for vectorization to enhance alignment aoccsd2.F:948:0: note: basic block vectorized ccsd_itm.F:704:0: note: loop vectorized ccsd_itm.F:704:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:677:0: note: loop vectorized ccsd_itm.F:677:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:593:0: note: loop vectorized ccsd_itm.F:593:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:502:0: note: loop vectorized ccsd_itm.F:502:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:361:0: note: loop vectorized ccsd_itm.F:361:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:315:0: note: loop vectorized ccsd_itm.F:315:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:266:0: note: loop vectorized ccsd_itm.F:266:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:245:0: note: loop vectorized ccsd_itm.F:245:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:236:0: note: loop vectorized ccsd_itm.F:236:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:210:0: note: loop vectorized ccsd_itm.F:210:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:202:0: note: loop vectorized ccsd_itm.F:202:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:178:0: note: loop vectorized ccsd_itm.F:178:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:160:0: note: loop vectorized ccsd_itm.F:160:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:115:0: note: loop vectorized ccsd_itm.F:115:0: note: loop peeled for vectorization to enhance alignment ccsd_itm.F:84:0: note: loop vectorized ccsd_itm.F:84:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_itm.F ccsd_t2pm.F:68:0: note: loop vectorized ccsd_t2pm.F:68:0: note: loop peeled for vectorization to enhance alignment ccsd_t2pm.F:252:0: note: loop vectorized ccsd_t2pm.F:252:0: note: loop versioned for vectorization because of possible aliasing ccsd_t2pm.F:252:0: note: loop peeled for vectorization to enhance alignment ccsd_t2pm.F:200:0: note: loop vectorized ccsd_t2pm.F:200:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_t2pm.F ccsd_pampt2.F:306:0: note: loop vectorized ccsd_pampt2.F:306:0: note: loop peeled for vectorization to enhance alignment ccsd_pampt2.F:300:0: note: loop vectorized ccsd_pampt2.F:300:0: note: loop peeled for vectorization to enhance alignment ccsd_pampt2.F:271:0: note: loop vectorized ccsd_pampt2.F:271:0: note: loop peeled for vectorization to enhance alignment ccsd_pampt2.F:231:0: note: loop vectorized ccsd_pampt2.F:231:0: note: loop peeled for vectorization to enhance alignment ccsd_pampt2.F:197:0: note: loop vectorized ccsd_pampt2.F:197:0: note: loop peeled for vectorization to enhance alignment ccsd_pampt2.F:104:0: note: loop vectorized ccsd_pampt2.F:104:0: note: loop peeled for vectorization to enhance alignment ccsd_pampt2.F:79:0: note: loop vectorized ccsd_pampt2.F:79:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_pampt2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_pampt3.F ccsd_pampt3.F:442:0: note: loop vectorized ccsd_pampt3.F:442:0: note: loop peeled for vectorization to enhance alignment ccsd_pampt3.F:424:0: note: loop vectorized ccsd_pampt3.F:424:0: note: loop peeled for vectorization to enhance alignment ccsd_tengy_bgp.F:33:0: note: loop vectorized ccsd_tengy_bgp.F:33:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_tengy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_tengy_bgp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_trpdrv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_trpdrv_nb.F ccsd_trpdrv_omp.F:286:0: note: loop vectorized ccsd_trpdrv_omp.F:286:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_trpdrv_omp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG moints_trp.F moints_trp.F:711:0: note: loop vectorized moints_trp.F:679:0: note: loop vectorized moints_trp.F:679:0: note: loop peeled for vectorization to enhance alignment moints_trp.F:574:0: note: loop vectorized moints_trp.F:574:0: note: loop peeled for vectorization to enhance alignment moints_trp.F:526:0: note: loop vectorized moints_trp.F:526:0: note: loop peeled for vectorization to enhance alignment moints_trp.F:160:0: note: loop vectorized moints_trp.F:160:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd.F ccsd_aux.F:9:0: note: loop vectorized ccsd_aux.F:9:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_aux.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_fsig1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_fsig2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_get_param.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_iterdrv2.F ccsd_pdiis.F:106:0: note: loop vectorized ccsd_pdiis.F:106:0: note: loop peeled for vectorization to enhance alignment ccsd_pdiis.F:68:0: note: loop vectorized ccsd_pdiis.F:68:0: note: loop peeled for vectorization to enhance alignment ccsd_pdiis.F:55:0: note: loop vectorized ccsd_pdiis.F:55:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_mktask.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_mkt2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_pdiis.F ccsd_rdtrpo.F:105:0: note: loop vectorized ccsd_rdtrpo.F:105:0: note: loop peeled for vectorization to enhance alignment ccsd_rdtrpo.F:82:0: note: loop vectorized ccsd_rdtrpo.F:82:0: note: loop peeled for vectorization to enhance alignment ccsd_rdtrpo.F:72:0: note: loop vectorized ccsd_rdtrpo.F:72:0: note: loop peeled for vectorization to enhance alignment ccsd_rdtrpo.F:60:0: note: loop vectorized ccsd_rdtrpo.F:60:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_trpmo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_rdtrpo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG qstat.F qstat.F:153:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cputime.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rddcom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_graddrv.F ccsd_zvecs.F:191:0: note: loop vectorized ccsd_zvecs.F:191:0: note: loop peeled for vectorization to enhance alignment ccsd_zvecs.F:168:0: note: loop vectorized ccsd_zvecs.F:168:0: note: loop peeled for vectorization to enhance alignment ccsd_zvecs.F:90:0: note: loop vectorized ccsd_zvecs.F:90:0: note: loop peeled for vectorization to enhance alignment ccsd_zvecs.F:66:0: note: loop vectorized ccsd_zvecs.F:66:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_zvecs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_pzamp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_zsig1.F ccsd_zsig1.F:395:0: note: loop vectorized ccsd_zsig1.F:395:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:374:0: note: loop vectorized ccsd_zsig1.F:374:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:335:0: note: loop vectorized ccsd_zsig1.F:335:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:299:0: note: loop vectorized ccsd_zsig1.F:299:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:293:0: note: loop vectorized ccsd_zsig1.F:293:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:211:0: note: loop vectorized ccsd_zsig1.F:211:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:178:0: note: loop vectorized ccsd_zsig1.F:178:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:139:0: note: loop vectorized ccsd_zsig1.F:139:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:126:0: note: loop vectorized ccsd_zsig1.F:126:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:111:0: note: loop vectorized ccsd_zsig1.F:111:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:98:0: note: loop vectorized ccsd_zsig1.F:98:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig1.F:53:0: note: loop vectorized ccsd_zsig1.F:53:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:385:0: note: loop vectorized ccsd_zsig2.F:385:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:333:0: note: loop vectorized ccsd_zsig2.F:333:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:326:0: note: loop vectorized ccsd_zsig2.F:326:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:303:0: note: loop vectorized ccsd_zsig2.F:303:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:236:0: note: loop vectorized ccsd_zsig2.F:236:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:217:0: note: loop vectorized ccsd_zsig2.F:125:0: note: loop vectorized ccsd_zsig2.F:125:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:101:0: note: loop vectorized ccsd_zsig2.F:101:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:76:0: note: loop vectorized ccsd_zsig2.F:76:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:72:0: note: loop vectorized ccsd_zsig2.F:72:0: note: loop peeled for vectorization to enhance alignment ccsd_zsig2.F:52:0: note: loop vectorized ccsd_zsig2.F:52:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_zsig2.F ccsd_z2pm.F:99:0: note: loop vectorized ccsd_z2pm.F:99:0: note: loop versioned for vectorization because of possible aliasing ccsd_z2pm.F:99:0: note: loop peeled for vectorization to enhance alignment ccsd_z2pm.F:270:0: note: loop vectorized ccsd_z2pm.F:270:0: note: loop peeled for vectorization to enhance alignment ccsd_z2pm.F:200:0: note: loop vectorized ccsd_z2pm.F:200:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_z2pm.F ccsd_tzinta.F:59:0: note: loop vectorized ccsd_tzinta.F:59:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:230:0: note: loop vectorized ccsd_tzintb.F:230:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:194:0: note: loop vectorized ccsd_tzintb.F:194:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:136:0: note: loop vectorized ccsd_tzintb.F:136:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:128:0: note: loop vectorized ccsd_tzintb.F:128:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:101:0: note: loop vectorized ccsd_tzintb.F:101:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:93:0: note: loop vectorized ccsd_tzintb.F:93:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:84:0: note: loop vectorized ccsd_tzintb.F:84:0: note: loop peeled for vectorization to enhance alignment ccsd_tzintb.F:40:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_tzinta.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_tzintb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_pstat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ccsd_aosig.F ccsd_aosig.F:139:0: note: loop vectorized ccsd_aosig.F:120:0: note: loop vectorized ccsd_aosig.F:120:0: note: loop peeled for vectorization to enhance alignment ccsd_aosig.F:101:0: note: loop vectorized ccsd_aosig.F:72:0: note: loop vectorized ccsd_aosig.F:52:0: note: loop vectorized make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libccsd.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libccsd.a ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_tengy.o ccsd_tengy_bgp.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o moints_trp.o ccsd.o ccsd_aux.o ccsd_fsig1.o ccsd_fsig2.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o ccsd_aosig.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libccsd.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libccsd.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libccsd.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/ccsd' Making libraries in vib make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_bcalc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_bdiha5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_bend.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_bstr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_cebdab.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_chkhess.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_clean.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_cross.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_dsquar.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_dtrngl.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_eckart.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_gtors.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_hmass.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_libe.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_nmass.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_prdata.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_prntpd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_rdinp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_setup.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_tors.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_transp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_vib.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_wmatrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_wrtfreq.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_zmatin.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_intense.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_istep.F vib_phonon.F:146.26: > dcpl_mb(work(1)),dbl_mb(w2(1)), 1 Warning: Type mismatch in argument 'w1' at (1); passed COMPLEX(8) to REAL(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_thermo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_phonon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_zone_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_input.F vib_callg.F:235:0: note: loop vectorized vib_callg.F:235:0: note: loop versioned for vectorization because of possible aliasing vib_callg.F:235:0: note: loop peeled for vectorization to enhance alignment vib_callg.F:202:0: note: loop vectorized vib_callg.F:202:0: note: loop peeled for vectorization to enhance alignment vib_callg.F:185:0: note: loop vectorized vib_callg.F:185:0: note: loop versioned for vectorization because of possible aliasing vib_callg.F:185:0: note: loop peeled for vectorization to enhance alignment vib_callg.F:156:0: note: loop vectorized vib_callg.F:156:0: note: loop versioned for vectorization because of possible aliasing vib_callg.F:156:0: note: loop peeled for vectorization to enhance alignment vib_callg.F:97:0: note: loop vectorized vib_callg.F:97:0: note: loop peeled for vectorization to enhance alignment vib_callg.F:82:0: note: loop vectorized vib_callg.F:82:0: note: loop peeled for vectorization to enhance alignment make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG vib_callg.F make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libvib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libvib.a vib_bcalc.o vib_bdiha5.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libvib.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libvib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libvib.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/vib' Making libraries in hessian make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_blas.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_input.F Making all in analytic make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_anal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_energyinit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_check.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nucdd_cont.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nucdd_calc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG oned_calc.F onedd_calc.F:254:0: note: loop vectorized onedd_calc.F:254:0: note: loop peeled for vectorization to enhance alignment onedd_calc.F:217:0: note: loop vectorized onedd_calc.F:217:0: note: loop peeled for vectorization to enhance alignment onedd_calc.F:181:0: note: loop vectorized onedd_calc.F:181:0: note: loop peeled for vectorization to enhance alignment onedd_calc.F:155:0: note: loop vectorized onedd_calc.F:155:0: note: loop peeled for vectorization to enhance alignment onedd_calc.F:122:0: note: loop vectorized onedd_calc.F:122:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG onedd_cont.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_wdens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG onedd_calc.F hess_dipder.F:458:0: note: loop vectorized hess_dipder.F:458:0: note: loop peeled for vectorization to enhance alignment twodd_cont.F:210:0: note: loop vectorized twodd_cont.F:210:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_dipder.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG twodd_cont.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG twodd_coul_ex.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shell_fock_build.F shell_fock_build.F:880:0: note: loop vectorized shell_fock_build.F:880:0: note: loop peeled for vectorization to enhance alignment shell_fock_build.F:803:0: note: loop vectorized shell_fock_build.F:803:0: note: loop peeled for vectorization to enhance alignment shell_fock_build.F:238:0: note: loop vectorized shell_fock_build.F:238:0: note: loop peeled for vectorization to enhance alignment shell_fock_build.F:86:0: note: loop vectorized shell_fock_build.F:86:0: note: loop peeled for vectorization to enhance alignment shell_fock_build_cam.F:214:0: note: loop vectorized shell_fock_build_cam.F:214:0: note: loop peeled for vectorization to enhance alignment shell_fock_build_cam.F:188:0: note: loop vectorized shell_fock_build_cam.F:188:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shell_fock_build_cam.F shell_fock_build_cam.F:485:0: note: loop vectorized shell_fock_build_cam.F:485:0: note: loop peeled for vectorization to enhance alignment shell_fock_build_cam.F:459:0: note: loop vectorized shell_fock_build_cam.F:459:0: note: loop peeled for vectorization to enhance alignment hess_cphf.F:1119:0: note: loop vectorized hess_cphf.F:1119:0: note: loop versioned for vectorization because of possible aliasing hess_cphf.F:1119:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_cphf.F hess_sxsy.F:99:0: note: loop vectorized hess_sxsy.F:99:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_pxfy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_sxsy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sx_dra.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_wrt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_restart.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_hssout.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_print.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hess_tidy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf_fock_setup.F uhf_fock_finish.F:113:0: note: loop vectorized uhf_fock_finish.F:113:0: note: loop versioned for vectorization because of possible aliasing uhf_fock_finish.F:113:0: note: loop peeled for vectorization to enhance alignment shell_fock_build_ext.F:216:0: note: loop vectorized shell_fock_build_ext.F:216:0: note: loop peeled for vectorization to enhance alignment shell_fock_build_ext.F:63:0: note: loop vectorized shell_fock_build_ext.F:63:0: note: loop peeled for vectorization to enhance alignment shell_fock_build_ext.F:355:0: note: basic block vectorized shell_fock_build_ext.F:360:0: note: basic block vectorized shell_fock_build_ext.F:366:0: note: basic block vectorized shell_fock_build_ext.F:371:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG uhf_fock_finish.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG print_dens_bit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shell_fock_build_ext.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' Making all in dft xc_d2expl.F:604:0: note: loop vectorized xc_d2expl.F:604:0: note: loop versioned for vectorization because of possible aliasing xc_d2expl.F:604:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:591:0: note: loop vectorized xc_d2expl.F:591:0: note: loop versioned for vectorization because of possible aliasing xc_d2expl.F:591:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:565:0: note: loop vectorized xc_d2expl.F:565:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:492:0: note: loop vectorized xc_d2expl.F:492:0: note: loop versioned for vectorization because of possible aliasing xc_d2expl.F:492:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:500:0: note: loop vectorized xc_d2expl.F:500:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:409:0: note: loop vectorized xc_d2expl.F:409:0: note: loop versioned for vectorization because of possible aliasing xc_d2expl.F:409:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:417:0: note: loop vectorized xc_d2expl.F:417:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:235:0: note: loop vectorized xc_d2expl.F:235:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:258:0: note: loop vectorized xc_d2expl.F:258:0: note: loop peeled for vectorization to enhance alignment xc_d2expl.F:401:0: note: basic block vectorized xc_d2expl.F:484:0: note: basic block vectorized make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../../nwdft/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_d2expl.F xc_cpks_coeff.F:98:0: note: loop vectorized xc_cpks_coeff.F:98:0: note: loop versioned for vectorization because of possible aliasing xc_cpks_coeff.F:98:0: note: loop peeled for vectorization to enhance alignment xc_cpks_coeff.F:225:0: note: loop vectorized xc_cpks_coeff.F:225:0: note: loop peeled for vectorization to enhance alignment xc_cpks_coeff.F:280:0: note: loop vectorized xc_cpks_coeff.F:280:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../../nwdft/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_cpks_coeff.F xc_nucder_gen.F:26.43: , g_dens, nactive, oactive, hess, 0, 2) 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-3 and scalar) xc_nucder_gen.F:53.38: , g_dens, nactive, oactive, 0d0, g_rhs, 3) 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../../nwdft/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_exit_index.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../../nwdft/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_init_index.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../../nwdft/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xc_nucder_gen.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../../nwdft/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dft_3dacc.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libhessian.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libhessian.a xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libhessian.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libhessian.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libhessian.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic/dft' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libhessian.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libhessian.a hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libhessian.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libhessian.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian/analytic' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libhessian.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libhessian.a hess_blas.o hess_input.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libhessian.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libhessian.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/hessian' Making libraries in mp2_grad make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_grad.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_grad_doit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_cphf_rhs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_tot_dens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_tot_wdens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_dip_mom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_pstat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_piy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_nos.F make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_back_transform.F mp2_back_transform.F:88.41: $ nbfpair, nbfpairlocal, shmax, junk, junk, junk, junk, junk) 1 Warning: Rank mismatch in argument 'shdim' at (1) (rank-1 and scalar) mp2_back_transform.F:1016:0: note: loop vectorized mp2_back_transform.F:1016:0: note: loop peeled for vectorization to enhance alignment mp2_back_transform.F:1016:0: note: loop vectorized mp2_back_transform.F:1016:0: note: loop peeled for vectorization to enhance alignment mp2_back_transform.F:1016:0: note: loop vectorized mp2_back_transform.F:1016:0: note: loop peeled for vectorization to enhance alignment mp2_back_transform.F:445:0: note: loop vectorized mp2_back_transform.F:445:0: note: loop peeled for vectorization to enhance alignment mp2_back_transform.F:223:0: note: loop vectorized mp2_back_transform.F:223:0: note: loop versioned for vectorization because of possible aliasing mp2_back_transform.F:223:0: note: loop peeled for vectorization to enhance alignment mp2_wijab_uhf.F:146:0: note: loop vectorized mp2_wijab_uhf.F:146:0: note: loop peeled for vectorization to enhance alignment mp2_wijab_uhf.F:127:0: note: loop vectorized mp2_wijab_uhf.F:127:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_read_tiajb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_pijab_uhf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_wijab_uhf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_lai_uhf.F mp2_make_tuhf.F:233:0: note: loop vectorized mp2_make_tuhf.F:233:0: note: loop peeled for vectorization to enhance alignment mp2_make_tuhf.F:199:0: note: loop vectorized mp2_make_tuhf.F:199:0: note: loop peeled for vectorization to enhance alignment mp2_make_tuhf.F:104:0: note: loop vectorized mp2_make_tuhf.F:104:0: note: loop peeled for vectorization to enhance alignment mp2_make_tuhf.F:93:0: note: loop vectorized mp2_make_tuhf.F:93:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_lai_fock_uhf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_memory.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DDEBUG_PRINT mp2_make_tuhf.F make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libmp2.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libmp2.a mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libmp2.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libmp2.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libmp2.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/mp2_grad' Making libraries in property make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' hnd_efgmap.F: In function 'hnd_efgmap': hnd_efgmap.F:39:0: warning: 'i_cbq' may be used uninitialized in this function [-Wmaybe-uninitialized] integer i_cbq ^ hnd_efgmap_z4.F:24:0: warning: extra tokens at end of #include directive #include "msgids.fh" ! Added by FA - for NLMO analysis ^ hnd_efgmap_z4.F:25:0: warning: extra tokens at end of #include directive #include "zora.fh" ! Added by FA ^ hnd_efgmap_z4.F:926:0: warning: extra tokens at end of #include directive #include "msgids.fh" ! Added by FA - for tag msg_efgs_col ^ make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_efgmap.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_efgmap_z4.F hnd_efgmap_z4.F:1010:0: note: loop vectorized hnd_efgmap_z4.F:1010:0: note: loop peeled for vectorization to enhance alignment hnd_efgmap_z4.F:1062:0: note: loop vectorized hnd_efgmap_z4.F:1062:0: note: loop peeled for vectorization to enhance alignment hnd_efgmap_z4.F:1062:0: note: loop vectorized hnd_efgmap_z4.F:1062:0: note: loop peeled for vectorization to enhance alignment hnd_efgmap_z4.F:253:0: note: basic block vectorized hnd_efgmap_z4.F: In function 'hnd_efgmap_z4': hnd_efgmap_z4.F:50:0: warning: 'i_cbq' may be used uninitialized in this function [-Wmaybe-uninitialized] integer bq_ncent,i_cbq,i_qbq ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_elfmap.F hnd_elpmap.F: In function 'hnd_elpmap': hnd_elpmap.F:39:0: warning: 'i_qbq' may be used uninitialized in this function [-Wmaybe-uninitialized] integer i_qbq ^ hnd_elpmap.F:38:0: warning: 'i_cbq' may be used uninitialized in this function [-Wmaybe-uninitialized] integer i_cbq ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_elpmap.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_eldmap.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_spind.F hnd_elfcon.F:202:0: note: loop vectorized hnd_elfcon.F:202:0: note: loop peeled for vectorization to enhance alignment hnd_elfcon.F:202:0: note: loop vectorized hnd_elfcon.F:202:0: note: loop peeled for vectorization to enhance alignment hnd_elfcon_symm.F:35:0: warning: extra tokens at end of #include directive #include "zora.fh" ! for lbl_nlmo ^ hnd_elfcon_symm.F:221:0: note: loop vectorized hnd_elfcon_symm.F:221:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_elfcon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_elfcon_symm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_mtpcon.F hnd_mtpcon.F:128:0: note: loop vectorized hnd_mtpcon.F:128:0: note: loop vectorized hnd_mtpole.F:178:0: note: loop vectorized hnd_mtpole.F:139:0: note: loop vectorized hnd_mtpole.F:139:0: note: loop peeled for vectorization to enhance alignment hnd_mtpole.F:106:0: note: loop vectorized hnd_mtpole.F:106:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_mtpole.F hnd_mtpole.F:660:0: note: loop vectorized hnd_mtpole.F:660:0: note: loop peeled for vectorization to enhance alignment hnd_mtpole.F:635:0: note: loop vectorized hnd_mtpole.F:635:0: note: loop peeled for vectorization to enhance alignment prop_input.F:193:0: note: loop vectorized prop_input.F:193:0: note: loop versioned for vectorization because of possible aliasing prop_input.F:193:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prop_input.F hnd_mulken.F:403:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_mulken.F wnbofile.F:824:0: note: loop vectorized wnbofile.F:824:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:824:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:797:0: note: loop vectorized wnbofile.F:797:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:797:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:681:0: note: loop vectorized wnbofile.F:681:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:681:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:648:0: note: loop vectorized wnbofile.F:648:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:648:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:530:0: note: loop vectorized wnbofile.F:530:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:530:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:522:0: note: loop vectorized wnbofile.F:522:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:522:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:514:0: note: loop vectorized wnbofile.F:514:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:514:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:506:0: note: loop vectorized wnbofile.F:506:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:506:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:498:0: note: loop vectorized wnbofile.F:498:0: note: loop versioned for vectorization because of possible aliasing wnbofile.F:498:0: note: loop peeled for vectorization to enhance alignment wnbofile.F:312:0: note: basic block vectorized wnbofile.F: In function 'wnbofile': wnbofile.F:61:0: warning: 'maxl' may be used uninitialized in this function [-Wmaybe-uninitialized] integer atn, charge, maxL, nat, nbf, ncont, ngeno, nmo, ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wnbofile.F wefgfile.F:49:0: warning: extra tokens at end of #include directive #include "zora.fh" ! FA-04-24-10 ^ wefgfile.F:329:0: note: loop vectorized wefgfile.F:329:0: note: loop versioned for vectorization because of possible aliasing wefgfile.F:329:0: note: loop peeled for vectorization to enhance alignment whypfile.F:58:0: warning: extra tokens at end of #include directive #include "zora.fh" ! FA-04-24-10 ^ whypfile.F:352:0: note: loop vectorized whypfile.F:352:0: note: loop versioned for vectorization because of possible aliasing whypfile.F:352:0: note: loop peeled for vectorization to enhance alignment whypfile.F:342:0: note: loop vectorized whypfile.F:342:0: note: loop versioned for vectorization because of possible aliasing whypfile.F:342:0: note: loop peeled for vectorization to enhance alignment whypfile.F:323:0: note: loop vectorized whypfile.F:323:0: note: loop versioned for vectorization because of possible aliasing whypfile.F:323:0: note: loop peeled for vectorization to enhance alignment whypfile.F: In function 'whypfile': whypfile.F:302:0: warning: 'lfn' may be used uninitialized in this function [-Wmaybe-uninitialized] open (lfn, file=fname_hyp, status='unknown') ^ whypfile.F:82:0: note: 'lfn' was declared here integer lfn ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wefgfile.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG whypfile.F wgshiftfile.F:58:0: warning: extra tokens at end of #include directive #include "zora.fh" ! FA-04-24-10 ^ wgshiftfile.F:380:0: note: loop vectorized wgshiftfile.F:380:0: note: loop versioned for vectorization because of possible aliasing wgshiftfile.F:380:0: note: loop peeled for vectorization to enhance alignment wgshiftfile.F:370:0: note: loop vectorized wgshiftfile.F:370:0: note: loop versioned for vectorization because of possible aliasing wgshiftfile.F:370:0: note: loop peeled for vectorization to enhance alignment wgshiftfile.F:353:0: note: loop vectorized wgshiftfile.F:353:0: note: loop versioned for vectorization because of possible aliasing wgshiftfile.F:353:0: note: loop peeled for vectorization to enhance alignment wgshiftfile.F:339:0: note: loop vectorized wgshiftfile.F:339:0: note: loop versioned for vectorization because of possible aliasing wgshiftfile.F:339:0: note: loop peeled for vectorization to enhance alignment wgshiftfile.F: In function 'wgshiftfile': wgshiftfile.F:316:0: warning: 'lfn' may be used uninitialized in this function [-Wmaybe-uninitialized] open (lfn, file=fname_gshift, status='unknown') ^ wgshiftfile.F:85:0: note: 'lfn' was declared here integer lfn ^ wshldfile.F:51:0: warning: extra tokens at end of #include directive #include "zora.fh" ! FA-04-24-10 ^ wshldfile.F:360:0: note: loop vectorized wshldfile.F:360:0: note: loop versioned for vectorization because of possible aliasing wshldfile.F:360:0: note: loop peeled for vectorization to enhance alignment wshldfile.F:350:0: note: loop vectorized wshldfile.F:350:0: note: loop versioned for vectorization because of possible aliasing wshldfile.F:350:0: note: loop peeled for vectorization to enhance alignment wshldfile.F:333:0: note: loop vectorized wshldfile.F:333:0: note: loop versioned for vectorization because of possible aliasing wshldfile.F:333:0: note: loop peeled for vectorization to enhance alignment wshldfile.F:319:0: note: loop vectorized wshldfile.F:319:0: note: loop versioned for vectorization because of possible aliasing wshldfile.F:319:0: note: loop peeled for vectorization to enhance alignment wshldfile.F: In function 'wshldfile': wshldfile.F:296:0: warning: 'lfn' may be used uninitialized in this function [-Wmaybe-uninitialized] open (lfn, file=fname_shield, status='unknown') ^ wshldfile.F:73:0: note: 'lfn' was declared here integer lfn ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wgshiftfile.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wshldfile.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_prp_get_dens.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_prp_vec_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_prop_dens_make.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_property.F giaofock.F: In function 'giaofock': giaofock.F:917:0: warning: 'g_dens0' may be used uninitialized in this function [-Wmaybe-uninitialized] g_dens=g_dens0 ^ giaofock.F: In function 'new_giao_2e': giaofock.F:23:0: warning: 'ntot' may be used uninitialized in this function [-Wmaybe-uninitialized] integer npol,ntot ^ giaofock.F:151:0: warning: 'factor_cam' may be used uninitialized in this function [-Wmaybe-uninitialized] cam_beta1 =factor_cam*cam_beta ^ giaofock.F:42:0: note: 'factor_cam' was declared here double precision factor_cam,cam_alpha1,cam_beta1 ^ giaofock.F: In function 'new_giao_2e_jk': giaofock.F:366:0: warning: 'ntot' may be used uninitialized in this function [-Wmaybe-uninitialized] integer npol,ntot ^ giaofock.F:503:0: warning: 'factor_cam' may be used uninitialized in this function [-Wmaybe-uninitialized] cam_beta1 =factor_cam*cam_beta ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG giaofock.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_giaox.F hnd_giaox.F:788:0: note: loop vectorized hnd_giaox.F:788:0: note: loop versioned for vectorization because of possible aliasing hnd_giaox.F:788:0: note: loop peeled for vectorization to enhance alignment hnd_giaox.F:103:0: note: loop vectorized hnd_giaox.F:103:0: note: loop peeled for vectorization to enhance alignment hnd_hyperfine_zora.F:764:0: warning: extra tokens at end of #include directive #include "zora.fh" ! for num NMRCS-Z4 ^ hnd_hyperfine_zora.F:849:0: warning: extra tokens at end of #include directive #include "zora.fh" ! for hyperfine ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_hyperfine_zora.F hnd_hyperfine_zora.F:514:0: note: loop vectorized hnd_hyperfine_zora.F:514:0: note: loop versioned for vectorization because of possible aliasing hnd_hyperfine_zora.F:514:0: note: loop peeled for vectorization to enhance alignment hnd_hyperfine_zora.F:496:0: note: loop vectorized hnd_hyperfine_zora.F:496:0: note: loop versioned for vectorization because of possible aliasing hnd_hyperfine_zora.F:496:0: note: loop peeled for vectorization to enhance alignment hnd_hyperfine_zora.F:295:0: note: loop vectorized hnd_hyperfine_zora.F:243:0: note: loop vectorized hnd_hyperfine_zora.F:200:0: note: loop vectorized hnd_hyperfine_zora.F:200:0: note: loop peeled for vectorization to enhance alignment hnd_hyperfine_zora.F:183:0: note: basic block vectorized hnd_hyperfine_zora.F: In function 'hnd_hyperfine_zora': hnd_hyperfine_zora.F:577:0: warning: 'conv2mhz' may be used uninitialized in this function [-Wmaybe-uninitialized] & (eig(ix)*conv2MHz,ix=1,3) ^ hnd_hyperfine_zora.F:37:0: note: 'conv2mhz' was declared here double precision a(6),axs(3,3),eig(3),conv2MHz ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_gshift_zora.F hnd_gshift_zora.F: In function 'get_gshift_tensor_aorb': hnd_gshift_zora.F:5202:0: warning: 'val_ov_nojk' may be used uninitialized in this function [-Wmaybe-uninitialized] par_arr(7,iy,ix)=val_ov_noJK*coeffpol*ppt*(-0.25d0) ^ hnd_gshift_zora.F:5201:0: warning: 'val_ov_exch' may be used uninitialized in this function [-Wmaybe-uninitialized] par_arr(6,iy,ix)=val_ov_Exch*coeffpol*ppt*(-0.25d0) ^ hnd_gshift_zora.F:5204:0: warning: 'val_ov_esji' may be used uninitialized in this function [-Wmaybe-uninitialized] par_arr(9,iy,ix)=val_ov_eSji*coeffpol*ppt*(-0.25d0) ^ hnd_gshift_zora.F:5200:0: warning: 'val_ov_coul' may be used uninitialized in this function [-Wmaybe-uninitialized] par_arr(5,iy,ix)=val_ov_Coul*coeffpol*ppt*(-0.25d0) ^ hnd_gshift_zora.F:5203:0: warning: 'val_ov_1e' may be used uninitialized in this function [-Wmaybe-uninitialized] par_arr(8,iy,ix)=val_ov_1e*coeffpol*ppt*(-0.25d0) ^ hnd_gshift_zora.F: In function 'add_h10': hnd_gshift_zora.F:2125:0: warning: 'k_xyz' may be used uninitialized in this function [-Wmaybe-uninitialized] & natoms,oskel) ^ hnd_gshift_zora.F: In function 'add_h10_debug': hnd_gshift_zora.F:4939:0: warning: 'k_xyz' may be used uninitialized in this function [-Wmaybe-uninitialized] & natoms,oskel) ^ hnd_gshift_zora.F:1482:0: note: loop vectorized hnd_gshift_zora.F:1482:0: note: loop peeled for vectorization to enhance alignment hnd_gshift_zora.F:4434:0: note: loop vectorized hnd_gshift_zora.F:4434:0: note: loop peeled for vectorization to enhance alignment hnd_gshift_zora.F:1087:0: note: loop vectorized hnd_gshift_zora.F:1087:0: note: loop versioned for vectorization because of possible aliasing hnd_gshift_zora.F:1087:0: note: loop peeled for vectorization to enhance alignment hnd_gshift_zora.F:280:0: note: loop vectorized hnd_gshift_zora.F:239:0: note: loop vectorized hnd_gshift_zora.F:239:0: note: loop peeled for vectorization to enhance alignment hnd_gshift_zora.F:157:0: note: loop vectorized hnd_gshift_zora.F:157:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_giaox_zora.F hnd_giaox_zora.F:1017:0: note: loop vectorized hnd_giaox_zora.F:1017:0: note: loop versioned for vectorization because of possible aliasing hnd_giaox_zora.F:1017:0: note: loop peeled for vectorization to enhance alignment hnd_giaox_zora.F:270:0: note: loop vectorized hnd_giaox_zora.F:396:0: note: basic block vectorized int_giao_1ega.F: In function 'int_giao_1ega': int_giao_1ega.F:203:0: warning: 'k_qextbq' may be used uninitialized in this function [-Wmaybe-uninitialized] call ycopy(nextbq,dbl_mb(k_qextbq),1,dbl_mb(k_qbq),1) ^ int_giao_1ega.F:57:0: note: 'k_qextbq' was declared here integer k_qextbq,k_cextbq ^ int_giao_1ega.F:204:0: warning: 'k_cextbq' may be used uninitialized in this function [-Wmaybe-uninitialized] call ycopy(3*nextbq,dbl_mb(k_cextbq),1,dbl_mb(k_cbq),1) ^ int_giao_1ega.F:57:0: note: 'k_cextbq' was declared here integer k_qextbq,k_cextbq ^ int_giao_1ega.F:148:0: warning: 'nblocks' may be used uninitialized in this function [-Wmaybe-uninitialized] max1e = max1e*nblocks ^ int_giao_1ega.F:45:0: note: 'nblocks' was declared here integer nblocks ^ hnd_diag.F:29:0: note: loop vectorized hnd_diag.F:29:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_giao_1ega.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG giao_aotomo.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_diag.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_spinspin.F hnd_spinspin.F:277:0: note: loop vectorized hnd_spinspin.F:277:0: note: loop versioned for vectorization because of possible aliasing hnd_spinspin.F:277:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_sdfc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_psoten.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_dsoten.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prop_atom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoresponse_driver.F aoresponse_driver_new.F:962:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoresponse_driver_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG int_mpole_1ega.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoresponse.F aoresponse.F:1142:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoresponse_beta.F aoresponse_beta.F:1341:0: note: loop vectorized aoresponse_beta.F:1341:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aor_write_roadata.F aoresponse_beta2.F:925:0: note: loop vectorized aoresponse_beta2.F:925:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoresponse_beta2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fiao_f1_movecs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aor_r1_tensor.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aor_r1_beta.F aor_r1_beta.F:570:0: note: loop vectorized aor_r1_beta.F:558:0: note: loop vectorized aor_r1_beta.F:546:0: note: loop vectorized aor_r1_beta.F:535:0: note: loop vectorized aor_r1_beta.F:502:0: note: loop vectorized aor_r1_beta.F:501:0: note: loop vectorized aor_r1_beta.F:550:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aor_r1_beta_anl.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG giao_b1_movecs.F giao_b1_movecs.F:114:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fiao_b1_movecs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_vecB1.F get_vecF1.F:327:0: note: loop vectorized get_vecF1.F:327:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_vecF1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_allAOints.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aoresponse_giao_rhs.F get_alfaorbeta_reim.F: In function 'get_c1mctrace': get_alfaorbeta_reim.F:367:0: warning: 'ind2' may be used uninitialized in this function [-Wmaybe-uninitialized] bhi(3) = ind2 ^ get_alfaorbeta_reim.F:361:0: warning: 'ind1' may be used uninitialized in this function [-Wmaybe-uninitialized] ahi(3) = ind1 ^ get_alfaorbeta_reim.F: In function 'get_c1mc': get_alfaorbeta_reim.F:202:0: warning: 'ind2' may be used uninitialized in this function [-Wmaybe-uninitialized] bhi(3) = ind2 ^ get_alfaorbeta_reim.F:196:0: warning: 'ind1' may be used uninitialized in this function [-Wmaybe-uninitialized] ahi(3) = ind1 ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_alfaorbeta_reim.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG CalcPerturbedTDPmat1.F localization_driver.F:204:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG CalcPerturbedTDPmat1_opt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG localization_driver.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_vec_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ao_1prdm_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ao_1prdm_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG giao_b1_movecs_tools.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aor_r1_beta_anl_tools.F task_raman.F:495.19: & lbl_raman, ! in: raman label 1 Warning: Character length of actual argument shorter than of dummy argument 'lbl_raman' (5/255) at (1) task_raman.F:519.19: & lbl_raman, ! in: raman label 1 Warning: Character length of actual argument shorter than of dummy argument 'lbl_raman' (5/255) at (1) task_raman.F:541.19: & lbl_raman, ! in: raman label 1 Warning: Character length of actual argument shorter than of dummy argument 'lbl_raman' (5/255) at (1) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_raman.F raman.F:187:0: note: loop vectorized raman.F:162:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG raman_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG raman.F raman.F: In function 'raman_scattering': raman.F:495:0: warning: 'factor' may be used uninitialized in this function [-Wmaybe-uninitialized] conv_imag = conv_imag + factor*crs_imag(j) ^ raman.F:490:0: warning: 'bfac' may be used uninitialized in this function [-Wmaybe-uninitialized] factor = scale*afac*exp(-bfac* (frq-rminfo(j,1))**2) ^ raman.F:488:0: warning: 'afac' may be used uninitialized in this function [-Wmaybe-uninitialized] factor = scale*afac/((frq-rminfo(j,1))**2 + bfac**2) ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG waimfile.F waimfile.F:1224:0: note: loop vectorized waimfile.F:1224:0: note: loop versioned for vectorization because of possible aliasing waimfile.F:1224:0: note: loop peeled for vectorization to enhance alignment waimfile.F: In function 'waimfile_sph2cart': waimfile.F:1147:0: warning: 'nsf' may be used uninitialized in this function [-Wmaybe-uninitialized] integer np,iorb,forb,nsf ^ waimfile.F:1222:0: warning: 'iorb' may be used uninitialized in this function [-Wmaybe-uninitialized] do l=iorb,forb ^ waimfile.F:1222:0: warning: 'forb' may be used uninitialized in this function [-Wmaybe-uninitialized] waimfile.F:562:0: note: loop vectorized waimfile.F:562:0: note: loop versioned for vectorization because of possible aliasing waimfile.F:562:0: note: loop peeled for vectorization to enhance alignment waimfile.F:527:0: note: loop vectorized waimfile.F:527:0: note: loop versioned for vectorization because of possible aliasing waimfile.F:527:0: note: loop peeled for vectorization to enhance alignment waimfile.F:527:0: note: loop vectorized waimfile.F:527:0: note: loop versioned for vectorization because of possible aliasing waimfile.F:527:0: note: loop peeled for vectorization to enhance alignment prop_grid.F:34:0: note: loop vectorized prop_grid.F:34:0: note: loop peeled for vectorization to enhance alignment prop_grid.F:31:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG prop_grid.F make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libproperty.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libproperty.a hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o get_allAOints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o hnd_vec_write.o ao_1prdm_read.o ao_1prdm_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o prop_grid.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libproperty.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libproperty.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libproperty.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/property' Making libraries in solvation mnsol.F:1436.31: IF (LGRX) CALL SCOPYMN(3,0D0,0,DAREA(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1562.42: IF (LGRX) CALL SCOPYMN(3*(NCROSS+1),0D0,0,DCASLC(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1785.43: IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAPLY(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1788.43: IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAODD(1,0),1) 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:152.17: $X(LDCOTDR),X(LNC),X(LDAREA),X(LRLIO),X(LURLIO), 1 Warning: Type mismatch in argument 'nc' at (1); passed REAL(8) to INTEGER(8) mnsol.F:56.19: CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, 1 Warning: Rank mismatch in argument 'c' at (1) (rank-2 and scalar) make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mnsol_mem.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mnsol_interface.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mnsol.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG solv_data.F make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cosmo_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cosmo_initialize.F cosmo_charges.F:163:0: note: loop vectorized cosmo_charges.F:163:0: note: loop peeled for vectorization to enhance alignment cosmo_charges.F:160:0: note: loop vectorized cosmo_charges.F:160:0: note: loop peeled for vectorization to enhance alignment cosmo_charges.F:171:0: note: loop vectorized cosmo_charges.F:171:0: note: loop peeled for vectorization to enhance alignment cosmo_charges.F:168:0: note: loop vectorized cosmo_charges.F:168:0: note: loop peeled for vectorization to enhance alignment cosmo_charges.F:121:0: note: loop vectorized cosmo_charges.F:121:0: note: loop peeled for vectorization to enhance alignment cosmo_charges.F:324:0: note: loop vectorized cosmo_charges.F:324:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cosmo_tidy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cosmo_def_radii.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cosmo_charges.F hnd_cosmo_lib.F:2438.25: 1 x(i40),x(i50),deta,ierr,nodcmp) 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) hnd_cosmo_lib.F:2454.27: 1 x(i40),x(i50),deta,ierr,nodcmp) 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) hnd_cosmo_lib.F: In function 'hnd_cossph': hnd_cosmo_lib.F:1173:0: warning: 'do_cosmo_yk' is used uninitialized in this function [-Wuninitialized] if (do_cosmo_model.eq.DO_COSMO_YK) nfac =nseg ^ hnd_cosmo_lib.F:3617:0: note: loop vectorized hnd_cosmo_lib.F:3617:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3611:0: note: loop vectorized hnd_cosmo_lib.F:3611:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3589:0: note: loop vectorized hnd_cosmo_lib.F:3589:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3583:0: note: loop vectorized hnd_cosmo_lib.F:3583:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3574:0: note: loop vectorized hnd_cosmo_lib.F:3574:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3566:0: note: loop vectorized hnd_cosmo_lib.F:3566:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3560:0: note: loop vectorized hnd_cosmo_lib.F:3560:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3690:0: note: loop vectorized hnd_cosmo_lib.F:3690:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3679:0: note: loop vectorized hnd_cosmo_lib.F:3679:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3762:0: note: loop vectorized hnd_cosmo_lib.F:3762:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3738:0: note: loop vectorized hnd_cosmo_lib.F:3738:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3726:0: note: loop vectorized hnd_cosmo_lib.F:3726:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3712:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../nwdft/include -I../ddscf -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hnd_cosmo_lib.F hnd_cosmo_lib.F:3690:0: note: loop vectorized hnd_cosmo_lib.F:3690:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3679:0: note: loop vectorized hnd_cosmo_lib.F:3679:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3656:0: note: loop vectorized hnd_cosmo_lib.F:598:0: note: loop vectorized hnd_cosmo_lib.F:598:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:541:0: note: loop vectorized hnd_cosmo_lib.F:541:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:552:0: note: loop vectorized hnd_cosmo_lib.F:552:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:485:0: note: loop vectorized hnd_cosmo_lib.F:485:0: note: loop versioned for vectorization because of possible aliasing hnd_cosmo_lib.F:477:0: note: loop vectorized hnd_cosmo_lib.F: In function 'hnd_cossas': hnd_cosmo_lib.F:657:0: warning: 'ratm_real' may be used uninitialized in this function [-Wmaybe-uninitialized] 1 +xyzseg(i,iseg)*ratm_real ^ hnd_cosmo_lib.F:1563:0: note: loop vectorized hnd_cosmo_lib.F:1552:0: note: loop vectorized hnd_cosmo_lib.F:1541:0: note: loop vectorized hnd_cosmo_lib.F:1530:0: note: loop vectorized hnd_cosmo_lib.F:1466:0: note: loop vectorized hnd_cosmo_lib.F:1323:0: note: loop vectorized hnd_cosmo_lib.F:1308:0: note: basic block vectorized hnd_cosmo_lib.F:1412:0: note: loop vectorized hnd_cosmo_lib.F:1398:0: note: loop vectorized hnd_cosmo_lib.F:1154:0: note: loop vectorized hnd_cosmo_lib.F:1154:0: note: loop versioned for vectorization because of possible aliasing hnd_cosmo_lib.F:1323:0: note: loop vectorized hnd_cosmo_lib.F:1308:0: note: basic block vectorized hnd_cosmo_lib.F:250:0: note: loop vectorized hnd_cosmo_lib.F:250:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:250:0: note: loop vectorized hnd_cosmo_lib.F:250:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:245:0: note: loop vectorized hnd_cosmo_lib.F:250:0: note: loop vectorized hnd_cosmo_lib.F:250:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:250:0: note: loop vectorized hnd_cosmo_lib.F:250:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:245:0: note: loop vectorized hnd_cosmo_lib.F:209:0: note: loop vectorized hnd_cosmo_lib.F:209:0: note: loop versioned for vectorization because of possible aliasing hnd_cosmo_lib.F:209:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2855:0: note: loop vectorized hnd_cosmo_lib.F:2855:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2846:0: note: loop vectorized hnd_cosmo_lib.F:2846:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2830:0: note: loop vectorized hnd_cosmo_lib.F:2830:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2708:0: note: loop vectorized hnd_cosmo_lib.F:2708:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2649:0: note: loop vectorized hnd_cosmo_lib.F:2649:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2628:0: note: loop vectorized hnd_cosmo_lib.F:2628:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2614:0: note: loop vectorized hnd_cosmo_lib.F:2614:0: note: loop versioned for vectorization because of possible aliasing hnd_cosmo_lib.F:2614:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2601:0: note: loop vectorized hnd_cosmo_lib.F:2601:0: note: loop versioned for vectorization because of possible aliasing hnd_cosmo_lib.F:2601:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2593:0: note: loop vectorized hnd_cosmo_lib.F:2593:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2584:0: note: loop vectorized hnd_cosmo_lib.F:2584:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2567:0: note: loop vectorized hnd_cosmo_lib.F:2567:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3656:0: note: loop vectorized hnd_cosmo_lib.F:2446:0: note: loop vectorized hnd_cosmo_lib.F:2446:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:3656:0: note: loop vectorized hnd_cosmo_lib.F:2430:0: note: loop vectorized hnd_cosmo_lib.F:2430:0: note: loop versioned for vectorization because of possible aliasing hnd_cosmo_lib.F:2430:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2545:0: note: loop vectorized hnd_cosmo_lib.F:2545:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F:2285:0: note: loop vectorized hnd_cosmo_lib.F:2285:0: note: loop peeled for vectorization to enhance alignment hnd_cosmo_lib.F: In function 'hnd_coschg': hnd_cosmo_lib.F:2431:0: warning: 'ieq' may be used uninitialized in this function [-Wmaybe-uninitialized] x(ief+ieq-1)=x(ief+iep-1) ^ hnd_cosmo_lib.F:2431:0: warning: 'iep' may be used uninitialized in this function [-Wmaybe-uninitialized] make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libsolvation.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libsolvation.a mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o hnd_cosmo_lib.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libsolvation.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libsolvation.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libsolvation.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/solvation' Making libraries in nwpw make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_default.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_vectors_input.F Making all in nwpwlib make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib' Making all in Parallel make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' Parallel-mpi.F:201.48: call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:212.48: call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:378.48: call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:392.48: call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:405.48: call stupid_icopy8to4(np_k,int_mb(tmp(1)),int_mb(tmp2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:783.34: call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:788.30: call stupid_icopy4to8(n,int_mb(sumall(1)),sum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:973.42: call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:976.37: call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1063.37: call stupid_icopy8to4(nreq,req,int_mb(request2(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1403.34: call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1408.30: call stupid_icopy4to8(n,int_mb(sumall(1)),sum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1609.42: call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1612.37: call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1984.39: call stupid_icopy8to4(nsize,ival,int_mb(ival4(1))) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2123.34: call stupid_icopy4to8(nsize,int_mb(ival4(1)),ival) 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1015:0: note: loop vectorized Parallel-mpi.F:1015:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:125:0: note: loop vectorized Parallel-mpi.F:125:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 Parallel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 Parallel-mpi.F Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:198:0: note: loop vectorized Parallel-mpi.F:198:0: note: loop versioned for vectorization because of possible aliasing Parallel-mpi.F:198:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:372:0: note: loop vectorized Parallel-mpi.F:372:0: note: loop versioned for vectorization because of possible aliasing Parallel-mpi.F:372:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1015:0: note: loop vectorized Parallel-mpi.F:1015:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1015:0: note: loop vectorized Parallel-mpi.F:1015:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1015:0: note: loop vectorized Parallel-mpi.F:1015:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1015:0: note: loop vectorized Parallel-mpi.F:1015:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1003:0: note: loop vectorized Parallel-mpi.F:1003:0: note: loop peeled for vectorization to enhance alignment Parallel-mpi.F:1015:0: note: loop vectorized Parallel-mpi.F:1015:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a Parallel.o Parallel-mpi.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Parallel' Making all in D1dB make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' D1dB.F:126:0: note: loop vectorized D1dB.F:126:0: note: loop versioned for vectorization because of possible aliasing D1dB.F:126:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 D1dB.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 Dne.F Dne.F:5481:0: note: loop vectorized Dne.F:5481:0: note: loop peeled for vectorization to enhance alignment Dne.F:2314:0: note: loop vectorized Dne.F:2314:0: note: loop peeled for vectorization to enhance alignment Dne.F:5183:0: note: loop vectorized Dne.F:5183:0: note: loop peeled for vectorization to enhance alignment Dne.F:127:0: note: loop vectorized Dne.F:127:0: note: loop peeled for vectorization to enhance alignment Dne.F:119:0: note: loop vectorized Dne.F:119:0: note: loop peeled for vectorization to enhance alignment Dne.F:416:0: note: basic block vectorized Dne.F:434:0: note: basic block vectorized Dne.F:1770:0: note: loop vectorized Dne.F:1770:0: note: loop peeled for vectorization to enhance alignment Dne.F:1755:0: note: loop vectorized Dne.F:1755:0: note: loop versioned for vectorization because of possible aliasing Dne.F:1755:0: note: loop peeled for vectorization to enhance alignment Dne.F:1904:0: note: loop vectorized Dne.F:1904:0: note: loop versioned for vectorization because of possible aliasing Dne.F:1904:0: note: loop peeled for vectorization to enhance alignment Dne.F:1991:0: note: loop vectorized Dne.F:1991:0: note: loop versioned for vectorization because of possible aliasing Dne.F:1991:0: note: loop peeled for vectorization to enhance alignment Dne.F:1973:0: note: loop vectorized Dne.F:1973:0: note: loop peeled for vectorization to enhance alignment Dne.F:2045:0: note: loop vectorized Dne.F:2045:0: note: loop versioned for vectorization because of possible aliasing Dne.F:2045:0: note: loop peeled for vectorization to enhance alignment Dne.F:2092:0: note: loop vectorized Dne.F:2092:0: note: loop peeled for vectorization to enhance alignment Dne.F:2193:0: note: loop vectorized Dne.F:2193:0: note: loop peeled for vectorization to enhance alignment Dne.F:2314:0: note: loop vectorized Dne.F:2314:0: note: loop peeled for vectorization to enhance alignment Dne.F:2402:0: note: loop vectorized Dne.F:2402:0: note: loop peeled for vectorization to enhance alignment Dne.F:2501:0: note: loop vectorized Dne.F:2501:0: note: loop peeled for vectorization to enhance alignment Dne.F:2598:0: note: loop vectorized Dne.F:2598:0: note: loop peeled for vectorization to enhance alignment Dne.F:2912:0: note: loop vectorized Dne.F:2912:0: note: loop peeled for vectorization to enhance alignment Dne.F:2903:0: note: loop vectorized Dne.F:2903:0: note: loop peeled for vectorization to enhance alignment Dne.F:2943:0: note: loop vectorized Dne.F:2943:0: note: loop peeled for vectorization to enhance alignment Dne.F:2934:0: note: loop vectorized Dne.F:2934:0: note: loop peeled for vectorization to enhance alignment Dne.F:2974:0: note: loop vectorized Dne.F:2974:0: note: loop peeled for vectorization to enhance alignment Dne.F:2965:0: note: loop vectorized Dne.F:3046:0: note: loop vectorized Dne.F:4073:0: note: loop vectorized Dne.F:4073:0: note: loop peeled for vectorization to enhance alignment Dne.F:4154:0: note: loop vectorized Dne.F:4154:0: note: loop peeled for vectorization to enhance alignment Dne.F:4237:0: note: loop vectorized Dne.F:4237:0: note: loop peeled for vectorization to enhance alignment Dne.F:4319:0: note: loop vectorized Dne.F:4319:0: note: loop peeled for vectorization to enhance alignment Dne.F:2314:0: note: loop vectorized Dne.F:2314:0: note: loop peeled for vectorization to enhance alignment Dne.F:5481:0: note: loop vectorized Dne.F:5481:0: note: loop versioned for vectorization because of possible aliasing Dne.F:5481:0: note: loop peeled for vectorization to enhance alignment Dne.F:5828:0: note: loop vectorized Dne.F:7482:0: note: loop vectorized Dne.F:7558:0: note: loop vectorized Dnex.F:90:0: note: basic block vectorized skew.F:586:0: note: loop vectorized skew.F:586:0: note: loop peeled for vectorization to enhance alignment skew.F:580:0: note: loop vectorized skew.F:580:0: note: loop peeled for vectorization to enhance alignment skew.F:222:0: note: loop vectorized skew.F:222:0: note: loop peeled for vectorization to enhance alignment skew.F:215:0: note: loop vectorized skew.F:186:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 Dnex.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 skew.F skew.F:55:0: note: loop vectorized skew.F:55:0: note: loop peeled for vectorization to enhance alignment skew.F:115:0: note: loop vectorized skew.F:115:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 D1dB-mpi.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o D1dB-mpi.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D1dB' Making all in D3dB make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' D3dB-new.F:1658.47: call cshift1_fftb(nx(nb),ny(nb),nq(nb),1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1667.47: call zeroend_fftb(nx(nb),ny(nb),nq(nb),1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1766.43: call cshift1_fftb(nx(nb),nq1(nb),1,1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1775.43: call zeroend_fftb(nx(nb),nq1(nb),1,1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2239.46: call cshift_fftf(nx(nb),ny(nb),nq(nb),1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2407.42: call cshift_fftf(nx(nb),nq1(nb),1,1,A) 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 D3dB-new.F D3dB-new.F:2552:0: note: loop vectorized D3dB-new.F:2552:0: note: loop versioned for vectorization because of possible aliasing D3dB-new.F:2552:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3203:0: note: loop vectorized D3dB-new.F:3203:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3190:0: note: loop vectorized D3dB-new.F:3190:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:2552:0: note: loop vectorized D3dB-new.F:2552:0: note: loop versioned for vectorization because of possible aliasing D3dB-new.F:2552:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:2552:0: note: loop vectorized D3dB-new.F:2552:0: note: loop versioned for vectorization because of possible aliasing D3dB-new.F:2552:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:2821:0: note: loop vectorized D3dB-new.F:2838:0: note: loop vectorized D3dB-new.F:2857:0: note: loop vectorized D3dB-new.F:2857:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:2873:0: note: loop vectorized D3dB-new.F:2873:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:2892:0: note: loop vectorized D3dB-new.F:2892:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:2910:0: note: loop vectorized D3dB-new.F:2973:0: note: loop vectorized D3dB-new.F:2996:0: note: loop vectorized D3dB-new.F:2996:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3020:0: note: loop vectorized D3dB-new.F:3020:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3044:0: note: loop vectorized D3dB-new.F:3044:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3067:0: note: loop vectorized D3dB-new.F:3067:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3090:0: note: loop vectorized D3dB-new.F:3090:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3113:0: note: loop vectorized D3dB-new.F:3113:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3271:0: note: loop vectorized D3dB-new.F:3259:0: note: loop vectorized D3dB-new.F:3285:0: note: loop vectorized D3dB-new.F:3363:0: note: loop vectorized D3dB-new.F:3351:0: note: loop vectorized D3dB-new.F:3378:0: note: loop vectorized D3dB-new.F:3448:0: note: loop vectorized D3dB-new.F:3438:0: note: loop vectorized D3dB-new.F:3438:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3462:0: note: loop vectorized D3dB-new.F:3462:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3536:0: note: loop vectorized D3dB-new.F:3526:0: note: loop vectorized D3dB-new.F:3526:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3551:0: note: loop vectorized D3dB-new.F:3551:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3606:0: note: loop vectorized D3dB-new.F:3606:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3640:0: note: loop vectorized D3dB-new.F:3640:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3716:0: note: loop vectorized D3dB-new.F:3785:0: note: loop vectorized D3dB-new.F:3810:0: note: loop vectorized D3dB-new.F:3844:0: note: loop vectorized D3dB-new.F:3844:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3867:0: note: loop vectorized D3dB-new.F:3867:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3893:0: note: loop vectorized D3dB-new.F:3917:0: note: loop vectorized D3dB-new.F:3942:0: note: loop vectorized D3dB-new.F:3942:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3965:0: note: loop vectorized D3dB-new.F:3965:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:3989:0: note: loop vectorized D3dB-new.F:4026:0: note: loop vectorized D3dB-new.F:4026:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4063:0: note: loop vectorized D3dB-new.F:4063:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4086:0: note: loop vectorized D3dB-new.F:4086:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4111:0: note: loop vectorized D3dB-new.F:4111:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4137:0: note: loop vectorized D3dB-new.F:4163:0: note: loop vectorized D3dB-new.F:4187:0: note: loop vectorized D3dB-new.F:4187:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4218:0: note: loop vectorized D3dB-new.F:4218:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4258:0: note: loop vectorized D3dB-new.F:4258:0: note: loop versioned for vectorization because of possible aliasing D3dB-new.F:4258:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4295:0: note: loop vectorized D3dB-new.F:4295:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4316:0: note: loop vectorized D3dB-new.F:4316:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4339:0: note: loop vectorized D3dB-new.F:4339:0: note: loop versioned for vectorization because of possible aliasing D3dB-new.F:4339:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4362:0: note: loop vectorized D3dB-new.F:4362:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4506:0: note: loop vectorized D3dB-new.F:4506:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4560:0: note: loop vectorized D3dB-new.F:4550:0: note: loop vectorized D3dB-new.F:4550:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4573:0: note: loop vectorized D3dB-new.F:4573:0: note: loop peeled for vectorization to enhance alignment D3dB-new.F:4661:0: note: loop vectorized D3dB-new.F:4647:0: note: loop vectorized D3dB-new.F:4692:0: note: loop vectorized D3dB-new.F:4789:0: note: loop vectorized D3dB-new.F:4775:0: note: loop vectorized D3dB-new.F:4817:0: note: loop vectorized D3dB-new.F:5014:0: note: loop vectorized D3dB-new.F:5037:0: note: loop vectorized generate_map_indexes.F:114:0: note: loop vectorized generate_map_indexes.F:114:0: note: loop versioned for vectorization because of possible aliasing generate_map_indexes.F:114:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 generate_map_indexes.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 -O3 -funroll-loops -ffast-math -O1 -o hilbert.o hilbert.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 -O3 -funroll-loops -ffast-math -O1 -o hcurve.o hcurve.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 -O3 -funroll-loops -ffast-math -O1 -o olist.o olist.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 trans.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 D3dB_pfft.F D3dB_pfft.F:141:0: note: loop vectorized D3dB_pfft.F:141:0: note: loop peeled for vectorization to enhance alignment D3dB_pfft.F:97:0: note: loop vectorized D3dB_pfft.F:97:0: note: loop peeled for vectorization to enhance alignment D3dB_pfft.F:94:0: note: loop vectorized D3dB_pfft.F:94:0: note: loop peeled for vectorization to enhance alignment D3dB_pfft.F:267:0: note: loop vectorized D3dB_pfft.F:267:0: note: loop peeled for vectorization to enhance alignment D3dB_pfft.F:227:0: note: loop vectorized D3dB_pfft.F:227:0: note: loop peeled for vectorization to enhance alignment D3dB_pfft.F:224:0: note: loop vectorized D3dB_pfft.F:224:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 D3dB-mpi.F D3dB-mpi.F:3798.32: > dcpl_mb(tmp1(1)), 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4038.32: > dcpl_mb(tmp1(1)), 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:5059.34: > dcpl_mb(tmp1(1)), 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F: In function 'd3db_t_transpose_ijk': D3dB-mpi.F:626:0: warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] integer i,nnfft3d ^ D3dB-mpi.F: In function 'd3db_c_transpose_ijk': D3dB-mpi.F:418:0: warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] integer i,nnfft3d ^ D3dB-mpi.F:263:0: note: basic block vectorized make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a D3dB-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dB-mpi.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/D3dB' Making all in Pneb make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' Pneb.F:1986.31: > dbl_mb(a_shift), 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1990.48: call Pneb_makeOrtho(ms,nbq,npack1,dbl_mb(a_shift)) 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:1992.31: > dbl_mb(a_shift), 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2422.29: > dbl_mb(y1_shift), 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3477.33: > dbl_mb(Y_shift), 1 Warning: Type mismatch in argument 'y' at (1); passed REAL(8) to COMPLEX(8) make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Pneb.F Pneb.F:136:0: note: basic block vectorized Pneb.F:227:0: note: basic block vectorized Pneb.F:262:0: note: basic block vectorized Pneb.F:1646:0: note: loop vectorized Pneb.F:1646:0: note: loop peeled for vectorization to enhance alignment Pneb.F:1611:0: note: loop vectorized Pneb.F:1611:0: note: loop peeled for vectorization to enhance alignment Pneb.F:2941:0: note: loop vectorized Pneb.F:3029:0: note: loop vectorized Pneb.F:3118:0: note: loop vectorized Pneb.F:3362:0: note: basic block vectorized Pneb.F:3419:0: note: loop vectorized make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a Pneb.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/Pneb' Making all in K1dB make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' K1dB.F:101:0: note: loop vectorized K1dB.F:101:0: note: loop versioned for vectorization because of possible aliasing K1dB.F:101:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 K1dB.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 K1dB-mpi.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a K1dB.o K1dB-mpi.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/K1dB' Making all in C3dB make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 C3dB-new.F C3dB-new.F:1833:0: note: loop vectorized C3dB-new.F:1833:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:1821:0: note: loop vectorized C3dB-new.F:1821:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:1453:0: note: loop vectorized C3dB-new.F:1470:0: note: loop vectorized C3dB-new.F:1484:0: note: loop vectorized C3dB-new.F:1503:0: note: loop vectorized C3dB-new.F:1503:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:1519:0: note: loop vectorized C3dB-new.F:1519:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:1537:0: note: loop vectorized C3dB-new.F:1589:0: note: loop vectorized C3dB-new.F:1618:0: note: loop vectorized C3dB-new.F:1700:0: note: loop vectorized C3dB-new.F:1724:0: note: loop vectorized C3dB-new.F:1724:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:1746:0: note: loop vectorized C3dB-new.F:1746:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2274:0: note: loop vectorized C3dB-new.F:2291:0: note: loop vectorized C3dB-new.F:2306:0: note: loop vectorized C3dB-new.F:2330:0: note: loop vectorized C3dB-new.F:2354:0: note: loop vectorized C3dB-new.F:2374:0: note: loop vectorized C3dB-new.F:2444:0: note: loop vectorized C3dB-new.F:2468:0: note: loop vectorized C3dB-new.F:2468:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2491:0: note: loop vectorized C3dB-new.F:2491:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2517:0: note: loop vectorized C3dB-new.F:2541:0: note: loop vectorized C3dB-new.F:2559:0: note: loop vectorized C3dB-new.F:2585:0: note: loop vectorized C3dB-new.F:2608:0: note: loop vectorized C3dB-new.F:2635:0: note: loop vectorized C3dB-new.F:2635:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2659:0: note: loop vectorized C3dB-new.F:2659:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2710:0: note: loop vectorized C3dB-new.F:2727:0: note: loop vectorized C3dB-new.F:2753:0: note: loop vectorized C3dB-new.F:2778:0: note: loop vectorized C3dB-new.F:2778:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2805:0: note: loop vectorized C3dB-new.F:2831:0: note: loop vectorized C3dB-new.F:2855:0: note: loop vectorized C3dB-new.F:2855:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2883:0: note: loop vectorized C3dB-new.F:2883:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2908:0: note: loop vectorized C3dB-new.F:2908:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2931:0: note: loop vectorized C3dB-new.F:2931:0: note: loop versioned for vectorization because of possible aliasing C3dB-new.F:2931:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2956:0: note: loop vectorized C3dB-new.F:2956:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:2987:0: note: loop vectorized C3dB-new.F:2987:0: note: loop peeled for vectorization to enhance alignment C3dB-new.F:3031:0: note: basic block vectorized C3dB-new.F:3160:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 c_trans.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 C3dB_pfft.F C3dB_pfft.F:162:0: note: loop vectorized C3dB_pfft.F:162:0: note: loop peeled for vectorization to enhance alignment C3dB_pfft.F:97:0: note: loop vectorized C3dB_pfft.F:97:0: note: loop peeled for vectorization to enhance alignment C3dB_pfft.F:94:0: note: loop vectorized C3dB_pfft.F:94:0: note: loop peeled for vectorization to enhance alignment C3dB_pfft.F:327:0: note: loop vectorized C3dB_pfft.F:327:0: note: loop peeled for vectorization to enhance alignment C3dB_pfft.F:267:0: note: loop vectorized C3dB_pfft.F:267:0: note: loop peeled for vectorization to enhance alignment C3dB_pfft.F:264:0: note: loop vectorized C3dB_pfft.F:264:0: note: loop peeled for vectorization to enhance alignment C3dB-mpi.F:2891.32: > dcpl_mb(tmp1(1)), 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F: In function 'c3db_c_transpose_ijk': C3dB-mpi.F:433:0: warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] integer i,nnfft3d ^ C3dB-mpi.F: In function 'c3db_r_transpose_ijk': C3dB-mpi.F:617:0: warning: 'nnfft3d' may be used uninitialized in this function [-Wmaybe-uninitialized] integer i,nnfft3d ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 C3dB-mpi.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/C3dB' Making all in DMatrix make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 DMatrix.F DMatrix-mpi.F:900:0: note: loop vectorized DMatrix-mpi.F:900:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:106:0: note: loop vectorized DMatrix-mpi.F:106:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:84:0: note: loop vectorized DMatrix-mpi.F:84:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:80:0: note: loop vectorized DMatrix-mpi.F:80:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:328:0: note: loop vectorized DMatrix-mpi.F:328:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:284:0: note: loop vectorized DMatrix-mpi.F:284:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:267:0: note: loop vectorized DMatrix-mpi.F:267:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 DMatrix-mpi.F DMatrix-mpi.F:615:0: note: loop vectorized DMatrix-mpi.F:615:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:748:0: note: loop vectorized DMatrix-mpi.F:748:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:1115:0: note: loop vectorized DMatrix-mpi.F:1115:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:1109:0: note: loop vectorized DMatrix-mpi.F:1109:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:1381:0: note: loop vectorized DMatrix-mpi.F:1336:0: note: loop vectorized DMatrix-mpi.F:1627:0: note: loop vectorized DMatrix-mpi.F:1627:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:1575:0: note: loop vectorized DMatrix-mpi.F:1575:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:1951:0: note: loop vectorized DMatrix-mpi.F:1951:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F: In function 'dmatrix_combo_dgemm2': DMatrix-mpi.F:1947:0: warning: 'shft3' may be used uninitialized in this function [-Wmaybe-uninitialized] integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 ^ DMatrix-mpi.F:1947:0: warning: 'shft2' may be used uninitialized in this function [-Wmaybe-uninitialized] DMatrix-mpi.F:2366:0: note: loop vectorized DMatrix-mpi.F:2321:0: note: loop vectorized DMatrix-mpi.F:2300:0: note: loop vectorized DMatrix-mpi.F:2300:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:2264:0: note: loop vectorized DMatrix-mpi.F:2264:0: note: loop versioned for vectorization because of possible aliasing DMatrix-mpi.F:2264:0: note: loop peeled for vectorization to enhance alignment DMatrix-mpi.F:2250:0: note: loop vectorized DMatrix-mpi.F:2250:0: note: loop versioned for vectorization because of possible aliasing DMatrix-mpi.F:2250:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a DMatrix.o DMatrix-mpi.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/DMatrix' Making all in CMatrix make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 CMatrix.F CMatrix-mpi.F:900:0: note: loop vectorized CMatrix-mpi.F:106:0: note: loop vectorized CMatrix-mpi.F:94:0: note: loop vectorized CMatrix-mpi.F:84:0: note: loop vectorized CMatrix-mpi.F:84:0: note: loop peeled for vectorization to enhance alignment CMatrix-mpi.F:80:0: note: loop vectorized CMatrix-mpi.F:80:0: note: loop peeled for vectorization to enhance alignment CMatrix-mpi.F:328:0: note: loop vectorized CMatrix-mpi.F:299:0: note: loop vectorized CMatrix-mpi.F:287:0: note: loop vectorized CMatrix-mpi.F:284:0: note: loop vectorized CMatrix-mpi.F:284:0: note: loop peeled for vectorization to enhance alignment CMatrix-mpi.F:314:0: note: loop vectorized CMatrix-mpi.F:267:0: note: loop vectorized CMatrix-mpi.F:267:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DMPI -DMPI4 CMatrix-mpi.F CMatrix-mpi.F:615:0: note: loop vectorized CMatrix-mpi.F:748:0: note: loop vectorized CMatrix-mpi.F:1116:0: note: loop vectorized CMatrix-mpi.F:1110:0: note: loop vectorized CMatrix-mpi.F:1230:0: note: basic block vectorized CMatrix-mpi.F:1279:0: note: basic block vectorized CMatrix-mpi.F:1537:0: note: loop vectorized CMatrix-mpi.F:1537:0: note: loop peeled for vectorization to enhance alignment CMatrix-mpi.F:1485:0: note: loop vectorized CMatrix-mpi.F:1485:0: note: loop peeled for vectorization to enhance alignment CMatrix-mpi.F:1861:0: note: loop vectorized CMatrix-mpi.F: In function 'cmatrix_combo_zgemm2': CMatrix-mpi.F:1857:0: warning: 'shft3' may be used uninitialized in this function [-Wmaybe-uninitialized] integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 ^ CMatrix-mpi.F:1857:0: warning: 'shft2' may be used uninitialized in this function [-Wmaybe-uninitialized] make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a CMatrix.o CMatrix-mpi.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/CMatrix' Making all in control make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG control.F control.F:4294:0: note: basic block vectorized control.F:3151:0: note: basic block vectorized control.F:1109:0: note: loop vectorized control.F:1109:0: note: loop peeled for vectorization to enhance alignment control.F:4493:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_get_ne.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_get_version.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_get_header.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_get_header.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG get_psp_type.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o get_psp_type.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/control' Making all in lattice make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec lattice.f lattice.f:202:0: note: loop vectorized lattice.f:191:0: note: loop vectorized lattice.f:179:0: note: loop vectorized lattice.f:168:0: note: loop vectorized lattice.f:156:0: note: loop vectorized lattice.f:145:0: note: loop vectorized lattice.f:315:0: note: loop vectorized lattice.f:300:0: note: loop vectorized lattice.f:284:0: note: loop vectorized lattice.f:269:0: note: loop vectorized lattice.f:253:0: note: loop vectorized lattice.f:238:0: note: loop vectorized lattice.f:453:0: note: loop vectorized lattice.f:434:0: note: loop vectorized lattice.f:414:0: note: loop vectorized lattice.f:395:0: note: loop vectorized lattice.f:375:0: note: loop vectorized lattice.f:356:0: note: loop vectorized lattice.f:925:0: note: loop vectorized lattice.f:999:0: note: loop vectorized mask_init.F:71:0: note: loop vectorized mask_init.F:71:0: note: loop peeled for vectorization to enhance alignment mask_init.F:71:0: note: loop vectorized mask_init.F:71:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mask_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pack.F pack.F:156:0: note: basic block vectorized pack.F:161:0: note: basic block vectorized pack.F:164:0: note: basic block vectorized pack.F:1161:0: note: loop vectorized pack.F:1156:0: note: loop vectorized pack.F:1237:0: note: loop vectorized pack.F:1234:0: note: loop vectorized pack.F:1549:0: note: loop vectorized pack.F:1579:0: note: loop vectorized pack.F:1608:0: note: loop vectorized pack.F:1608:0: note: loop peeled for vectorization to enhance alignment pack.F:1637:0: note: loop vectorized pack.F:1637:0: note: loop peeled for vectorization to enhance alignment pack.F:1668:0: note: loop vectorized pack.F:1697:0: note: loop vectorized pack.F:1728:0: note: loop vectorized pack.F:1728:0: note: loop peeled for vectorization to enhance alignment pack.F:1755:0: note: loop vectorized pack.F:1755:0: note: loop peeled for vectorization to enhance alignment pack.F:1782:0: note: loop vectorized pack.F:1782:0: note: loop peeled for vectorization to enhance alignment pack.F:1810:0: note: loop vectorized pack.F:1841:0: note: loop vectorized pack.F:1869:0: note: loop vectorized pack.F:1899:0: note: loop vectorized pack.F:1930:0: note: loop vectorized pack.F:1930:0: note: loop peeled for vectorization to enhance alignment pack.F:1958:0: note: loop vectorized pack.F:1958:0: note: loop peeled for vectorization to enhance alignment pack.F:2048:0: note: loop vectorized pack.F:2078:0: note: loop vectorized pack.F:2106:0: note: loop vectorized pack.F:2138:0: note: loop vectorized pack.F:2168:0: note: loop vectorized pack.F:2198:0: note: loop vectorized pack.F:2229:0: note: loop vectorized pack.F:2262:0: note: loop vectorized pack.F:2290:0: note: loop vectorized pack.F:2318:0: note: loop vectorized pack.F:2348:0: note: loop vectorized pack.F:2375:0: note: loop vectorized pack.F:2402:0: note: loop vectorized pack.F:2430:0: note: loop vectorized pack.F:2457:0: note: loop vectorized pack.F:2489:0: note: loop vectorized pack.F:2516:0: note: loop vectorized pack.F:2547:0: note: loop vectorized pack.F:2577:0: note: loop vectorized pack.F:2609:0: note: loop vectorized pack.F:2609:0: note: loop peeled for vectorization to enhance alignment pack.F:2638:0: note: loop vectorized pack.F:2638:0: note: loop peeled for vectorization to enhance alignment pack.F:2667:0: note: loop vectorized pack.F:2667:0: note: loop peeled for vectorization to enhance alignment cloak.F:85:0: note: loop vectorized cloak.F:85:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cloak.F cram.F:993:0: note: loop vectorized cram.F:1001:0: note: loop vectorized cram.F:83:0: note: basic block vectorized cram.F:993:0: note: loop vectorized cram.F:993:0: note: loop vectorized cram.F:993:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cram.F cram.F:993:0: note: loop vectorized cram.F:993:0: note: loop vectorized cram.F:993:0: note: loop vectorized cram.F:993:0: note: loop vectorized cram.F:993:0: note: loop vectorized cram.F:1446:0: note: loop vectorized cram.F:1472:0: note: loop vectorized cram.F:1499:0: note: loop vectorized cram.F:1499:0: note: loop peeled for vectorization to enhance alignment cram.F:1526:0: note: loop vectorized cram.F:1526:0: note: loop peeled for vectorization to enhance alignment cram.F:1553:0: note: loop vectorized cram.F:1579:0: note: loop vectorized cram.F:1579:0: note: loop peeled for vectorization to enhance alignment cram.F:1604:0: note: loop vectorized cram.F:1604:0: note: loop peeled for vectorization to enhance alignment cram.F:1629:0: note: loop vectorized cram.F:1629:0: note: loop peeled for vectorization to enhance alignment cram.F:1656:0: note: loop vectorized cram.F:1684:0: note: loop vectorized cram.F:1711:0: note: loop vectorized cram.F:1739:0: note: loop vectorized cram.F:1769:0: note: loop vectorized cram.F:1769:0: note: loop peeled for vectorization to enhance alignment cram.F:1795:0: note: loop vectorized cram.F:1795:0: note: loop peeled for vectorization to enhance alignment cram.F:1846:0: note: loop vectorized cram.F:1846:0: note: loop peeled for vectorization to enhance alignment cram.F:1874:0: note: loop vectorized cram.F:1901:0: note: loop vectorized cram.F:1927:0: note: loop vectorized cram.F:1953:0: note: loop vectorized cram.F:1980:0: note: loop vectorized cram.F:2008:0: note: loop vectorized cram.F:2034:0: note: loop vectorized cram.F:2060:0: note: loop vectorized cram.F:2087:0: note: loop vectorized cram.F:2116:0: note: loop vectorized cram.F:2144:0: note: loop vectorized cram.F:2144:0: note: loop peeled for vectorization to enhance alignment cram.F:2169:0: note: loop vectorized cram.F:2169:0: note: loop peeled for vectorization to enhance alignment cram.F:2201:0: note: loop vectorized cram.F:2231:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG balance.F balance.F:230:0: note: loop vectorized balance.F:230:0: note: loop peeled for vectorization to enhance alignment balance.F:365:0: note: loop vectorized balance.F:365:0: note: loop peeled for vectorization to enhance alignment balance.F:365:0: note: loop vectorized balance.F:365:0: note: loop peeled for vectorization to enhance alignment balance.F:75:0: note: basic block vectorized balance.F:81:0: note: basic block vectorized balance.F:87:0: note: basic block vectorized c_balance.F:226:0: note: loop vectorized c_balance.F:226:0: note: loop peeled for vectorization to enhance alignment c_balance.F:75:0: note: basic block vectorized c_balance.F:81:0: note: basic block vectorized c_balance.F:87:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_balance.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG G_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_G_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG strfac.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cstrfac.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/lattice' Making all in io make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o compressed_io.o compressed_io.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_message.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG second.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a compressed_io.o nwpw_message.o second.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/io' Making all in ion make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec center.f center.f:202:0: note: loop vectorized center.f:256:0: note: loop vectorized ion_FixIon.F:254:0: note: loop vectorized ion_FixIon.F:254:0: note: loop versioned for vectorization because of possible aliasing ion_FixIon.F:212:0: note: loop vectorized ion_FixIon.F:212:0: note: loop versioned for vectorization because of possible aliasing ion_FixIon.F:212:0: note: loop peeled for vectorization to enhance alignment ion_FixIon.F:66:0: note: loop vectorized ion_FixIon.F:66:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ion_FixIon.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec incell1.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec incell2.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec incell3.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec unfold.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xyz.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ion.F ion.F:3933:0: note: loop vectorized ion.F:3933:0: note: loop peeled for vectorization to enhance alignment ion.F:4197:0: note: loop vectorized ion.F:4197:0: note: loop peeled for vectorization to enhance alignment ion.F:4156:0: note: loop vectorized ion.F:4156:0: note: loop peeled for vectorization to enhance alignment ion.F:4118:0: note: loop vectorized ion.F:4118:0: note: loop versioned for vectorization because of possible aliasing ion.F:4118:0: note: loop peeled for vectorization to enhance alignment ion.F:185:0: note: basic block vectorized ion.F:185:0: note: basic block vectorized ion.F:185:0: note: basic block vectorized ion.F:1106:0: note: loop vectorized ion.F:1088:0: note: loop vectorized ion.F:1088:0: note: loop peeled for vectorization to enhance alignment ion.F:1051:0: note: loop vectorized ion.F:2514:0: note: loop vectorized ion.F:2514:0: note: loop versioned for vectorization because of possible aliasing ion.F:2514:0: note: loop vectorized ion.F:2514:0: note: loop versioned for vectorization because of possible aliasing ion.F:3933:0: note: loop vectorized ion.F:3933:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG katm_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec fcoord.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG seperate_molpsp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG seperate_pointcharge.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ion_scaling_atoms.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' Making all in shake make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' shake_chain.F:160:0: note: loop vectorized shake_chain.F:160:0: note: loop peeled for vectorization to enhance alignment shake_chain2.F:106:0: note: loop vectorized shake_chain2.F:106:0: note: loop peeled for vectorization to enhance alignment shake_chain2.F:27:0: note: loop vectorized shake_chain2.F:27:0: note: loop peeled for vectorization to enhance alignment shake_chain3.F:105:0: note: loop vectorized shake_chain3.F:105:0: note: loop peeled for vectorization to enhance alignment make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shake_chain.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shake_chain2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shake_chain3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shake_bonddiff.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG shake_analysis.F molecular.F:273:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG molecular.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o pspw_molecule.o pspw_molecule.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o pspw_atom.o pspw_atom.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o pspw_bond.o pspw_bond.c make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/shake' Making all in grimme_sh make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwxc_vdw3d_sh.F nwxc_vdw3a_sh.F:2174:0: note: loop vectorized nwxc_vdw3a_sh.F:2174:0: note: loop peeled for vectorization to enhance alignment nwxc_vdw3a_sh.F:2042:0: note: loop vectorized nwxc_vdw3a_sh.F:2042:0: note: loop peeled for vectorization to enhance alignment make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwxc_vdw3a_sh.F nwxc_vdw3a_sh.F:1646:0: note: basic block vectorized nwxc_vdw3a_sh.F: In function 'adisp_sh': nwxc_vdw3a_sh.F:1738:0: warning: 'e6' may be used uninitialized in this function [-Wmaybe-uninitialized] edisp=-(e6+e8) ^ nwxc_vdw3a_sh.F:837:0: note: loop vectorized nwxc_vdw3a_sh.F:557:0: note: loop vectorized nwxc_vdw3a_sh.F:555:0: note: loop vectorized nwxc_vdw3a_sh.F: In function 'nwxc_vdw3_dftd3_sh': nwxc_vdw3a_sh.F:453:0: warning: 'k' may be used uninitialized in this function [-Wmaybe-uninitialized] if(maxc6.and.k.lt.1)then ^ nwxc_vdw3a_sh.F:450:0: warning: 'j' may be used uninitialized in this function [-Wmaybe-uninitialized] if(minc6.and.j.lt.1)then ^ nwxc_vdw3a_sh.F:2547:0: note: loop vectorized nwxc_vdw3a_sh.F:2547:0: note: loop peeled for vectorization to enhance alignment nwxc_vdw3b_sh.F:850:0: note: loop vectorized nwxc_vdw3b_sh.F:850:0: note: loop peeled for vectorization to enhance alignment nwxc_vdw3b_sh.F:1429:0: note: loop vectorized nwxc_vdw3b_sh.F:1429:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwxc_vdw3b_sh.F nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2675:0: note: loop vectorized nwxc_vdw3c_sh.F:2692:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwxc_vdw3c_sh.F nwxc_vdw3c_sh.F:1118:0: note: loop vectorized nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2692:0: note: loop vectorized nwxc_vdw3c_sh.F:1218:0: note: loop vectorized nwxc_vdw3c_sh.F:1668:0: note: loop vectorized nwxc_vdw3c_sh.F:1558:0: note: loop vectorized nwxc_vdw3c_sh.F:1558:0: note: loop versioned for vectorization because of possible aliasing nwxc_vdw3c_sh.F:1558:0: note: loop peeled for vectorization to enhance alignment nwxc_vdw3c_sh.F:2109:0: note: loop vectorized nwxc_vdw3c_sh.F:2001:0: note: loop vectorized nwxc_vdw3c_sh.F:2001:0: note: loop versioned for vectorization because of possible aliasing nwxc_vdw3c_sh.F:2001:0: note: loop peeled for vectorization to enhance alignment nwxc_vdw3c_sh.F: In function 'pbcadisp_sh': nwxc_vdw3c_sh.F:2327:0: warning: 'e6' may be used uninitialized in this function [-Wmaybe-uninitialized] edisp=-(e6+e8) ^ nwxc_vdw3c_sh.F:2492:0: note: loop vectorized nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2715:0: note: loop vectorized nwxc_vdw3c_sh.F:2692:0: note: loop vectorized make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a nwxc_vdw3d_sh.o nwxc_vdw3a_sh.o nwxc_vdw3b_sh.o nwxc_vdw3c_sh.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion/grimme_sh' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ion' Making all in pseudopotential make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_generator_input.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o pspsolve.o pspsolve.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o hgh_parse.o hgh_parse.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o cpi_parse.o cpi_parse.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o teter_parse.o teter_parse.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o carter_parse.o carter_parse.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o qmmm_parse.o qmmm_parse.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o get_word.o get_word.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o name.o name.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o loggrid.o loggrid.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o pred_cor.o pred_cor.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o spline.o spline.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o grids.o grids.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o atom.o atom.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o schrodin.o schrodin.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o pauli.o pauli.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o dirac.o dirac.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o zora.o zora.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o dft.o dft.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o hartree.o hartree.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o dirac_exchange.o dirac_exchange.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o perdew_wang.o perdew_wang.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o perdew_zunger.o perdew_zunger.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o vosko.o vosko.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o pbe_exchange.o pbe_exchange.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o pbe_correlation.o pbe_correlation.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o revpbe_exchange.o revpbe_exchange.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o revpbe_correlation.o revpbe_correlation.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o becke_exchange.o becke_exchange.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o lyp_correlation2.o lyp_correlation2.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o hamann.o hamann.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o troullier.o troullier.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o xpansion.o xpansion.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o gaussj.o gaussj.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o vanderbilt.o vanderbilt.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o xpansion2.o xpansion2.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o psp1d.o psp1d.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o generate_rho_semicore.o generate_rho_semicore.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o debug.o debug.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o rhamann.o rhamann.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o rtroullier.o rtroullier.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -g -o rpsp.o rpsp.c Making all in paw_atom make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_atom_driver.o paw_atom_driver.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_atom.o paw_atom.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_basis.o paw_basis.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_scattering.o paw_scattering.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_schrodin.o paw_schrodin.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_pauli.o paw_pauli.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_orbitals.o paw_orbitals.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_kinetic_energy.o paw_kinetic_energy.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_potential.o paw_potential.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_dirac_exchange.o paw_dirac_exchange.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_vosko.o paw_vosko.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_hartree.o paw_hartree.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_core.o paw_core.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_comp_charge.o paw_comp_charge.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_ion.o paw_ion.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_matrix_elements.o paw_matrix_elements.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_pred_cor.o paw_pred_cor.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_loggrid.o paw_loggrid.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_bisect.o paw_bisect.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_error_function.o paw_error_function.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_get_inverse.o paw_get_inverse.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_my_constants.o paw_my_constants.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_utilities.o paw_utilities.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_output.o paw_output.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_sdir.o paw_sdir.c cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o paw_my_memory.o paw_my_memory.c make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential/paw_atom' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation2.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/pseudopotential' Making all in utilities make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_filefind.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_scratch.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_list.F nwpw_list.F:157:0: note: loop vectorized nwpw_list.F:157:0: note: loop versioned for vectorization because of possible aliasing nwpw_list.F:157:0: note: loop peeled for vectorization to enhance alignment nwpw_list.F:182:0: note: loop vectorized nwpw_list.F:182:0: note: loop versioned for vectorization because of possible aliasing nwpw_list.F:182:0: note: loop peeled for vectorization to enhance alignment nwpw_scf_mixing.F:360:0: note: loop vectorized nwpw_scf_mixing.F:360:0: note: loop versioned for vectorization because of possible aliasing nwpw_scf_mixing.F:335:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_scf_mixing.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_spline.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_interp.F nwpw_interp.F:229:0: note: loop vectorized nwpw_interp.F:339:0: note: loop vectorized kerker_G.F:60:0: note: loop vectorized kerker_G.F:60:0: note: loop versioned for vectorization because of possible aliasing kerker_G.F:60:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kerker_G.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpmd_properties.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_rdf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pair_dist.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pair_dist2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pair_distab.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG auto_corr.F auto_corr.F:225:0: note: loop vectorized auto_corr.F:520:0: note: loop vectorized auto_corr.F:520:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG generate_unfolded_xyz.F matrix.f:169:0: note: loop vectorized matrix.f:169:0: note: loop versioned for vectorization because of possible aliasing matrix.f:169:0: note: loop peeled for vectorization to enhance alignment matrix.f:253:0: note: loop vectorized matrix.f:253:0: note: loop versioned for vectorization because of possible aliasing matrix.f:253:0: note: loop peeled for vectorization to enhance alignment matrix.f:250:0: note: loop vectorized matrix.f:250:0: note: loop peeled for vectorization to enhance alignment matrix.f:220:0: note: loop vectorized matrix.f:220:0: note: loop peeled for vectorization to enhance alignment matrix.f:216:0: note: loop vectorized matrix.f:197:0: note: loop vectorized matrix.f:68:0: note: loop vectorized matrix.f:68:0: note: loop versioned for vectorization because of possible aliasing matrix.f:68:0: note: loop peeled for vectorization to enhance alignment matrix.f:68:0: note: loop vectorized matrix.f:68:0: note: loop versioned for vectorization because of possible aliasing matrix.f:68:0: note: loop peeled for vectorization to enhance alignment matrix.f:85:0: note: loop vectorized matrix.f:85:0: note: loop peeled for vectorization to enhance alignment matrix.f:110:0: note: loop vectorized matrix.f:110:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec matrix.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG simp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG is_sORd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_filefind.F getfilling.F:12:0: note: basic block vectorized densityofstates.F:82:0: note: loop vectorized densityofstates.F:82:0: note: loop peeled for vectorization to enhance alignment densityofstates.F:112:0: note: loop vectorized densityofstates.F:112:0: note: loop peeled for vectorization to enhance alignment densityofstates.F:253:0: note: loop vectorized densityofstates.F:253:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_psi_filefind.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG getfilling.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG CIF_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG densityofstates.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG MOTION_nframes.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG spdf_name.F cell.F:104:0: note: loop vectorized cell.F:104:0: note: loop peeled for vectorization to enhance alignment cpsi_data.F:52:0: note: loop vectorized cpsi_data.F:52:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cell.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cellgeometry.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_data.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_data.F psi_data.F:45:0: note: loop vectorized psi_data.F:45:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:427:0: note: loop vectorized log_integrate.F:427:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:60:0: note: loop vectorized log_integrate.F:60:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:185:0: note: loop vectorized log_integrate.F:185:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:189:0: note: loop vectorized log_integrate.F:189:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:132:0: note: loop vectorized log_integrate.F:132:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG butter.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG print_elapsed_time.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG log_integrate.F log_integrate.F:427:0: note: loop vectorized log_integrate.F:427:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:331:0: note: loop vectorized log_integrate.F:331:0: note: loop versioned for vectorization because of possible aliasing log_integrate.F:331:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:327:0: note: loop vectorized log_integrate.F:327:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:317:0: note: loop vectorized log_integrate.F:317:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:312:0: note: loop vectorized log_integrate.F:312:0: note: loop versioned for vectorization because of possible aliasing log_integrate.F:312:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:305:0: note: loop vectorized log_integrate.F:305:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:427:0: note: loop vectorized log_integrate.F:427:0: note: loop peeled for vectorization to enhance alignment log_integrate.F:371:0: note: loop vectorized log_integrate.F:371:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_parse.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_matrix_invert.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG analysis_expansion_coef.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_double_factorial.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_kbpp_ray.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o nwpw_talker.o nwpw_talker.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_expression.F cc -c -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -O3 -funroll-loops -ffast-math -O1 -o nwpw_emachine.o nwpw_emachine.c ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG BA_memory.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG btdb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG beom.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' Making all in paw_utilities make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_gaunt.F nwpw_gaunt.F:2370:0: note: loop vectorized nwpw_gaunt.F:1174:0: note: loop vectorized nwpw_gaunt.F:1174:0: note: loop peeled for vectorization to enhance alignment nwpw_gaunt.F:2443:0: note: loop vectorized nwpw_gaunt.F:2370:0: note: loop vectorized nwpw_gaunt.F:2370:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_compcharge.F nwpw_compcharge.F:4614:0: note: loop vectorized nwpw_compcharge.F:4614:0: note: loop versioned for vectorization because of possible aliasing nwpw_compcharge.F:4614:0: note: loop peeled for vectorization to enhance alignment nwpw_compcharge.F:277:0: note: loop vectorized nwpw_compcharge.F:277:0: note: loop versioned for vectorization because of possible aliasing nwpw_compcharge.F:277:0: note: loop peeled for vectorization to enhance alignment nwpw_compcharge.F: In function 'nwpw_compcharge_gen_de_qlm': nwpw_compcharge.F:1186:0: warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) ^ nwpw_compcharge.F:1185:0: warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) ^ nwpw_compcharge.F:1184:0: warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) ^ nwpw_compcharge.F:1324:0: note: loop vectorized nwpw_compcharge.F:1324:0: note: loop peeled for vectorization to enhance alignment nwpw_compcharge.F:1388:0: note: loop vectorized nwpw_compcharge.F:1388:0: note: loop peeled for vectorization to enhance alignment nwpw_compcharge.F:1643:0: note: loop vectorized nwpw_compcharge.F: In function 'nwpw_compcharge_gen_de_ncmp_vloc_qlm': nwpw_compcharge.F:3988:0: warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) ^ nwpw_compcharge.F:3987:0: warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) ^ nwpw_compcharge.F:3986:0: warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) ^ nwpw_compcharge.F: In function 'nwpw_compcharge_gen_de_ncmp_vloc_qlm_pw': nwpw_compcharge.F:4213:0: warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(glmvcmp(1)),e1z) ^ nwpw_compcharge.F:4212:0: warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(glmvcmp(1)),e1y) ^ nwpw_compcharge.F:4211:0: warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(glmvcmp(1)),e1x) ^ nwpw_compcharge.F:4614:0: note: loop vectorized nwpw_compcharge.F:4614:0: note: loop versioned for vectorization because of possible aliasing nwpw_compcharge.F:4614:0: note: loop peeled for vectorization to enhance alignment nwpw_compcharge.F: In function 'nwpw_compcharge_gen_de_ncmp_vloc_qlm_test': nwpw_compcharge.F:4864:0: warning: 'gz' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) ^ nwpw_compcharge.F:4863:0: warning: 'gy' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) ^ nwpw_compcharge.F:4862:0: warning: 'gx' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) ^ nwpw_xc.F:1785:0: note: loop vectorized nwpw_xc.F:1785:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1399:0: note: loop vectorized nwpw_xc.F:1399:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1376:0: note: loop vectorized nwpw_xc.F:1376:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1342:0: note: loop vectorized nwpw_xc.F:1342:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1718:0: note: loop vectorized nwpw_xc.F:1718:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1010:0: note: loop vectorized nwpw_xc.F:1010:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:966:0: note: loop vectorized nwpw_xc.F:966:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1285:0: note: loop vectorized nwpw_xc.F:1285:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1230:0: note: loop vectorized nwpw_xc.F:1230:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1239:0: note: loop vectorized nwpw_xc.F:1239:0: note: loop versioned for vectorization because of possible aliasing nwpw_xc.F:1239:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_xc.F nwpw_xc.F:1168:0: note: loop vectorized nwpw_xc.F:1168:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1160:0: note: loop vectorized nwpw_xc.F:1160:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1189:0: note: loop vectorized nwpw_xc.F:1189:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1179:0: note: loop vectorized nwpw_xc.F:1179:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:934:0: note: loop vectorized nwpw_xc.F:934:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:913:0: note: loop vectorized nwpw_xc.F:913:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:934:0: note: loop vectorized nwpw_xc.F:934:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:913:0: note: loop vectorized nwpw_xc.F:913:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:913:0: note: loop vectorized nwpw_xc.F:913:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:934:0: note: loop vectorized nwpw_xc.F:934:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:913:0: note: loop vectorized nwpw_xc.F:913:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1053:0: note: loop vectorized nwpw_xc.F:1053:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:913:0: note: loop vectorized nwpw_xc.F:913:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1661:0: note: loop vectorized nwpw_xc.F:1661:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1661:0: note: loop vectorized nwpw_xc.F:1661:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1622:0: note: loop vectorized nwpw_xc.F:1622:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1661:0: note: loop vectorized nwpw_xc.F:1661:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1555:0: note: loop vectorized nwpw_xc.F:1555:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1555:0: note: loop vectorized nwpw_xc.F:1555:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1522:0: note: loop vectorized nwpw_xc.F:1522:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:1555:0: note: loop vectorized nwpw_xc.F:1555:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:674:0: note: loop vectorized nwpw_xc.F:674:0: note: loop versioned for vectorization because of possible aliasing nwpw_xc.F:674:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:966:0: note: loop vectorized nwpw_xc.F:966:0: note: loop versioned for vectorization because of possible aliasing nwpw_xc.F:966:0: note: loop peeled for vectorization to enhance alignment nwpw_xc.F:889:0: note: loop vectorized nwpw_xc.F:889:0: note: loop peeled for vectorization to enhance alignment nwpw_vosko.F:85:0: note: loop vectorized nwpw_vosko.F:85:0: note: loop versioned for vectorization because of possible aliasing nwpw_vosko.F:85:0: note: loop peeled for vectorization to enhance alignment nwpw_vosko.F:102:0: note: loop vectorized nwpw_vosko.F:102:0: note: loop peeled for vectorization to enhance alignment nwpw_vosko.F:77:0: note: loop vectorized nwpw_vosko.F:77:0: note: loop peeled for vectorization to enhance alignment nwpw_gga.F:57:0: note: loop vectorized nwpw_gga.F:57:0: note: loop peeled for vectorization to enhance alignment nwpw_gga.F:42:0: note: loop vectorized nwpw_gga.F:42:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_vosko.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_gga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_SpecialKummer.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_GaussBessel.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_WGaussian.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_gauss_weights.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a nwpw_gaunt.o nwpw_compcharge.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities/paw_utilities' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/utilities' Making all in unitcell make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG simulation_cell_input.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a simulation_cell_input.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/unitcell' Making all in brillouin_zone make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' brillouin_zone_input.F:297:0: note: loop vectorized brillouin_zone_input.F:297:0: note: loop versioned for vectorization because of possible aliasing brillouin_zone_input.F:510:0: note: loop vectorized brillouin_zone_input.F:510:0: note: loop versioned for vectorization because of possible aliasing brillouin_zone_input.F:520:0: note: basic block vectorized brillouin_zone_input.F:98:0: note: loop vectorized brillouin_zone_input.F:98:0: note: loop versioned for vectorization because of possible aliasing brillouin_zone_input.F:108:0: note: basic block vectorized make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG brillouin_zone_input.F brillioun.F:87:0: note: loop vectorized brillioun.F:87:0: note: loop versioned for vectorization because of possible aliasing brillioun.F:87:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG brillioun.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a brillouin_zone_input.o brillioun.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/brillouin_zone' Making all in fractional make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' frac_occ_input.F:80:0: note: loop vectorized frac_occ_input.F:80:0: note: loop versioned for vectorization because of possible aliasing frac_occ_input.F:80:0: note: loop peeled for vectorization to enhance alignment frac_occ_input.F:90:0: note: basic block vectorized make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fractional.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG frac_occ_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG frac_occ.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/fractional' Making all in linesearch make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' Order_Values.F:24:0: note: loop vectorized Order_Values.F:24:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG linesearch.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Order_Values.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a linesearch.o Order_Values.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/linesearch' Making all in timing make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_timing.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a nwpw_timing.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/timing' Making all in ewald make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ewald.F ewald.F:978:0: note: loop vectorized ewald.F:692:0: note: loop vectorized ewald.F:692:0: note: loop vectorized ewald.F:978:0: note: loop vectorized ewald.F:978:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1273:0: note: loop vectorized ewald.F:1138:0: note: loop vectorized ewald.F:1138:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1138:0: note: loop peeled for vectorization to enhance alignment ewald.F:1126:0: note: loop vectorized ewald.F:1126:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1126:0: note: loop peeled for vectorization to enhance alignment ewald.F:1123:0: note: loop vectorized ewald.F:1123:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1123:0: note: loop peeled for vectorization to enhance alignment ewald.F:1120:0: note: loop vectorized ewald.F:1120:0: note: loop peeled for vectorization to enhance alignment ewald.F:1116:0: note: loop vectorized ewald.F:1116:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1116:0: note: loop peeled for vectorization to enhance alignment ewald.F:1112:0: note: loop vectorized ewald.F:1112:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1112:0: note: loop peeled for vectorization to enhance alignment ewald.F: In function 'ewald_stress': ewald.F:1113:0: warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] dbl_mb(tmp1(1)+i-1)=dbl_mb(F(1)+i-1)*dbl_mb(H(1)+i-1) ^ ewald.F:692:0: note: loop vectorized ewald.F:978:0: note: loop vectorized ewald.F:978:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1838:0: note: loop vectorized ewald.F:1705:0: note: loop vectorized ewald.F:1705:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1705:0: note: loop peeled for vectorization to enhance alignment ewald.F:1693:0: note: loop vectorized ewald.F:1693:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1693:0: note: loop peeled for vectorization to enhance alignment ewald.F:1690:0: note: loop vectorized ewald.F:1690:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1690:0: note: loop peeled for vectorization to enhance alignment ewald.F:1687:0: note: loop vectorized ewald.F:1687:0: note: loop peeled for vectorization to enhance alignment ewald.F:1683:0: note: loop vectorized ewald.F:1683:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1683:0: note: loop peeled for vectorization to enhance alignment ewald.F:1679:0: note: loop vectorized ewald.F:1679:0: note: loop versioned for vectorization because of possible aliasing ewald.F:1679:0: note: loop peeled for vectorization to enhance alignment ewald.F: In function 'ewald_stress_qm': ewald.F:1680:0: warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] dbl_mb(tmp1(1)+i-1)=dbl_mb(F(1)+i-1)*dbl_mb(H(1)+i-1) ^ ewald.F:692:0: note: loop vectorized ewald.F:978:0: note: loop vectorized ewald.F:978:0: note: loop versioned for vectorization because of possible aliasing ewald.F:2402:0: note: loop vectorized ewald.F:2269:0: note: loop vectorized ewald.F:2269:0: note: loop versioned for vectorization because of possible aliasing ewald.F:2269:0: note: loop peeled for vectorization to enhance alignment ewald.F:2257:0: note: loop vectorized ewald.F:2257:0: note: loop versioned for vectorization because of possible aliasing ewald.F:2257:0: note: loop peeled for vectorization to enhance alignment ewald.F:2254:0: note: loop vectorized ewald.F:2254:0: note: loop versioned for vectorization because of possible aliasing ewald.F:2254:0: note: loop peeled for vectorization to enhance alignment ewald.F:2251:0: note: loop vectorized ewald.F:2251:0: note: loop peeled for vectorization to enhance alignment ewald.F:2247:0: note: loop vectorized ewald.F:2247:0: note: loop versioned for vectorization because of possible aliasing ewald.F:2247:0: note: loop peeled for vectorization to enhance alignment ewald.F:2243:0: note: loop vectorized ewald.F:2243:0: note: loop versioned for vectorization because of possible aliasing ewald.F:2243:0: note: loop peeled for vectorization to enhance alignment ewald.F: In function 'ewald_stress_mm': ewald.F:2244:0: warning: 'f[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] dbl_mb(tmp1(1)+i-1)=dbl_mb(F(1)+i-1)*dbl_mb(H(1)+i-1) ^ ewald.F:978:0: note: loop vectorized ewald.F:978:0: note: loop versioned for vectorization because of possible aliasing ewald.F:978:0: note: loop vectorized ewald.F:978:0: note: loop versioned for vectorization because of possible aliasing ewald.F:978:0: note: loop vectorized ewald.F:978:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ewald_strfac.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a ewald.o ewald_strfac.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/ewald' Making all in thermostats make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' nose-hoover.F:173:0: note: loop vectorized nose-hoover.F:173:0: note: loop versioned for vectorization because of possible aliasing nose-hoover.F:173:0: note: loop peeled for vectorization to enhance alignment nose-hoover.F:170:0: note: loop vectorized nose-hoover.F:170:0: note: loop versioned for vectorization because of possible aliasing nose-hoover.F:170:0: note: loop peeled for vectorization to enhance alignment nose-hoover.F:181:0: note: loop vectorized nose-hoover.F:181:0: note: loop versioned for vectorization because of possible aliasing nose-hoover.F:181:0: note: loop peeled for vectorization to enhance alignment nose-hoover.F:177:0: note: loop vectorized nose-hoover.F:177:0: note: loop versioned for vectorization because of possible aliasing nose-hoover.F:177:0: note: loop peeled for vectorization to enhance alignment nose-hoover.F:225:0: note: loop vectorized nose-hoover.F:225:0: note: loop versioned for vectorization because of possible aliasing nose-hoover.F:225:0: note: loop peeled for vectorization to enhance alignment nose-hoover.F:221:0: note: loop vectorized nose-hoover.F:221:0: note: loop versioned for vectorization because of possible aliasing nose-hoover.F:221:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nose-hoover.F nose-hoover.F:674:0: note: loop vectorized nose-hoover.F:674:0: note: loop peeled for vectorization to enhance alignment nose-hoover.F:711:0: note: loop vectorized nose-hoover.F:711:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a nose-hoover.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/thermostats' Making all in MetaDynamics make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' metadynamics_input.F:637:0: note: loop vectorized metadynamics_input.F:637:0: note: loop versioned for vectorization because of possible aliasing metadynamics_input.F:637:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:633:0: note: loop vectorized metadynamics_input.F:633:0: note: loop versioned for vectorization because of possible aliasing metadynamics_input.F:633:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:561:0: note: loop vectorized metadynamics_input.F:561:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:573:0: note: loop vectorized metadynamics_input.F:573:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:768:0: note: loop vectorized metadynamics_input.F:768:0: note: loop versioned for vectorization because of possible aliasing metadynamics_input.F:768:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:709:0: note: loop vectorized metadynamics_input.F:709:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:1666:0: note: loop vectorized metadynamics_input.F:1666:0: note: loop versioned for vectorization because of possible aliasing metadynamics_input.F:1666:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:1662:0: note: loop vectorized metadynamics_input.F:1662:0: note: loop versioned for vectorization because of possible aliasing metadynamics_input.F:1662:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:1585:0: note: loop vectorized metadynamics_input.F:1585:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:1597:0: note: loop vectorized metadynamics_input.F:1597:0: note: loop peeled for vectorization to enhance alignment metadynamics_input.F:209:0: note: basic block vectorized metadynamics_input.F:315:0: note: basic block vectorized metadynamics_input.F:423:0: note: basic block vectorized metadynamics_input.F:841:0: note: basic block vectorized metadynamics_input.F:1083:0: note: basic block vectorized metadynamics_input.F:1338:0: note: basic block vectorized metadynamics_input.F:1558:0: note: basic block vectorized make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG metadynamics_input.F metadynamics_aux.F:228.57: > indx1(1),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:230.57: > indx1(2),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:244.62: > indx1(i+1),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:256.61: > indx1(n1),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:307.57: > indx1(1),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:309.57: > indx1(2),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:337.64: > indx1(i+1),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:369.61: > indx1(n1),nw,indxw,rion) 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F: In function 'metadynamics_coordsphereoverlap': metadynamics_aux.F:90:0: warning: 'drbdn2' is used uninitialized in this function [-Wuninitialized] dVdN2 = dVdRb*dRbdN2 ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG metadynamics_aux.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG metadynamics.F metadynamics.F: In function 'meta_setsn2surface': metadynamics.F:2034:0: warning: 'wr' may be used uninitialized in this function [-Wmaybe-uninitialized] real*8 wr,ar,br,wp,ap,bp,fr,fp,frp,gr,gp ^ metadynamics.F:2034:0: warning: 'wp' may be used uninitialized in this function [-Wmaybe-uninitialized] metadynamics.F:2034:0: warning: 'br' may be used uninitialized in this function [-Wmaybe-uninitialized] metadynamics.F:2034:0: warning: 'ar' may be used uninitialized in this function [-Wmaybe-uninitialized] metadynamics.F:261:0: note: loop vectorized metadynamics.F:261:0: note: loop peeled for vectorization to enhance alignment metadynamics.F:582:0: note: loop vectorized metadynamics.F:582:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/MetaDynamics' Making all in TAMD make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tamd_input.F tamd_input.F:765:0: note: loop vectorized tamd_input.F:765:0: note: loop versioned for vectorization because of possible aliasing tamd_input.F:765:0: note: loop peeled for vectorization to enhance alignment tamd_input.F:761:0: note: loop vectorized tamd_input.F:761:0: note: loop versioned for vectorization because of possible aliasing tamd_input.F:761:0: note: loop peeled for vectorization to enhance alignment tamd_input.F:667:0: note: loop vectorized tamd_input.F:667:0: note: loop peeled for vectorization to enhance alignment tamd_input.F:679:0: note: loop vectorized tamd_input.F:679:0: note: loop peeled for vectorization to enhance alignment tamd_input.F:902:0: note: loop vectorized tamd_input.F:902:0: note: loop versioned for vectorization because of possible aliasing tamd_input.F:902:0: note: loop peeled for vectorization to enhance alignment tamd_input.F:843:0: note: loop vectorized tamd_input.F:843:0: note: loop peeled for vectorization to enhance alignment tamd_input.F:229:0: note: basic block vectorized tamd_input.F:363:0: note: basic block vectorized tamd_input.F:497:0: note: basic block vectorized tamd_input.F:975:0: note: basic block vectorized tamd_input.F:1217:0: note: basic block vectorized tamd_input.F:1472:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG tamd.F tamd.F:268:0: note: loop vectorized tamd.F:268:0: note: loop peeled for vectorization to enhance alignment tamd.F:660:0: note: loop vectorized tamd.F:660:0: note: loop peeled for vectorization to enhance alignment tamd.F: In function 'tamd_setsn2surface': tamd.F:2257:0: warning: 'wr' may be used uninitialized in this function [-Wmaybe-uninitialized] real*8 wr,ar,br,wp,ap,bp,fr,fp,frp,gr,gp ^ tamd.F:2257:0: warning: 'wp' may be used uninitialized in this function [-Wmaybe-uninitialized] tamd.F:2257:0: warning: 'br' may be used uninitialized in this function [-Wmaybe-uninitialized] tamd.F:2257:0: warning: 'ar' may be used uninitialized in this function [-Wmaybe-uninitialized] make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a tamd_input.o tamd.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/TAMD' Making all in FMM make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fmm.F fmm.F:629:0: note: loop vectorized make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a fmm.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/FMM' Making all in md_xs make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' md_xs.F:968:0: note: basic block vectorized make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFEFF -DFEFF8 md_xs_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFEFF -DFEFF8 md_xs.F md_xs.F: In function 'task_md_xs': md_xs.F:275:0: warning: 'mc_algorithm' may be used uninitialized in this function [-Wmaybe-uninitialized] else if (mc_algorithm.eq.2) then ^ md_xs.F:39:0: note: 'mc_algorithm' was declared here integer seed,mc_napply,mc_ngroups,mc_group_size,mc_algorithm ^ md_xs.F:1416:0: note: loop vectorized md_xs.F:1416:0: note: loop peeled for vectorization to enhance alignment md_xs.F:1428:0: note: loop vectorized md_xs.F:1428:0: note: loop peeled for vectorization to enhance alignment md_xs.F:1556:0: note: loop vectorized md_xs.F:1556:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' Making all in FEFF6L feff6Lib.f:7514.20: 2 ispinr, dgc0, dpc0, et) 1 Warning: Type mismatch in argument 'dgc0' at (1); passed INTEGER(8) to REAL(8) feff6Lib.f:7528.20: 2 ispinr, dgc0, dpc0, etinit) 1 Warning: Type mismatch in argument 'dgc0' at (1); passed INTEGER(8) to REAL(8) feff6Lib.f:7537.20: 2 ispinr, dgc0, dpc0, etfin) 1 Warning: Type mismatch in argument 'dgc0' at (1); passed INTEGER(8) to REAL(8) feff6Lib.f:6532.20: common /atoms/ rat(3,0:natx), ipot(0:natx), i1b(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons feff6Lib.f:6123.20: common /atoms/ rat(3,0:natx), ipot(0:natx), i1b(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons feff6Lib.f:5383.20: common /atoms/ rat(3,0:natx), ipot(0:natx), i1b(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons feff6Lib.f:11304.20: common /atoms/ rat(3,0:natx), ipot(0:natx), ilb(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons feff6Lib.f:7126.20: common /atoms/ rat(3,0:natx), ipot(0:natx), i1b(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons feff6Lib.f:5577.20: common /atoms/ rat(3,0:natx), ipot(0:natx), i1b(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons feff6Lib.f:5773.20: common /atoms/ rat(3,0:natx), ipot(0:natx), i1b(0:natx) 1 Warning: Padding of 4 bytes required before 'ipot' in COMMON 'atoms' at (1); reorder elements or use -fno-align-commons make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O feff6Lib.f make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a feff6Lib.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs/FEFF6L' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a md_xs_input.o md_xs.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib/md_xs' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/nwpwlib' Making all in libraryps make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' nwpw_library.F: In function 'nwpw_libparse': nwpw_library.F:116:0: warning: 'sqptr_r' may be used uninitialized in this function [-Wmaybe-uninitialized] integer l_lgth,i,sqptr_l,sqptr_r,k_lgth ^ nwpw_library.F:116:0: warning: 'sqptr_l' may be used uninitialized in this function [-Wmaybe-uninitialized] make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_library.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_libfile.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_set_library.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpwlib.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/libraryps' Making all in pspw make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_pspw.F Making all in lib make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib' Making all in psi make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dipole.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec orthocheck.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi.F psi.F:5639:0: note: loop vectorized psi.F:5611:0: note: loop vectorized psi.F:5639:0: note: loop vectorized psi.F:5611:0: note: loop vectorized psi.F:3260:0: note: loop vectorized psi.F:3260:0: note: loop peeled for vectorization to enhance alignment psi.F:3326:0: note: loop vectorized psi.F:3326:0: note: loop peeled for vectorization to enhance alignment psi.F:4696:0: note: loop vectorized psi.F:4696:0: note: loop peeled for vectorization to enhance alignment psi.F:4686:0: note: loop vectorized psi.F:4686:0: note: loop peeled for vectorization to enhance alignment psi.F:4676:0: note: loop vectorized psi.F:4676:0: note: loop peeled for vectorization to enhance alignment psi.F:4955:0: note: loop vectorized psi.F:4955:0: note: loop versioned for vectorization because of possible aliasing psi.F:4955:0: note: loop peeled for vectorization to enhance alignment psi.F:5026:0: note: loop vectorized psi.F:5026:0: note: loop peeled for vectorization to enhance alignment psi.F:5519:0: note: loop vectorized psi.F:5519:0: note: loop versioned for vectorization because of possible aliasing psi.F:5521:0: note: basic block vectorized psi.F:5576:0: note: loop vectorized psi.F:5576:0: note: loop versioned for vectorization because of possible aliasing psi.F:5576:0: note: loop peeled for vectorization to enhance alignment psi.F:6824:0: note: basic block vectorized psi_spin2.F:55:0: note: loop vectorized psi_spin2.F:55:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_spin2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geodesic.F geodesic.F:202:0: note: loop vectorized geodesic.F:202:0: note: loop peeled for vectorization to enhance alignment geodesic.F:373:0: note: loop vectorized geodesic.F:373:0: note: loop peeled for vectorization to enhance alignment geodesic.F:492:0: note: loop vectorized geodesic.F:492:0: note: loop peeled for vectorization to enhance alignment geodesic.F:616:0: note: loop vectorized geodesic.F:616:0: note: loop peeled for vectorization to enhance alignment geodesic2.F:232:0: note: loop vectorized geodesic2.F:232:0: note: loop peeled for vectorization to enhance alignment geodesic2.F:406:0: note: loop vectorized geodesic2.F:406:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG geodesic2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Grassman.F psi_dmatrix.F:199:0: note: loop vectorized psi_dmatrix.F:199:0: note: loop peeled for vectorization to enhance alignment psi_dmatrix.F:186:0: note: loop vectorized psi_dmatrix.F:186:0: note: loop peeled for vectorization to enhance alignment psi_dmatrix.F:180:0: note: loop vectorized psi_dmatrix.F:180:0: note: loop peeled for vectorization to enhance alignment psi_dmatrix.F:114:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_dmatrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_psi_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_psi_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_new.F psi_history.F:210:0: note: loop vectorized psi_history.F:210:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_psi_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_history.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_write_filename.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_read_filename.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG berry_phase_pol.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a dipole.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o berry_phase_pol.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psi' Making all in electron make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_H.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_Hv4.F electron.F:1691:0: note: loop vectorized electron.F:1691:0: note: loop peeled for vectorization to enhance alignment electron.F:1704:0: note: loop vectorized electron.F:1704:0: note: loop peeled for vectorization to enhance alignment electron.F:1774:0: note: loop vectorized electron.F:1774:0: note: loop peeled for vectorization to enhance alignment electron.F:1786:0: note: loop vectorized electron.F:1786:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG electron.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a psi_H.o psi_Hv4.o electron.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/electron' Making all in ke make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' ke.F:66:0: note: loop vectorized ke.F:66:0: note: loop versioned for vectorization because of possible aliasing ke.F:66:0: note: loop peeled for vectorization to enhance alignment ke.F:521:0: note: basic block vectorized ke.F:586:0: note: loop vectorized make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ke.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a ke.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ke' Making all in coulomb make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' coulomb.F:65:0: note: loop vectorized coulomb.F:65:0: note: loop versioned for vectorization because of possible aliasing coulomb.F:65:0: note: loop peeled for vectorization to enhance alignment coulomb.F:403:0: note: loop vectorized coulomb.F:387:0: note: loop vectorized coulomb.F:371:0: note: loop vectorized coulomb.F:371:0: note: loop versioned for vectorization because of possible aliasing coulomb.F:371:0: note: loop peeled for vectorization to enhance alignment make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG coulomb.F coulomb2.F:285:0: note: loop vectorized coulomb2.F:285:0: note: loop versioned for vectorization because of possible aliasing coulomb_screened.F:647.43: call sub_coulomb_screened_init_print(dcpl_mb(tmp1(1)),rcut,pp) 1 Warning: Type mismatch in argument 'vc' at (1); passed COMPLEX(8) to REAL(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG coulomb2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG coulomb_screened.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a coulomb.o coulomb2.o coulomb_screened.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/coulomb' Making all in exchange-correlation make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' v_exc.F:78:0: note: loop vectorized v_exc.F:78:0: note: loop peeled for vectorization to enhance alignment v_exc.F:82:0: note: loop vectorized v_exc.F:82:0: note: loop peeled for vectorization to enhance alignment v_exc.F:119:0: note: loop vectorized v_exc.F:119:0: note: loop peeled for vectorization to enhance alignment v_exc.F:100:0: note: loop vectorized v_exc.F:100:0: note: loop peeled for vectorization to enhance alignment make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_bwexc_all.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_exc.F v_mexc.F:140:0: note: loop vectorized v_mexc.F:140:0: note: loop peeled for vectorization to enhance alignment v_mexc.F:445:0: note: loop vectorized v_mexc.F:445:0: note: loop peeled for vectorization to enhance alignment v_bwexc.F:151:0: note: loop vectorized v_bwexc.F:151:0: note: loop peeled for vectorization to enhance alignment v_bwexc.F:517:0: note: loop vectorized v_bwexc.F:517:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_mexc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_bwexc.F v_bwexc_euv.F:875:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_bwexc_euv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nwpw_meta_gga.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec pbe96.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec pbesol.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec revpbe.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec blyp.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG b3lyp.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bnl2007_x.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hsepbe.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a v_bwexc_all.o v_exc.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/exchange-correlation' Making all in sic make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' pspw_sic.F:54:0: note: loop vectorized pspw_sic.F:54:0: note: loop peeled for vectorization to enhance alignment pspw_sic.F:51:0: note: loop vectorized pspw_sic.F:51:0: note: loop peeled for vectorization to enhance alignment make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_sic.F pspw_sic.F:350:0: note: basic block vectorized pspw_sic.F:902:0: note: loop vectorized pspw_sic.F:902:0: note: loop peeled for vectorization to enhance alignment pspw_sic.F:892:0: note: loop vectorized pspw_sic.F:892:0: note: loop peeled for vectorization to enhance alignment pspw_sic.F:1117:0: note: loop vectorized pspw_sic.F:1117:0: note: loop peeled for vectorization to enhance alignment make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a pspw_sic.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/sic' Making all in hfx make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_hfx.F pspw_hfx.F:52:0: note: loop vectorized pspw_hfx.F:52:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_hfx_localized.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a pspw_hfx.o pspw_hfx_localized.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/hfx' Making all in ion make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ion_ion.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a ion_ion.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/ion' Making all in psp make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG MOTION.F psp.F:3464.24: > dbl_mb(tmp(1)),dbl_mb(tmp2(1)), 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) psp.F:978:0: note: loop vectorized psp.F:978:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp.F psp.F:2404:0: note: loop vectorized psp.F:2404:0: note: loop peeled for vectorization to enhance alignment psp.F:978:0: note: loop vectorized psp.F:978:0: note: loop peeled for vectorization to enhance alignment psp.F:194:0: note: loop vectorized psp.F:194:0: note: loop versioned for vectorization because of possible aliasing psp.F:194:0: note: loop peeled for vectorization to enhance alignment psp.F:194:0: note: loop vectorized psp.F:194:0: note: loop versioned for vectorization because of possible aliasing psp.F:194:0: note: loop peeled for vectorization to enhance alignment psp.F:194:0: note: loop vectorized psp.F:194:0: note: loop versioned for vectorization because of possible aliasing psp.F:194:0: note: loop peeled for vectorization to enhance alignment psp.F:1459:0: note: loop vectorized psp.F:1459:0: note: loop peeled for vectorization to enhance alignment psp.F: In function 'v_local': psp.F:1662:0: warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] > dbl_mb(xtmp(1)),fion(3,ii)) ^ psp.F:1660:0: warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] > dbl_mb(xtmp(1)),fion(2,ii)) ^ psp.F:1658:0: warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] > dbl_mb(xtmp(1)),fion(1,ii)) ^ psp.F: In function 'v_nonlocal': psp.F:1990:0: warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm ^ psp.F:1990:0: warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp.F:1990:0: warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_olddebug.F:221:0: note: loop vectorized psp_olddebug.F: In function 'v_nonlocal_old': psp_olddebug.F:35:0: warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] integer G(3),npack1,nion,nu ^ psp_olddebug.F:35:0: warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_olddebug.F:35:0: warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_olddebug.F psp_olddebug.F:485:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_cmp_dE_Qlm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw.F paw.F:2866.38: call v_local_seperate_paw(dbl_mb(rho_cmp_smooth(1)), 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3070.38: call v_local_seperate_paw(dbl_mb(rho_cmp_smooth(1)), 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3088.41: call f_local_seperate_paw(dbl_mb(rho_cmp_smooth(1)), 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4337.38: call v_local_seperate_paw(dbl_mb(rho_cmp_smooth(1)), 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4355.41: call f_local_seperate_paw(dbl_mb(rho_cmp_smooth(1)), 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:147:0: note: loop vectorized paw.F:147:0: note: loop peeled for vectorization to enhance alignment paw.F:4123:0: note: loop vectorized paw.F:4123:0: note: loop peeled for vectorization to enhance alignment paw.F:3939:0: note: loop vectorized paw.F:3939:0: note: loop peeled for vectorization to enhance alignment paw.F: In function 'v_locals_paw': paw.F:1106:0: warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(G(3)),dbl_mb(xtmp(1)),fion(3,ii)) ^ paw.F:1105:0: warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(G(2)),dbl_mb(xtmp(1)),fion(2,ii)) ^ paw.F:1104:0: warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_tt_idot(0,dbl_mb(G(1)),dbl_mb(xtmp(1)),fion(1,ii)) ^ paw.F:2329:0: note: loop vectorized paw.F:2329:0: note: loop peeled for vectorization to enhance alignment paw.F:2473:0: note: loop vectorized paw.F:2473:0: note: loop peeled for vectorization to enhance alignment paw.F:2657:0: note: loop vectorized paw.F:2657:0: note: loop peeled for vectorization to enhance alignment paw.F:3253:0: note: loop vectorized paw.F:3253:0: note: loop peeled for vectorization to enhance alignment paw.F:3356:0: note: loop vectorized paw.F:3356:0: note: loop peeled for vectorization to enhance alignment paw.F:3344:0: note: loop vectorized paw.F:3344:0: note: loop versioned for vectorization because of possible aliasing paw.F:3344:0: note: loop peeled for vectorization to enhance alignment paw.F:3325:0: note: loop vectorized paw.F:3325:0: note: loop peeled for vectorization to enhance alignment paw.F:3321:0: note: loop vectorized paw.F:3321:0: note: loop peeled for vectorization to enhance alignment paw.F: In function 'psp_rholm_solve': paw.F:3345:0: warning: 'taunt' may be used uninitialized in this function [-Wmaybe-uninitialized] rholm_ae(ig,ms,lm) = taunt*rholm_ae(ig,ms,1) ^ psp_stress.F:704.24: > dbl_mb(tmp(1)),dbl_mb(tmp2(1)), 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) psp_stress.F:219:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG semicore.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG semicore_force.F psp_U.F:819:0: note: loop vectorized psp_U.F: In function 'psputerm_gen_vmm': psp_U.F:823:0: warning: 'density[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] density_total = density(1)+density(ispin) ^ psp_U.F:823:0: warning: 'density[_220]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:906:0: note: loop vectorized psp_U.F:906:0: note: loop peeled for vectorization to enhance alignment psp_U.F:388:0: note: loop vectorized psp_U.F: In function 'psp_u_v_nonlocal': psp_U.F:200:0: warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] integer G(3),npack1,nion,nu ^ psp_U.F:200:0: warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:200:0: warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] psp_U.F:659:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_U.F psp_ld.F:585:0: note: loop vectorized psp_ld.F:585:0: note: loop peeled for vectorization to enhance alignment psp_ld.F:398:0: note: loop vectorized psp_ld.F:398:0: note: loop peeled for vectorization to enhance alignment psp_ld.F:398:0: note: loop vectorized psp_ld.F:398:0: note: loop peeled for vectorization to enhance alignment psp_ld.F:307:0: note: loop vectorized psp_ld.F:622:0: note: loop vectorized psp_ld.F:622:0: note: loop versioned for vectorization because of possible aliasing psp_ld.F:622:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_ld.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/psp' Making all in Grsm_list make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_Grsm_list.F pspw_diis.F:95:0: note: loop vectorized pspw_diis.F:95:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_lmbfgs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_lmbfgs2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_lmbfgs3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_diis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_rmmdiis.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/Grsm_list' Making all in aorbs make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' aorbs.F:686.24: > dbl_mb(tmp(1)),dbl_mb(tmp2(1)), 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) aorbs.F:737:0: note: loop vectorized aorbs.F:737:0: note: loop versioned for vectorization because of possible aliasing aorbs.F:737:0: note: loop peeled for vectorization to enhance alignment make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aorbs.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a aorbs.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/aorbs' Making all in truncating_function make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG truncating_function.F truncating_function.F:235:0: note: loop vectorized truncating_function.F:235:0: note: loop peeled for vectorization to enhance alignment truncating_function.F:235:0: note: loop vectorized truncating_function.F:235:0: note: loop versioned for vectorization because of possible aliasing truncating_function.F:235:0: note: loop peeled for vectorization to enhance alignment make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a truncating_function.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib/truncating_function' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lib' Making all in kbpp make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_formatter_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_formatter.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psp_stress_formatter.F pawppv1.F:648:0: note: loop vectorized pawppv1.F:648:0: note: loop peeled for vectorization to enhance alignment hghppv1.F:283:0: note: loop vectorized hghppv1.F:283:0: note: loop versioned for vectorization because of possible aliasing hghppv1.F:283:0: note: loop peeled for vectorization to enhance alignment hghppv1.F:234:0: note: loop vectorized hghppv1.F:234:0: note: loop versioned for vectorization because of possible aliasing hghppv1.F:234:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pawppv1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hghppv1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG HGH_local.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG HGH_nonlocal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Tesseral.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbppv3.F kbppv3.F:327:0: note: loop vectorized kbppv3.F:327:0: note: loop versioned for vectorization because of possible aliasing kbppv3.F:327:0: note: loop peeled for vectorization to enhance alignment kbppv3.F:320:0: note: loop vectorized kbppv3.F:320:0: note: loop versioned for vectorization because of possible aliasing kbppv3.F:320:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbppv3-stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec setup_kbpp.f integrate_kbppv3.f:368:0: note: loop vectorized integrate_kbppv3.f:368:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:354:0: note: loop vectorized integrate_kbppv3.f:354:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:325:0: note: loop vectorized integrate_kbppv3.f:325:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:307:0: note: loop vectorized integrate_kbppv3.f:307:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:302:0: note: loop vectorized integrate_kbppv3.f:302:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:272:0: note: loop vectorized integrate_kbppv3.f:272:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:260:0: note: loop vectorized integrate_kbppv3.f:260:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:239:0: note: loop vectorized integrate_kbppv3.f:239:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:204:0: note: loop vectorized integrate_kbppv3.f:204:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:149:0: note: loop vectorized integrate_kbppv3.f:149:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:105:0: note: loop vectorized integrate_kbppv3.f:105:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3.f:95:0: note: loop vectorized integrate_kbppv3.f:95:0: note: loop versioned for vectorization because of possible aliasing integrate_kbppv3.f:95:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_ray.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3.f integrate_kbppv3_new.f:105:0: note: loop vectorized integrate_kbppv3_new.f:105:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_new.f:95:0: note: loop vectorized integrate_kbppv3_new.f:95:0: note: loop versioned for vectorization because of possible aliasing integrate_kbppv3_new.f:95:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:237:0: note: loop vectorized integrate_kbppv3_ray.f:237:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:225:0: note: loop vectorized integrate_kbppv3_ray.f:225:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:196:0: note: loop vectorized integrate_kbppv3_ray.f:196:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:182:0: note: loop vectorized integrate_kbppv3_ray.f:182:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:177:0: note: loop vectorized integrate_kbppv3_ray.f:177:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:147:0: note: loop vectorized integrate_kbppv3_ray.f:147:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:136:0: note: loop vectorized integrate_kbppv3_ray.f:136:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:127:0: note: loop vectorized integrate_kbppv3_ray.f:127:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:116:0: note: loop vectorized integrate_kbppv3_ray.f:116:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3_ray.f:104:0: note: loop vectorized integrate_kbppv3_ray.f:104:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3_new.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3_ray.f integrate_stress.F:416:0: note: loop vectorized integrate_stress.F:416:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:405:0: note: loop vectorized integrate_stress.F:405:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:391:0: note: loop vectorized integrate_stress.F:391:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:343:0: note: loop vectorized integrate_stress.F:343:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:337:0: note: loop vectorized integrate_stress.F:337:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:263:0: note: loop vectorized integrate_stress.F:263:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:256:0: note: loop vectorized integrate_stress.F:256:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:154:0: note: loop vectorized integrate_stress.F:154:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:146:0: note: loop vectorized integrate_stress.F:146:0: note: loop peeled for vectorization to enhance alignment integrate_stress.F:93:0: note: loop vectorized integrate_stress.F:93:0: note: loop versioned for vectorization because of possible aliasing integrate_stress.F:93:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_stress.F integrate_stress_new.F:95:0: note: loop vectorized integrate_stress_new.F:95:0: note: loop versioned for vectorization because of possible aliasing integrate_stress_new.F:95:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:185:0: note: loop vectorized integrate_stress_ray.F:185:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:178:0: note: loop vectorized integrate_stress_ray.F:178:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:169:0: note: loop vectorized integrate_stress_ray.F:169:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:159:0: note: loop vectorized integrate_stress_ray.F:159:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:153:0: note: loop vectorized integrate_stress_ray.F:153:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:140:0: note: loop vectorized integrate_stress_ray.F:140:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:133:0: note: loop vectorized integrate_stress_ray.F:133:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:119:0: note: loop vectorized integrate_stress_ray.F:119:0: note: loop peeled for vectorization to enhance alignment integrate_stress_ray.F:111:0: note: loop vectorized integrate_stress_ray.F:111:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_stress_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_stress_ray.F kbpp_orb.F:258:0: note: loop vectorized kbpp_orb.F:258:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG aorbs_formatter.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_orb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_orb.F integrate_kbpp_orb.F:222:0: note: loop vectorized integrate_kbpp_orb.F:222:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_orb.F:201:0: note: loop vectorized integrate_kbpp_orb.F:201:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_orb.F:180:0: note: loop vectorized integrate_kbpp_orb.F:180:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_orb.F:148:0: note: loop vectorized integrate_kbpp_orb.F:148:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_orb.F:101:0: note: loop vectorized integrate_kbpp_orb.F:101:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:481:0: note: loop vectorized integrate_pawppv1.F:481:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:471:0: note: loop vectorized integrate_pawppv1.F:471:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:452:0: note: loop vectorized integrate_pawppv1.F:452:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:438:0: note: loop vectorized integrate_pawppv1.F:438:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:430:0: note: loop vectorized integrate_pawppv1.F:430:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:412:0: note: loop vectorized integrate_pawppv1.F:412:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:398:0: note: loop vectorized integrate_pawppv1.F:398:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:352:0: note: loop vectorized integrate_pawppv1.F:352:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:341:0: note: loop vectorized integrate_pawppv1.F:341:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:291:0: note: loop vectorized integrate_pawppv1.F:291:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:278:0: note: loop vectorized integrate_pawppv1.F:278:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:259:0: note: loop vectorized integrate_pawppv1.F:259:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:248:0: note: loop vectorized integrate_pawppv1.F:248:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:184:0: note: loop vectorized integrate_pawppv1.F:184:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:173:0: note: loop vectorized integrate_pawppv1.F:173:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:147:0: note: loop vectorized integrate_pawppv1.F:147:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:141:0: note: loop vectorized integrate_pawppv1.F:141:0: note: loop peeled for vectorization to enhance alignment integrate_pawppv1.F:122:0: note: loop vectorized integrate_pawppv1.F:122:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_pawppv1.F integrate_paw_ray.F:224:0: note: loop vectorized integrate_paw_ray.F:224:0: note: loop peeled for vectorization to enhance alignment integrate_paw_ray.F:212:0: note: loop vectorized integrate_paw_ray.F:212:0: note: loop peeled for vectorization to enhance alignment integrate_paw_ray.F:169:0: note: loop vectorized integrate_paw_ray.F:169:0: note: loop peeled for vectorization to enhance alignment integrate_paw_ray.F:128:0: note: loop vectorized integrate_paw_ray.F:128:0: note: loop peeled for vectorization to enhance alignment integrate_paw_ray.F:96:0: note: loop vectorized integrate_paw_ray.F:96:0: note: loop peeled for vectorization to enhance alignment integrate_paw_ray.F:108:0: note: loop vectorized integrate_paw_ray.F:108:0: note: loop peeled for vectorization to enhance alignment integrate_paw_ray.F:119:0: note: loop vectorized integrate_paw_ray.F:119:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_paw_ray.F kbppv3d.F:587:0: note: loop vectorized kbppv3d.F:587:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:582:0: note: loop vectorized kbppv3d.F:582:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:577:0: note: loop vectorized kbppv3d.F:577:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:572:0: note: loop vectorized kbppv3d.F:572:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:567:0: note: loop vectorized kbppv3d.F:567:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:562:0: note: loop vectorized kbppv3d.F:562:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:543:0: note: loop vectorized kbppv3d.F:543:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:370:0: note: loop vectorized kbppv3d.F:370:0: note: loop versioned for vectorization because of possible aliasing kbppv3d.F:370:0: note: loop peeled for vectorization to enhance alignment kbppv3d.F:363:0: note: loop vectorized kbppv3d.F:363:0: note: loop versioned for vectorization because of possible aliasing kbppv3d.F:363:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbppv3d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbppv3d_stress.F integrate_kbppv3d.f:371:0: note: loop vectorized integrate_kbppv3d.f:371:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:357:0: note: loop vectorized integrate_kbppv3d.f:357:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:328:0: note: loop vectorized integrate_kbppv3d.f:328:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:308:0: note: loop vectorized integrate_kbppv3d.f:308:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:303:0: note: loop vectorized integrate_kbppv3d.f:303:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:273:0: note: loop vectorized integrate_kbppv3d.f:273:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:261:0: note: loop vectorized integrate_kbppv3d.f:261:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:246:0: note: loop vectorized integrate_kbppv3d.f:246:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:211:0: note: loop vectorized integrate_kbppv3d.f:211:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:156:0: note: loop vectorized integrate_kbppv3d.f:156:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:108:0: note: loop vectorized integrate_kbppv3d.f:108:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d.f:98:0: note: loop vectorized integrate_kbppv3d.f:98:0: note: loop versioned for vectorization because of possible aliasing integrate_kbppv3d.f:98:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3d.f integrate_d_stress.F:422:0: note: loop vectorized integrate_d_stress.F:422:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:411:0: note: loop vectorized integrate_d_stress.F:411:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:397:0: note: loop vectorized integrate_d_stress.F:397:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:349:0: note: loop vectorized integrate_d_stress.F:349:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:343:0: note: loop vectorized integrate_d_stress.F:343:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:269:0: note: loop vectorized integrate_d_stress.F:269:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:262:0: note: loop vectorized integrate_d_stress.F:262:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:161:0: note: loop vectorized integrate_d_stress.F:161:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:153:0: note: loop vectorized integrate_d_stress.F:153:0: note: loop peeled for vectorization to enhance alignment integrate_d_stress.F:98:0: note: loop vectorized integrate_d_stress.F:98:0: note: loop versioned for vectorization because of possible aliasing integrate_d_stress.F:98:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_d_stress.F integrate_kbppv3d_new.f:107:0: note: loop vectorized integrate_kbppv3d_new.f:107:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3d_new.f:97:0: note: loop vectorized integrate_kbppv3d_new.f:97:0: note: loop versioned for vectorization because of possible aliasing integrate_kbppv3d_new.f:97:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3d_new.f integrate_d_stress_new.F:97:0: note: loop vectorized integrate_d_stress_new.F:97:0: note: loop versioned for vectorization because of possible aliasing integrate_d_stress_new.F:97:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_d_stress_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbppv3e.F kbppv3e.F:352:0: note: loop vectorized kbppv3e.F:352:0: note: loop versioned for vectorization because of possible aliasing kbppv3e.F:352:0: note: loop peeled for vectorization to enhance alignment kbppv3e.F:345:0: note: loop vectorized kbppv3e.F:345:0: note: loop versioned for vectorization because of possible aliasing kbppv3e.F:345:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbppv3e_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3e.f integrate_kbppv3e.f:517:0: note: loop vectorized integrate_kbppv3e.f:387:0: note: loop vectorized integrate_kbppv3e.f:387:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:372:0: note: loop vectorized integrate_kbppv3e.f:372:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:343:0: note: loop vectorized integrate_kbppv3e.f:343:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:323:0: note: loop vectorized integrate_kbppv3e.f:323:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:318:0: note: loop vectorized integrate_kbppv3e.f:318:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:288:0: note: loop vectorized integrate_kbppv3e.f:288:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:275:0: note: loop vectorized integrate_kbppv3e.f:275:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:258:0: note: loop vectorized integrate_kbppv3e.f:258:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:233:0: note: loop vectorized integrate_kbppv3e.f:233:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:196:0: note: loop vectorized integrate_kbppv3e.f:196:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:134:0: note: loop vectorized integrate_kbppv3e.f:134:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:128:0: note: loop vectorized integrate_kbppv3e.f:128:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:110:0: note: loop vectorized integrate_kbppv3e.f:110:0: note: loop versioned for vectorization because of possible aliasing integrate_kbppv3e.f:110:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e.f:76:0: note: loop vectorized integrate_kbppv3e.f:76:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_new.f:490:0: note: loop vectorized integrate_kbppv3e_new.f:136:0: note: loop vectorized integrate_kbppv3e_new.f:136:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_new.f:130:0: note: loop vectorized integrate_kbppv3e_new.f:130:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_new.f:112:0: note: loop vectorized integrate_kbppv3e_new.f:112:0: note: loop versioned for vectorization because of possible aliasing integrate_kbppv3e_new.f:112:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_new.f:79:0: note: loop vectorized integrate_kbppv3e_new.f:79:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3e_new.f integrate_kbppv3e_ray.f:263:0: note: loop vectorized integrate_kbppv3e_ray.f:263:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:248:0: note: loop vectorized integrate_kbppv3e_ray.f:248:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:219:0: note: loop vectorized integrate_kbppv3e_ray.f:219:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:205:0: note: loop vectorized integrate_kbppv3e_ray.f:205:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:200:0: note: loop vectorized integrate_kbppv3e_ray.f:200:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:170:0: note: loop vectorized integrate_kbppv3e_ray.f:170:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:158:0: note: loop vectorized integrate_kbppv3e_ray.f:158:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:147:0: note: loop vectorized integrate_kbppv3e_ray.f:147:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:134:0: note: loop vectorized integrate_kbppv3e_ray.f:134:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:120:0: note: loop vectorized integrate_kbppv3e_ray.f:120:0: note: loop peeled for vectorization to enhance alignment integrate_kbppv3e_ray.f:71:0: note: loop vectorized integrate_kbppv3e_ray.f:71:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec integrate_kbppv3e_ray.f integrate_e_stress.F:443:0: note: loop vectorized integrate_e_stress.F:443:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:432:0: note: loop vectorized integrate_e_stress.F:432:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:417:0: note: loop vectorized integrate_e_stress.F:417:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:367:0: note: loop vectorized integrate_e_stress.F:367:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:361:0: note: loop vectorized integrate_e_stress.F:361:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:285:0: note: loop vectorized integrate_e_stress.F:285:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:278:0: note: loop vectorized integrate_e_stress.F:278:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:175:0: note: loop vectorized integrate_e_stress.F:175:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:167:0: note: loop vectorized integrate_e_stress.F:167:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:111:0: note: loop vectorized integrate_e_stress.F:111:0: note: loop versioned for vectorization because of possible aliasing integrate_e_stress.F:111:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress.F:79:0: note: loop vectorized integrate_e_stress.F:79:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_e_stress.F integrate_e_stress_new.F:111:0: note: loop vectorized integrate_e_stress_new.F:111:0: note: loop versioned for vectorization because of possible aliasing integrate_e_stress_new.F:111:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_new.F:83:0: note: loop vectorized integrate_e_stress_new.F:83:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_e_stress_new.F integrate_e_stress_ray.F:207:0: note: loop vectorized integrate_e_stress_ray.F:207:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:200:0: note: loop vectorized integrate_e_stress_ray.F:200:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:190:0: note: loop vectorized integrate_e_stress_ray.F:190:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:178:0: note: loop vectorized integrate_e_stress_ray.F:178:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:172:0: note: loop vectorized integrate_e_stress_ray.F:172:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:157:0: note: loop vectorized integrate_e_stress_ray.F:157:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:150:0: note: loop vectorized integrate_e_stress_ray.F:150:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:134:0: note: loop vectorized integrate_e_stress_ray.F:134:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:126:0: note: loop vectorized integrate_e_stress_ray.F:126:0: note: loop peeled for vectorization to enhance alignment integrate_e_stress_ray.F:67:0: note: loop vectorized integrate_e_stress_ray.F:67:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_e_stress_ray.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/kbpp' Making all in makepsi make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' wvfnc_init.F:247:0: note: loop vectorized wvfnc_init.F:238:0: note: loop vectorized wvfnc_init.F:247:0: note: loop vectorized wvfnc_init.F:238:0: note: loop vectorized wvfnc_init.F: In function 'wvfnc_init': wvfnc_init.F:135:0: warning: 'IMAGPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] dcpl_mb(cfull_indx+l1) = cc ^ wvfnc_init.F:36:0: note: 'IMAGPART_EXPR <cc>' was declared here double complex cc,cx,sx,zx ^ wvfnc_init.F:36:0: warning: 'REALPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] wvfnc_new.F: In function 'sub_wvfnc_new': wvfnc_new.F:213:0: warning: 'IMAGPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] dcpl_mb(cfull_indx+l1) = cc ^ wvfnc_new.F:114:0: warning: 'REALPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] double complex cc,cx,sx,zx,zc,rx,ry ^ make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_init_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_expander_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_expander.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_reformat.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_ionize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_adjust.F wvfnc_adjust.F: In function 'sub_wvfnc_adjust': wvfnc_adjust.F:213:0: warning: 'IMAGPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] dcpl_mb(cfull_indx+l2)=dconjg(cc) ^ wvfnc_adjust.F:119:0: warning: 'REALPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] double complex cc,cx,sx,zx,zc,rx,ry ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_convert_restricted.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_wvfnc_init_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_wvfnc_init.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_wvfnc_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_wannier_input.F pspw_wannier.F:307:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_wannier.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG silvestrelli_overlap.F silvestrelli_minimize.F:111:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG silvestrelli_minimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_wannier_old.F silvestrelli_minimize_old.F:192:0: note: loop vectorized silvestrelli_minimize_old.F:99:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG silvestrelli_overlap_old.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG silvestrelli_minimize_old.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG expand_cell.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wvfnc_expand_cell.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_reformat_c_wvfnc.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/makepsi' Making all in cpsd make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' cpmd_input.F:253:0: note: loop vectorized cpmd_input.F:253:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsd_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpmd_input.F cpsdv5.F:532:0: note: loop vectorized cpsdv5.F:532:0: note: loop peeled for vectorization to enhance alignment cpsdv5.F:706:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsdv5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpmdv5.F cpmdv5.F:533:0: note: loop vectorized cpmdv5.F:533:0: note: loop peeled for vectorization to enhance alignment cpmdv5.F:996:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mmsdv1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG inner_loop.F inner_loop.F:742:0: note: loop vectorized inner_loop.F:295:0: note: loop vectorized inner_loop.F:295:0: note: loop peeled for vectorization to enhance alignment inner_loop.F:307:0: note: loop vectorized inner_loop.F:307:0: note: loop peeled for vectorization to enhance alignment inner_loop_md.F:292:0: note: loop vectorized inner_loop_md.F:292:0: note: loop peeled for vectorization to enhance alignment inner_loop_md.F:304:0: note: loop vectorized inner_loop_md.F:304:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG inner_loop_md.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mm_loop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec psi_lmbda.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec psi_lmbda_sic.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec psi_lmbda_paw.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec psi_lmbda2.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec psi_lmbda3.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG fei_output.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG dipole_motion.F pspw_et.F:1461:0: note: loop vectorized pspw_et.F:1461:0: note: loop peeled for vectorization to enhance alignment pspw_et.F:1425:0: note: loop vectorized pspw_et.F:1425:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_et.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o fei_output.o dipole_motion.o pspw_et.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cpsd' Making all in cgsd make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgsd_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_noit_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_bq_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_stress.F cgsdv5.F: In function 'cgsdv5': cgsdv5.F:605:0: warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] > 3*nion,dbl_mb(fion(1))) ^ cgsdv5.F:62:0: note: 'nion' was declared here integer i,k,ia,nion,minimizer,mapping,mapping1d ^ cgsdv5.F:553:0: warning: 'evq' may be used uninitialized in this function [-Wmaybe-uninitialized] if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ ^ cgsdv5.F:60:0: note: 'evq' was declared here real*8 EV,EVQ,pi,rs ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgsdv5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgmontecarlov1.F cgmontecarlov1.F: In function 'cgmontecarlov1': cgmontecarlov1.F:756:0: warning: 'frac1[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] > dbl_mb(frac1(1))) ^ cgmontecarlov1.F:81:0: note: 'frac1[0]' was declared here integer vcount,geom1,frac1(2),nion1 ^ cgoptimize1.F: In function 'cgoptimize1': cgoptimize1.F:427:0: warning: 'opt_algorithm' may be used uninitialized in this function [-Wmaybe-uninitialized] if (opt_algorithm.eq.0) then ^ cgoptimize1.F:75:0: note: 'opt_algorithm' was declared here integer opt_algorithm ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgoptimize1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgmdv5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mmmdv1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgsd_noit_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgsd_energy.F cgsd_energy.F:287:0: note: basic block vectorized cgsd_energy.F:836:0: note: loop vectorized cgsd_energy.F:1063:0: note: loop vectorized cgsd_energy.F:1063:0: note: loop peeled for vectorization to enhance alignment cgsd_energy.F:1391:0: note: loop vectorized cgsd_energy.F:1391:0: note: loop peeled for vectorization to enhance alignment cgsd_energy.F:1335:0: note: loop vectorized cgsd_energy.F:1335:0: note: loop peeled for vectorization to enhance alignment cgsd_energy.F:1324:0: note: loop vectorized cgsd_energy.F:1324:0: note: loop peeled for vectorization to enhance alignment cgsd_energy.F:1314:0: note: loop vectorized cgsd_energy.F:1314:0: note: loop peeled for vectorization to enhance alignment cgsd_energy.F:1304:0: note: loop vectorized cgsd_energy.F:1304:0: note: loop peeled for vectorization to enhance alignment cgsd_energy.F:1294:0: note: loop vectorized cgsd_energy.F:1294:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgsd_excited.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgsd_oep_eigenvalues.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cgminimize2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bfgsminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bfgsminimize2.F bybminimize.F: In function 'bybminimize': bybminimize.F:218:0: warning: 'enew' may be used uninitialized in this function [-Wmaybe-uninitialized] deltae = Enew-Eold ^ bybminimize.F:45:0: note: 'enew' was declared here real*8 Enew,Eold,alpha ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bfgsminimize3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bybminimize.F bybminimize2.F: In function 'bybminimize2': bybminimize2.F:237:0: warning: 'enew' may be used uninitialized in this function [-Wmaybe-uninitialized] deltae = Enew-Eold ^ bybminimize2.F:46:0: note: 'enew' was declared here real*8 Enew,Eold,alpha ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bybminimize2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG sdminimize.F md_energy.F:277:0: note: loop vectorized kp_structure.F: In function 'kp_structure': kp_structure.F:122:0: warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] dist = dist + (kv(3)-kold(3))**2 ^ kp_structure.F:28:0: note: 'kold[2]' was declared here real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV ^ kp_structure.F:121:0: warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] dist = dist + (kv(2)-kold(2))**2 ^ kp_structure.F:28:0: note: 'kold[1]' was declared here real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV ^ kp_structure.F:120:0: warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] dist = (kv(1)-kold(1))**2 ^ kp_structure.F:28:0: note: 'kold[0]' was declared here real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG nominimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG md_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kp_structure.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cgsd' Making all in analysis make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' analysis.F:539:0: note: loop vectorized analysis.F:539:0: note: loop peeled for vectorization to enhance alignment analysis.F:455:0: note: loop vectorized analysis.F:455:0: note: loop versioned for vectorization because of possible aliasing analysis.F:455:0: note: loop peeled for vectorization to enhance alignment analysis.F:422:0: note: loop vectorized analysis.F:422:0: note: loop peeled for vectorization to enhance alignment analysis.F:415:0: note: loop vectorized analysis.F:415:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG analysis_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG analysis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG orb_pop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG orb_pop_kawai.F orb_pop_kawai.F:296:0: note: loop vectorized orb_pop_kawai.F:296:0: note: loop peeled for vectorization to enhance alignment orb_pop_kawai.F:289:0: note: loop vectorized orb_pop_kawai.F:289:0: note: loop peeled for vectorization to enhance alignment orb_pop_kawai.F:261:0: note: loop vectorized orb_pop_kawai.F:261:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:252:0: note: loop vectorized orb_pop_kawai.F:252:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:242:0: note: loop vectorized orb_pop_kawai.F:242:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:232:0: note: loop vectorized orb_pop_kawai.F:232:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:222:0: note: loop vectorized orb_pop_kawai.F:222:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:212:0: note: loop vectorized orb_pop_kawai.F:212:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:201:0: note: loop vectorized orb_pop_kawai.F:201:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:189:0: note: loop vectorized orb_pop_kawai.F:189:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:181:0: note: loop vectorized orb_pop_kawai.F:181:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:172:0: note: loop vectorized orb_pop_kawai.F:172:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:164:0: note: loop vectorized orb_pop_kawai.F:164:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:155:0: note: loop vectorized orb_pop_kawai.F:155:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:142:0: note: loop vectorized orb_pop_kawai.F:142:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:134:0: note: loop vectorized orb_pop_kawai.F:134:0: note: loop versioned for vectorization because of possible aliasing orb_pop_kawai.F:126:0: note: loop vectorized orb_pop_kawai.F:126:0: note: loop versioned for vectorization because of possible aliasing orb_pop_aorb.F:211:0: note: loop vectorized orb_pop_aorb.F:211:0: note: loop peeled for vectorization to enhance alignment orb_pop_aorb.F:204:0: note: loop vectorized orb_pop_aorb.F:204:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG orb_pop_aorb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG orb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_Lubin_water_analysis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_atom_analysis.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' Making all in APC make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' pspw_APC.F:405:0: note: loop vectorized pspw_APC.F:405:0: note: loop peeled for vectorization to enhance alignment pspw_APC.F:395:0: note: loop vectorized pspw_APC.F:395:0: note: loop peeled for vectorization to enhance alignment pspw_APC.F:583:0: note: loop vectorized pspw_APC.F:583:0: note: loop peeled for vectorization to enhance alignment pspw_Efield.F:158:0: note: loop vectorized pspw_Efield.F:158:0: note: loop versioned for vectorization because of possible aliasing make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_APC.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_Efield.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG util_diag_jacobi.F util_diag_jacobi.F:103:0: note: loop vectorized util_diag_jacobi.F:103:0: note: loop peeled for vectorization to enhance alignment util_diag_jacobi.F:93:0: note: loop vectorized util_diag_jacobi.F:93:0: note: loop versioned for vectorization because of possible aliasing util_diag_jacobi.F:93:0: note: loop peeled for vectorization to enhance alignment util_diag_jacobi.F:75:0: note: loop vectorized util_diag_jacobi.F:75:0: note: loop versioned for vectorization because of possible aliasing util_diag_jacobi.F:75:0: note: loop peeled for vectorization to enhance alignment util_diag_jacobi.F:41:0: note: loop vectorized util_diag_jacobi.F:31:0: note: loop vectorized util_diag_jacobi.F:31:0: note: loop peeled for vectorization to enhance alignment util_sorteps.F:17:0: note: loop vectorized util_sorteps.F:17:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG util_sorteps.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_Efield_grad.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a pspw_APC.o pspw_Efield.o util_diag_jacobi.o util_sorteps.o pspw_Efield_grad.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis/APC' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/analysis' Making all in cell_optimize make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cell_optimize_input.F cell_optimize_input.F:124:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cell_optimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG update_unitcell.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_stress_numerical.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_force_numerical.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG force_fd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG stress_fd.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/cell_optimize' Making all in qmmm make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' pspw_qmmm_input.F:150:0: note: basic block vectorized pspw_qmmm_input.F:529:0: note: basic block vectorized pspw_qmmm_input.F:150:0: note: basic block vectorized make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_qmmm_input.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_qmmm.F pspw_qmmm.F:284:0: note: loop vectorized pspw_qmmm.F:284:0: note: loop versioned for vectorization because of possible aliasing pspw_qmmm.F:284:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_2qmmm.F pspw_2qmmm.F:244:0: note: loop vectorized pspw_2qmmm.F:244:0: note: loop versioned for vectorization because of possible aliasing pspw_2qmmm.F:244:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_springs.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' Making all in pspw_LJ make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_LJ.F pspw_LJ.F:807:0: note: loop vectorized pspw_LJ.F:807:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:758:0: note: loop vectorized pspw_LJ.F:758:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:509:0: note: loop vectorized pspw_LJ.F:509:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:544:0: note: loop vectorized pspw_LJ.F:544:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:465:0: note: loop vectorized pspw_LJ.F:465:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:509:0: note: loop vectorized pspw_LJ.F:509:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:544:0: note: loop vectorized pspw_LJ.F:544:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:465:0: note: loop vectorized pspw_LJ.F:465:0: note: loop peeled for vectorization to enhance alignment pspw_LJ.F:465:0: note: loop vectorized pspw_LJ.F:465:0: note: loop peeled for vectorization to enhance alignment make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a pspw_LJ.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_LJ' Making all in pspw_Q make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_Q.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a pspw_Q.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Q' Making all in pspw_Pair make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_Pair.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a pspw_Pair.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/pspw_Pair' Making all in mmq make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG mmq.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a mmq.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm/mmq' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/qmmm' Making all in charge make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_charge.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a pspw_charge.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/charge' Making all in dplot make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' pspw_dplot_input.F:585:0: note: loop vectorized pspw_dplot_input.F:585:0: note: loop peeled for vectorization to enhance alignment pspw_dplot_input.F:510:0: note: basic block vectorized pspw_dplot_input.F:503:0: note: basic block vectorized pspw_dplot_input.F:503:0: note: basic block vectorized make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_dplot_input.F pspw_dplot.F:260.22: > dcpl_mb(psir(1))) 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) pspw_dplot.F:680.42: call pspw_add_core_dng(1.0d0,dbl_mb(rho(1))) 1 Warning: Type mismatch in argument 'dng' at (1); passed REAL(8) to COMPLEX(8) pspw_dplot.F:270.22: > dcpl_mb(psir(1)), 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) pspw_dplot.F:1974:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_dplot.F pspw_dplot.F:1690:0: note: loop vectorized pspw_dplot.F:430:0: note: loop vectorized pspw_dplot.F:430:0: note: loop peeled for vectorization to enhance alignment ELF.F:437:0: note: loop vectorized ELF.F:437:0: note: loop peeled for vectorization to enhance alignment ELF.F:433:0: note: loop vectorized ELF.F:428:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_dplot_iteration.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ELF.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Ursenbach_smoother.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/dplot' Making all in lcao make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_wvfnc.F lcao_wvfnc.F:387:0: note: loop vectorized lcao_wvfnc.F:387:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_write_matrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_generate_smatrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_generate_kematrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_generate_vlmatrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_generate_vnlmatrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_generate_vhxcmatrix.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_init_dn.F lcao_new_dn.F:57:0: note: loop vectorized lcao_new_dn.F:57:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_new_dn.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_make_psi.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcao_write_psi.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG lcaov1.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a lcao_wvfnc.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw/lcao' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a task_pspw.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpspw.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/pspw' Making all in paw make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_paw.F Making all in paw_geometry make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_geometry' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_geometry' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_geometry' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_geometry' Making all in paw_ma make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' Warning: Nonexistent include directory "../include/" make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_ma.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_ma.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ma' Making all in paw_utils Warning: Nonexistent include directory "../include/" make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate.F Warning: Nonexistent include directory "../include/" Warning: Nonexistent include directory "../include/" make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_utils.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG io_utils.F Warning: Nonexistent include directory "../include/" double_factorial.f: In function 'double_factorial': double_factorial.f:15:0: warning: '__result_double_factorial' may be used uninitialized in this function [-Wmaybe-uninitialized] end ^ double_factorial.f:1:0: note: '__result_double_factorial' was declared here double precision function double_factorial(n) ^ Warning: Nonexistent include directory "../include/" bessel_transform.F:147:0: note: loop vectorized bessel_transform.F:147:0: note: loop peeled for vectorization to enhance alignment bessel_transform.F:153:0: note: loop vectorized bessel_transform.F:153:0: note: loop peeled for vectorization to enhance alignment bessel_transform.F:159:0: note: loop vectorized bessel_transform.F:159:0: note: loop peeled for vectorization to enhance alignment bessel_transform.F:167:0: note: loop vectorized bessel_transform.F:167:0: note: loop peeled for vectorization to enhance alignment bessel_transform.F:176:0: note: loop vectorized bessel_transform.F:176:0: note: loop peeled for vectorization to enhance alignment bessel_transform.F:186:0: note: loop vectorized bessel_transform.F:186:0: note: loop peeled for vectorization to enhance alignment bessel_transform.F:197:0: note: loop vectorized bessel_transform.F:197:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chkerr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec double_factorial.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG bessel_transform.F bessel_transform.F:66:0: note: loop vectorized bessel_transform.F:66:0: note: loop versioned for vectorization because of possible aliasing bessel_transform.F:66:0: note: loop peeled for vectorization to enhance alignment Warning: Nonexistent include directory "../include/" ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_gauss_weights.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_spher_grid.F Warning: Nonexistent include directory "../include/" make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_utils' Making all in paw_basis make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' Warning: Nonexistent include directory "../include/" paw_basis.F:105:0: note: loop vectorized paw_basis.F:105:0: note: loop peeled for vectorization to enhance alignment Warning: Nonexistent include directory "../include/" make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_basis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_small_basis.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_basis_data.F Warning: Nonexistent include directory "../include/" paw_basis_data.F:95:0: note: loop vectorized paw_basis_data.F:95:0: note: loop versioned for vectorization because of possible aliasing paw_basis_data.F:95:0: note: loop peeled for vectorization to enhance alignment paw_basis_data.F:32:0: note: loop vectorized paw_basis_data.F:32:0: note: loop peeled for vectorization to enhance alignment paw_basis_data.F:1449:0: note: loop vectorized paw_basis_data.F:1449:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_basis' Making all in paw_proj make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' paw_proj.F:880:0: note: loop vectorized paw_proj.F:880:0: note: loop versioned for vectorization because of possible aliasing paw_proj.F:880:0: note: loop peeled for vectorization to enhance alignment paw_proj.F:931:0: note: loop vectorized paw_proj.F: In function 'paw_proj_formatter_auto': paw_proj.F:918:0: warning: 'IMAGPART_EXPR <coef>' may be used uninitialized in this function [-Wmaybe-uninitialized] complex*16 coef ^ paw_proj.F:918:0: warning: 'REALPART_EXPR <coef>' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_proj.F:880:0: note: loop vectorized paw_proj.F:880:0: note: loop peeled for vectorization to enhance alignment paw_proj.F:931:0: note: loop vectorized paw_proj.F: In function 'rayleigh_itol_scaling': paw_proj.F:918:0: warning: 'IMAGPART_EXPR <coef>' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_proj.F:918:0: warning: 'REALPART_EXPR <coef>' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_proj.F:125:0: note: loop vectorized paw_proj.F:125:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_proj.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_proj.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_proj' Making all in paw_matrix make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_comp_charge_matrix.F paw_comp_charge_matrix.F:164:0: note: loop vectorized paw_comp_charge_matrix.F:164:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_comp_charge_matrix.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_matrix' Making all in paw_ovlp make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_ovlp.F paw_ovlp.F:110:0: note: loop vectorized paw_ovlp.F:110:0: note: loop versioned for vectorization because of possible aliasing paw_ovlp.F:110:0: note: loop peeled for vectorization to enhance alignment paw_ovlp.F:294:0: note: loop vectorized paw_ovlp.F:305:0: note: basic block vectorized paw_ovlp.F:637:0: note: basic block vectorized paw_ovlp.F:659:0: note: basic block vectorized paw_ovlp.F:681:0: note: basic block vectorized paw_ovlp.F:703:0: note: basic block vectorized paw_overlap_matrix.F:443:0: note: loop vectorized paw_overlap_matrix.F:172:0: note: loop vectorized paw_overlap_matrix.F:172:0: note: loop peeled for vectorization to enhance alignment paw_overlap_matrix.F:172:0: note: loop vectorized paw_overlap_matrix.F:172:0: note: loop versioned for vectorization because of possible aliasing paw_overlap_matrix.F:172:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_overlap_matrix.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_ovlp.o paw_overlap_matrix.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ovlp' Making all in paw_comp_charge make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' paw_comp_charge.F:71:0: note: loop vectorized paw_comp_charge.F:71:0: note: loop versioned for vectorization because of possible aliasing paw_comp_charge.F:71:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_comp_charge.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_comp_charge.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_charge' Making all in paw_special_functions make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_spher_func.F paw_gamma_function.F:135.72: PAUSE 'a too large, ITMAX too small in gcf' 1 Warning: Deleted feature: PAUSE statement at (1) paw_gamma_function.F:28:0: note: loop vectorized paw_gamma_function.F:28:0: note: loop vectorized paw_gamma_function.F:28:0: note: loop vectorized paw_gamma_function.F:28:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_double_factorial.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_gamma_function.F paw_hypergeom1F1.F: In function 'paw_hypergeom1f1': paw_hypergeom1F1.F:12:0: warning: '__result_paw_hypergeom1f1' may be used uninitialized in this function [-Wmaybe-uninitialized] DOUBLE PRECISION FUNCTION PAW_HYPERGEOM1F1 (N, L, Z) ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_hypergeom1F1.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_special_functions' Making all in paw_gaunt make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_gaunt.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_gaunt.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_gaunt' Making all in paw_kinetic make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' Warning: Nonexistent include directory "../include/" Warning: Nonexistent include directory "../include/" paw_matrix_kin.F:157:0: note: loop vectorized paw_matrix_kin.F:157:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_energy_kin_atom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_matrix_kin.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_kinetic' Making all in paw_vloc make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' paw_matrix_vloc.F:150:0: note: loop vectorized paw_matrix_vloc.F:150:0: note: loop peeled for vectorization to enhance alignment paw_vloc.F:145:0: note: loop vectorized paw_vloc.F:249:0: note: loop vectorized make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_energy_vloc_atom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_matrix_vloc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_vloc.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_vloc' Making all in paw_ion_potential make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' Warning: Nonexistent include directory "../include/" Warning: Nonexistent include directory "../include/" paw_matrix_ion.F:144:0: note: loop vectorized paw_matrix_ion.F:144:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_energy_ion_atom.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_matrix_ion.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_ion_potential' Making all in paw_core make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_energy_core_atom.F Warning: Nonexistent include directory "../include/" paw_energy_core_atom.F:186:0: note: loop vectorized paw_energy_core_atom.F:186:0: note: loop versioned for vectorization because of possible aliasing paw_energy_core_atom.F:186:0: note: loop peeled for vectorization to enhance alignment Warning: Nonexistent include directory "../include/" paw_matrix_core.F:165:0: note: loop vectorized paw_matrix_core.F:165:0: note: loop versioned for vectorization because of possible aliasing paw_matrix_core.F:165:0: note: loop peeled for vectorization to enhance alignment paw_matrix_core.F:153:0: note: loop vectorized paw_matrix_core.F:153:0: note: loop versioned for vectorization because of possible aliasing paw_matrix_core.F:153:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_matrix_core.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_energy_core_atom.o paw_matrix_core.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_core' Making all in paw_hartree make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' Warning: Nonexistent include directory "../include/" make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_matrix_hartree.F paw_matrix_hartree.F:90:0: note: loop vectorized paw_matrix_hartree.F:90:0: note: loop versioned for vectorization because of possible aliasing paw_matrix_hartree.F:90:0: note: loop peeled for vectorization to enhance alignment paw_matrix_hartree.F:78:0: note: loop vectorized paw_matrix_hartree.F:78:0: note: loop versioned for vectorization because of possible aliasing paw_matrix_hartree.F:78:0: note: loop peeled for vectorization to enhance alignment Warning: Nonexistent include directory "../include/" Warning: Nonexistent include directory "../include/" ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_pot_hartree.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../include/ -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_energy_hartree_atom.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_hartree' Making all in paw_comp_pot make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_matrix_comp_pot.F paw_matrix_comp_pot.F:179:0: note: loop vectorized paw_matrix_comp_pot.F:179:0: note: loop peeled for vectorization to enhance alignment paw_matrix_comp_pot.F:169:0: note: loop vectorized paw_matrix_comp_pot.F:169:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_pot_comp.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_comp_pot' Making all in paw_mult make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' paw_mult.F:279:0: note: loop vectorized paw_mult.F:279:0: note: loop versioned for vectorization because of possible aliasing paw_mult.F:629:0: note: loop vectorized make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_mult.F paw_mult.F:853:0: note: loop vectorized paw_mult.F:853:0: note: loop versioned for vectorization because of possible aliasing paw_mult_interaction.F:489:0: note: basic block vectorized paw_mult_interaction.F:604:0: note: basic block vectorized paw_mult_interaction.F:624:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_mult_interaction.F paw_mult_energy.F:64:0: note: loop vectorized paw_mult_energy.F:193:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_mult_energy.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_mult' Making all in paw_nonlocal make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' paw_nonlocal.F:297:0: note: loop vectorized paw_nonlocal.F:297:0: note: loop versioned for vectorization because of possible aliasing paw_nonlocal.F:507:0: note: basic block vectorized paw_nonlocal.F:529:0: note: basic block vectorized make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_nonlocal.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_nonlocal.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_nonlocal' Making all in paw_density make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_density.F paw_density.F:559.40: call paw_density_gen_rho(ic,tmp_ms, 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:564.40: call paw_density_gen_rho(ic,tmp_ms, 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:720.41: call paw_density_gen_drho(ic,tmp_ms, 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:727.41: call paw_density_gen_drho(ic,tmp_ms, 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:774:0: note: loop vectorized paw_density.F:615:0: note: loop vectorized paw_density.F:615:0: note: loop vectorized paw_density.F:615:0: note: loop vectorized paw_density.F:774:0: note: loop vectorized paw_density.F:774:0: note: loop vectorized make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_density.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_density' Making all in paw_xc make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' paw_xc.F:1273.36: > rholm(1,1,ms), 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1313.36: > rholm_prime(1,1,ms), 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1326.21: > rholm(1,1,ms), 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1333.21: > rholm(1,1,ms), 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:667.32: > dcpl_mb(paw_xc_ylm(1)+i_ylm), 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:682.32: > dcpl_mb(paw_xc_ylm(1)+i_ylm1), 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:738.29: > dcpl_mb(paw_vxc_ae(1)), 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:812.29: > dcpl_mb(paw_dvxc_ae(1)), 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1386:0: note: loop vectorized paw_xc.F:1386:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1378:0: note: loop vectorized paw_xc.F:1378:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1407:0: note: loop vectorized paw_xc.F:1407:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1397:0: note: loop vectorized paw_xc.F:1397:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1445:0: note: loop vectorized paw_xc.F:1445:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1454:0: note: loop vectorized paw_xc.F:1454:0: note: loop versioned for vectorization because of possible aliasing paw_xc.F:1454:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_xc.F paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1027:0: note: loop vectorized paw_xc.F:1027:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1027:0: note: loop vectorized paw_xc.F:1027:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1632:0: note: loop vectorized paw_xc.F:1605:0: note: loop vectorized paw_xc.F:1567:0: note: loop vectorized paw_xc.F:1229:0: note: loop vectorized paw_xc.F:1184:0: note: loop vectorized paw_xc.F:1173:0: note: loop vectorized paw_xc.F:1515:0: note: loop vectorized paw_xc.F:1502:0: note: loop vectorized paw_xc.F:1445:0: note: loop vectorized paw_xc.F:1445:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1454:0: note: loop vectorized paw_xc.F:1454:0: note: loop versioned for vectorization because of possible aliasing paw_xc.F:1454:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1386:0: note: loop vectorized paw_xc.F:1386:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1378:0: note: loop vectorized paw_xc.F:1378:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1407:0: note: loop vectorized paw_xc.F:1407:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1397:0: note: loop vectorized paw_xc.F:1397:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1027:0: note: loop vectorized paw_xc.F:1027:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1027:0: note: loop vectorized paw_xc.F:1027:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1027:0: note: loop vectorized paw_xc.F:1027:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1005:0: note: loop vectorized paw_xc.F:1005:0: note: loop vectorized paw_xc.F:696:0: note: loop vectorized paw_xc.F:696:0: note: loop versioned for vectorization because of possible aliasing paw_xc.F:696:0: note: loop peeled for vectorization to enhance alignment paw_xc.F:1184:0: note: loop vectorized paw_xc.F:1184:0: note: loop versioned for vectorization because of possible aliasing paw_xc.F:1173:0: note: loop vectorized paw_xc.F:1173:0: note: loop versioned for vectorization because of possible aliasing paw_xc.F:1515:0: note: loop vectorized paw_xc.F:1515:0: note: loop versioned for vectorization because of possible aliasing paw_xc.F:1502:0: note: loop vectorized paw_xc.F:1502:0: note: loop versioned for vectorization because of possible aliasing paw_xc.F:962:0: note: loop vectorized paw_xc.F:962:0: note: loop peeled for vectorization to enhance alignment paw_vosko.F:85:0: note: loop vectorized paw_vosko.F:85:0: note: loop versioned for vectorization because of possible aliasing paw_vosko.F:85:0: note: loop peeled for vectorization to enhance alignment paw_vosko.F:102:0: note: loop vectorized paw_vosko.F:102:0: note: loop peeled for vectorization to enhance alignment paw_vosko.F:77:0: note: loop vectorized paw_vosko.F:77:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_vosko.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_dirac_x.F paw_gga.F:52:0: note: loop vectorized paw_gga.F:52:0: note: loop peeled for vectorization to enhance alignment paw_gga.F:33:0: note: loop vectorized paw_gga.F:33:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_gga.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_xc' Making all in paw_force make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' paw_force.F:183:0: note: loop vectorized paw_force.F:183:0: note: loop versioned for vectorization because of possible aliasing make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_force.F paw_force.F:640:0: note: loop vectorized make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_force.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_force' Making all in paw_Grsm_list make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_Grsm_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_lmbfgs.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_Grsm_list.o paw_lmbfgs.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_Grsm_list' Making all in paw_psi make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' paw_psi.F:408:0: note: loop vectorized paw_psi.F:408:0: note: loop peeled for vectorization to enhance alignment make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_psi.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_psi2.F paw_psi2.F: In function 'paw_psi_ks_update_orb': paw_psi2.F:189:0: warning: 'lmbda_r0' may be used uninitialized in this function [-Wmaybe-uninitialized] > dcpl_mb(t(1))) ^ paw_psi2.F: In function 'paw_psi_ks_update': paw_psi2.F:189:0: warning: 'lmbda_r0' may be used uninitialized in this function [-Wmaybe-uninitialized] paw_psi2.F:115:0: note: 'lmbda_r0' was declared here real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 ^ paw_psi2.F:1257:0: note: loop vectorized paw_psi2.F:1257:0: note: loop peeled for vectorization to enhance alignment paw_psi2.F:1323:0: note: loop vectorized paw_psi2.F:1323:0: note: loop peeled for vectorization to enhance alignment paw_psi2.F:2579:0: note: loop vectorized paw_psi2.F:2579:0: note: loop versioned for vectorization because of possible aliasing paw_psi2.F:2581:0: note: basic block vectorized paw_psi2.F:2636:0: note: loop vectorized paw_psi2.F:2636:0: note: loop versioned for vectorization because of possible aliasing paw_psi2.F:2636:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_psi_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_psi_H.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_electron.F paw_electron.F:1321:0: note: loop vectorized paw_electron.F:1321:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_geodesic.F paw_geodesic.F:224:0: note: loop vectorized paw_geodesic.F:224:0: note: loop peeled for vectorization to enhance alignment paw_geodesic.F:701:0: note: loop vectorized paw_geodesic.F:701:0: note: loop versioned for vectorization because of possible aliasing paw_geodesic.F:701:0: note: loop peeled for vectorization to enhance alignment paw_geodesic.F:692:0: note: loop vectorized paw_geodesic.F:692:0: note: loop peeled for vectorization to enhance alignment make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/paw_psi' Making all in cpsd make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_sd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_cpmd.F paw_cpmd.F: In function 'paw_cpmd': paw_cpmd.F:200:0: warning: 'icount_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] integer icount,it_in,it_out,icount_shift ^ paw_inner_loop.F:788:0: note: loop vectorized paw_inner_loop.F:665:0: note: loop vectorized paw_inner_loop.F:330:0: note: loop vectorized paw_inner_loop.F:330:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_inner_loop.F paw_inner_loop_md.F:712:0: note: loop vectorized paw_inner_loop_md.F:334:0: note: loop vectorized paw_inner_loop_md.F:334:0: note: loop peeled for vectorization to enhance alignment paw_inner_loop_md.F: In function 'paw_inner_loop_md': paw_inner_loop_md.F:128:0: warning: 'sa2' may be used uninitialized in this function [-Wmaybe-uninitialized] real*8 eke,eki,sse,ssr,sa1,sa2 ^ paw_inner_loop_md.F:604:0: warning: 'sa1' may be used uninitialized in this function [-Wmaybe-uninitialized] call Pack_c_SMul(1,dte*sa1,Hpsi(1,n),psi2(1,n)) ^ paw_inner_loop_md.F:128:0: note: 'sa1' was declared here real*8 eke,eki,sse,ssr,sa1,sa2 ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_inner_loop_md.F psi_marat_write.F:80:0: note: loop vectorized psi_marat_write.F:80:0: note: loop peeled for vectorization to enhance alignment psi_marat_write.F:76:0: note: loop vectorized psi_marat_write.F:76:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG psi_marat_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_output.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cpsd' Making all in cgsd make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_noit_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_gradient.F paw_minimizer.F: In function 'paw_minimizer': paw_minimizer.F:505:0: warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] > 3*nion,dbl_mb(fion(1))) ^ paw_minimizer.F:64:0: note: 'nion' was declared here integer i,k,ia,nion,minimizer,mapping,lmax,mapping1d ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_minimizer.F paw_cgsd_energy.F:366:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_cgsd_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_cgminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_bfgsminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_nominimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_sdminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_cgsd_noit_energy.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cgsd' Making all in cell_optimize make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_stress_numerical.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_stress_fd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_cell_optimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG paw_update_unitcell.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw/cell_optimize' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a task_paw.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpaw.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/paw' Making all in band make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_input.F make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_band.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_noit_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_stress.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' Making all in minimizer make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_minimizer.F band_minimizer.F: In function 'band_minimizer': band_minimizer.F:577:0: warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] > 3*nion,dbl_mb(fion(1))) ^ band_minimizer.F:61:0: note: 'nion' was declared here integer i,k,ia,nion,vers,nbrillioun,nb,ms ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_cgsd_energy.F c_cgsd_energy_gradient.F:59:0: note: loop vectorized c_cgsd_energy_stress.F:108:0: note: loop vectorized c_cgsd_energy_stress.F:108:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_cgsd_noit_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_cgsd_energy_gradient.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_cgsd_energy_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_cgsd_excited.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_cgminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_bfgsminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_bybminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_bybminimize2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_sdminimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_nominimize.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_bfgsminimize.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/minimizer' Making all in structure make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' band_structure.F:2200:0: note: basic block vectorized band_structure.F:2286:0: note: basic block vectorized band_structure.F:2316:0: note: basic block vectorized band_structure.F:2346:0: note: basic block vectorized band_structure.F:2376:0: note: basic block vectorized band_structure.F:1355:0: note: basic block vectorized band_structure.F:1463:0: note: basic block vectorized band_structure.F:1493:0: note: basic block vectorized band_structure.F:1523:0: note: basic block vectorized band_structure.F:1553:0: note: basic block vectorized make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_structure.F band_structure.F:1844:0: note: basic block vectorized band_structure.F:1929:0: note: basic block vectorized band_structure.F:1959:0: note: basic block vectorized band_structure.F:1989:0: note: basic block vectorized band_structure.F:2019:0: note: basic block vectorized band_structure.F: In function 'band_structure': band_structure.F:695:0: warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) ^ band_structure.F:60:0: note: 'kold[2]' was declared here real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut ^ band_structure.F:695:0: warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) ^ band_structure.F:60:0: note: 'kold[1]' was declared here real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut ^ band_structure.F:695:0: warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) ^ band_structure.F:60:0: note: 'kold[0]' was declared here real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut ^ band_interpolate_structure.F: In function 'band_interpolate_structure': band_interpolate_structure.F:231:0: warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] dist = dist + (kv(3)-kold(3))**2 ^ band_interpolate_structure.F:22:0: note: 'kold[2]' was declared here real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV ^ band_interpolate_structure.F:230:0: warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] dist = dist + (kv(2)-kold(2))**2 ^ band_interpolate_structure.F:22:0: note: 'kold[1]' was declared here real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV ^ band_interpolate_structure.F:229:0: warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] dist = (kv(1)-kold(1))**2 ^ band_interpolate_structure.F:22:0: note: 'kold[0]' was declared here real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV ^ band_kp_structure.F: In function 'band_kp_structure': band_kp_structure.F:192:0: warning: 'kold[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] dist = dist + (kv(3)-kold(3))**2 ^ band_kp_structure.F:23:0: note: 'kold[2]' was declared here real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV ^ band_kp_structure.F:191:0: warning: 'kold[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] dist = dist + (kv(2)-kold(2))**2 ^ band_kp_structure.F:23:0: note: 'kold[1]' was declared here real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV ^ band_kp_structure.F:190:0: warning: 'kold[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] dist = (kv(1)-kold(1))**2 ^ band_kp_structure.F:23:0: note: 'kold[0]' was declared here real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_interpolate_structure.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_kp_structure.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/structure' Making all in cpsd make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_sd.F band_cpmd.F: In function 'band_cpmd': band_cpmd.F:89:0: warning: 'icount_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] integer icount,it_in,it_out,icount_shift ^ band_cpmd.F:1049:0: warning: 'dt' may be used uninitialized in this function [-Wmaybe-uninitialized] call print_elapsed_time(icount*it_in*dt) ^ band_cpmd.F:85:0: note: 'dt' was declared here real*8 EV,pi,dt,a,b,c,alpha,beta,gamma ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_cpmd.F band_inner_loop.F:356.35: > dbl_mb(psi1_shift), 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_inner_loop.F band_inner_loop_md.F:421.35: > dbl_mb(psi0_shift), 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:437.35: > dbl_mb(psi0_shift), 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:462.35: > dbl_mb(psi0_shift), 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F: In function 'band_inner_loop_md': band_inner_loop_md.F:50:0: warning: 'sa2' may be used uninitialized in this function [-Wmaybe-uninitialized] real*8 deltamm,weight,sa1,sa2,fmass,ssr,sse,r,s,h ^ band_inner_loop_md.F:781:0: warning: 'sa1' may be used uninitialized in this function [-Wmaybe-uninitialized] call Cram_c_SMul(nb,sa1*dte,Hpsi(1,n),psi2(1,n)) ^ band_inner_loop_md.F:50:0: note: 'sa1' was declared here real*8 deltamm,weight,sa1,sa2,fmass,ssr,sse,r,s,h ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_inner_loop_md.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cpsd' Making all in cell_optimize make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_stress_numerical.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_stress_fd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_cell_optimize.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_update_unitcell.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/cell_optimize' Making all in kbpp make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsp_formatter_auto.F kbpp_band.F:312:0: note: loop vectorized kbpp_band.F:312:0: note: loop versioned for vectorization because of possible aliasing kbpp_band.F:312:0: note: loop peeled for vectorization to enhance alignment kbpp_band.F:305:0: note: loop vectorized kbpp_band.F:305:0: note: loop versioned for vectorization because of possible aliasing kbpp_band.F:305:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG borbs_formatter.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_band.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_band_orb.F integrate_kbpp_band_local.F:165:0: note: loop vectorized integrate_kbpp_band_local.F:165:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local.F:158:0: note: loop vectorized integrate_kbpp_band_local.F:158:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local.F:141:0: note: loop vectorized integrate_kbpp_band_local.F:141:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local.F:136:0: note: loop vectorized integrate_kbpp_band_local.F:136:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local.F:128:0: note: loop vectorized integrate_kbpp_band_local.F:128:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local.F:90:0: note: loop vectorized integrate_kbpp_band_local.F:90:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local.F:80:0: note: loop vectorized integrate_kbpp_band_local.F:80:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_band_local.F:80:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec setup_kbpp_band.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_local.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_nonlocal.F integrate_kbpp_band_nonlocal.F:179:0: note: loop vectorized integrate_kbpp_band_nonlocal.F:179:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_nonlocal.F:164:0: note: loop vectorized integrate_kbpp_band_nonlocal.F:164:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_nonlocal.F:140:0: note: loop vectorized integrate_kbpp_band_nonlocal.F:140:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_nonlocal.F:106:0: note: loop vectorized integrate_kbpp_band_nonlocal.F:106:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_nonlocal.F:196:0: note: loop vectorized integrate_kbpp_band_nonlocal.F:196:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_orb.F:208:0: note: loop vectorized integrate_kbpp_band_orb.F:208:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_orb.F:187:0: note: loop vectorized integrate_kbpp_band_orb.F:187:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_orb.F:154:0: note: loop vectorized integrate_kbpp_band_orb.F:154:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_orb.F:107:0: note: loop vectorized integrate_kbpp_band_orb.F:107:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_orb.F:225:0: note: loop vectorized integrate_kbpp_band_orb.F:225:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_orb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_band_ray.F kbpp_band_ray.F:23:0: note: loop vectorized kbpp_band_ray.F:23:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:177:0: note: loop vectorized integrate_kbpp_band_ray.F:177:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:165:0: note: loop vectorized integrate_kbpp_band_ray.F:165:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:158:0: note: loop vectorized integrate_kbpp_band_ray.F:158:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:145:0: note: loop vectorized integrate_kbpp_band_ray.F:145:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:140:0: note: loop vectorized integrate_kbpp_band_ray.F:140:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:133:0: note: loop vectorized integrate_kbpp_band_ray.F:133:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:124:0: note: loop vectorized integrate_kbpp_band_ray.F:124:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:115:0: note: loop vectorized integrate_kbpp_band_ray.F:115:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:104:0: note: loop vectorized integrate_kbpp_band_ray.F:104:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_ray.F:92:0: note: loop vectorized integrate_kbpp_band_ray.F:92:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local_new.F:92:0: note: loop vectorized integrate_kbpp_band_local_new.F:92:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_local_new.F:82:0: note: loop vectorized integrate_kbpp_band_local_new.F:82:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_band_local_new.F:82:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_ray.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_local_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_nonlocal_new.F integrate_kbpp_band_stress_local.F:115:0: note: loop vectorized integrate_kbpp_band_stress_local.F:115:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_local.F:104:0: note: loop vectorized integrate_kbpp_band_stress_local.F:104:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_local.F:74:0: note: loop vectorized integrate_kbpp_band_stress_local.F:74:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_band_stress_local.F:74:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsp_stress_formatter_auto.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_band_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_stress_local.F integrate_kbpp_band_stress_nonlocal.F:373:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:373:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_nonlocal.F:323:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:323:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_nonlocal.F:317:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:317:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_nonlocal.F:242:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:242:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_nonlocal.F:235:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:235:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_nonlocal.F:134:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:134:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_nonlocal.F:126:0: note: loop vectorized integrate_kbpp_band_stress_nonlocal.F:126:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_stress_nonlocal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_stress_ray.F integrate_kbpp_band_stress_ray.F:178:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:178:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:171:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:171:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:162:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:162:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:152:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:152:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:146:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:146:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:133:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:133:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:126:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:126:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:112:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:112:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_ray.F:104:0: note: loop vectorized integrate_kbpp_band_stress_ray.F:104:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_band_stress_local_new.F:83:0: note: loop vectorized integrate_kbpp_band_stress_local_new.F:83:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_band_stress_local_new.F:83:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_stress_local_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_band_stress_nonlocal_new.F Spherical_band.F:110:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG HGH_band_local.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG HGH_band_nonlocal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Tesseral_band.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG Spherical_band.F hghpp_band.F:464:0: note: loop vectorized hghpp_band.F:464:0: note: loop versioned for vectorization because of possible aliasing hghpp_band.F:423:0: note: loop vectorized hghpp_band.F:423:0: note: loop versioned for vectorization because of possible aliasing hghpp_band.F:423:0: note: loop peeled for vectorization to enhance alignment hghpp_band.F:274:0: note: loop vectorized hghpp_band.F:274:0: note: loop versioned for vectorization because of possible aliasing hghpp_band.F:274:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F: In function 'sjx': rkbpp_band.F:774:0: warning: '__result_sjx' may be used uninitialized in this function [-Wmaybe-uninitialized] real*8 function sjx(x,l,cosx,sinx) ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG hghpp_band.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG rkbpp_band.F rkbpp_band.F:695:0: note: loop vectorized rkbpp_band.F:695:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:622:0: note: loop vectorized rkbpp_band.F:622:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:617:0: note: loop vectorized rkbpp_band.F:617:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:604:0: note: loop vectorized rkbpp_band.F:604:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:600:0: note: loop vectorized rkbpp_band.F:600:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:555:0: note: loop vectorized rkbpp_band.F:555:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:566:0: note: loop vectorized rkbpp_band.F:566:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:539:0: note: loop vectorized rkbpp_band.F:539:0: note: loop versioned for vectorization because of possible aliasing rkbpp_band.F:539:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:283:0: note: loop vectorized rkbpp_band.F:283:0: note: loop versioned for vectorization because of possible aliasing rkbpp_band.F:283:0: note: loop peeled for vectorization to enhance alignment rkbpp_band.F:276:0: note: loop vectorized rkbpp_band.F:276:0: note: loop versioned for vectorization because of possible aliasing rkbpp_band.F:276:0: note: loop peeled for vectorization to enhance alignment kbpp_e_band.F:333:0: note: loop vectorized kbpp_e_band.F:333:0: note: loop versioned for vectorization because of possible aliasing kbpp_e_band.F:333:0: note: loop peeled for vectorization to enhance alignment kbpp_e_band.F:326:0: note: loop vectorized kbpp_e_band.F:326:0: note: loop versioned for vectorization because of possible aliasing kbpp_e_band.F:326:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_e_band.F integrate_kbpp_e_band_nonlocal.F:202:0: note: loop vectorized integrate_kbpp_e_band_nonlocal.F:202:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_nonlocal.F:185:0: note: loop vectorized integrate_kbpp_e_band_nonlocal.F:185:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_nonlocal.F:161:0: note: loop vectorized integrate_kbpp_e_band_nonlocal.F:161:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_nonlocal.F:123:0: note: loop vectorized integrate_kbpp_e_band_nonlocal.F:123:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_nonlocal.F:222:0: note: loop vectorized integrate_kbpp_e_band_nonlocal.F:222:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_nonlocal.F:57:0: note: loop vectorized integrate_kbpp_e_band_nonlocal.F:57:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_nonlocal.F integrate_kbpp_e_band_nonlocal_new.F:57:0: note: loop vectorized integrate_kbpp_e_band_nonlocal_new.F:57:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:319:0: note: loop vectorized integrate_kbpp_e_band_local.F:319:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:207:0: note: loop vectorized integrate_kbpp_e_band_local.F:207:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:200:0: note: loop vectorized integrate_kbpp_e_band_local.F:200:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:183:0: note: loop vectorized integrate_kbpp_e_band_local.F:183:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:178:0: note: loop vectorized integrate_kbpp_e_band_local.F:178:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:170:0: note: loop vectorized integrate_kbpp_e_band_local.F:170:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:118:0: note: loop vectorized integrate_kbpp_e_band_local.F:118:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:112:0: note: loop vectorized integrate_kbpp_e_band_local.F:112:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:94:0: note: loop vectorized integrate_kbpp_e_band_local.F:94:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_e_band_local.F:94:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local.F:66:0: note: loop vectorized integrate_kbpp_e_band_local.F:66:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_nonlocal_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_local.F integrate_kbpp_e_band_local_new.F:367:0: note: loop vectorized integrate_kbpp_e_band_local_new.F:367:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local_new.F:120:0: note: loop vectorized integrate_kbpp_e_band_local_new.F:120:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local_new.F:114:0: note: loop vectorized integrate_kbpp_e_band_local_new.F:114:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local_new.F:96:0: note: loop vectorized integrate_kbpp_e_band_local_new.F:96:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_e_band_local_new.F:96:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_local_new.F:74:0: note: loop vectorized integrate_kbpp_e_band_local_new.F:74:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_local_new.F integrate_kbpp_e_band_ray.F:201:0: note: loop vectorized integrate_kbpp_e_band_ray.F:201:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:186:0: note: loop vectorized integrate_kbpp_e_band_ray.F:186:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:179:0: note: loop vectorized integrate_kbpp_e_band_ray.F:179:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:166:0: note: loop vectorized integrate_kbpp_e_band_ray.F:166:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:161:0: note: loop vectorized integrate_kbpp_e_band_ray.F:161:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:154:0: note: loop vectorized integrate_kbpp_e_band_ray.F:154:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:144:0: note: loop vectorized integrate_kbpp_e_band_ray.F:144:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:133:0: note: loop vectorized integrate_kbpp_e_band_ray.F:133:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:120:0: note: loop vectorized integrate_kbpp_e_band_ray.F:120:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:106:0: note: loop vectorized integrate_kbpp_e_band_ray.F:106:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_ray.F:58:0: note: loop vectorized integrate_kbpp_e_band_ray.F:58:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_ray.F integrate_kbpp_e_band_stress_local.F:117:0: note: loop vectorized integrate_kbpp_e_band_stress_local.F:117:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_local.F:106:0: note: loop vectorized integrate_kbpp_e_band_stress_local.F:106:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_local.F:76:0: note: loop vectorized integrate_kbpp_e_band_stress_local.F:76:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_e_band_stress_local.F:76:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG kbpp_e_band_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_stress_local.F integrate_kbpp_e_band_stress_local_new.F:97:0: note: loop vectorized integrate_kbpp_e_band_stress_local_new.F:97:0: note: loop versioned for vectorization because of possible aliasing integrate_kbpp_e_band_stress_local_new.F:97:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_local_new.F:73:0: note: loop vectorized integrate_kbpp_e_band_stress_local_new.F:73:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_stress_local_new.F integrate_kbpp_e_band_stress_ray.F:199:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:199:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:192:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:192:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:182:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:182:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:170:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:170:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:164:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:164:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:149:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:149:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:142:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:142:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:126:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:126:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:118:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:118:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_ray.F:65:0: note: loop vectorized integrate_kbpp_e_band_stress_ray.F:65:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_stress_ray.F integrate_kbpp_e_band_stress_nonlocal.F:392:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:392:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_nonlocal.F:340:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:340:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_nonlocal.F:334:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:334:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_nonlocal.F:257:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:257:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_nonlocal.F:250:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:250:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_nonlocal.F:147:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:147:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_nonlocal.F:139:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:139:0: note: loop peeled for vectorization to enhance alignment integrate_kbpp_e_band_stress_nonlocal.F:65:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal.F:65:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_stress_nonlocal.F integrate_kbpp_e_band_stress_nonlocal_new.F:71:0: note: loop vectorized integrate_kbpp_e_band_stress_nonlocal_new.F:71:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG integrate_kbpp_e_band_stress_nonlocal_new.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp' Making all in makepsi make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' c_wvfnc_new.F:345:0: note: loop vectorized c_wvfnc_new.F:345:0: note: loop vectorized c_wvfnc_new.F: In function 'sub_c_wvfnc_new': c_wvfnc_new.F:133:0: warning: 'IMAGPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] double complex cc,cx,sx,zx,zc ^ c_wvfnc_new.F:133:0: warning: 'REALPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized] c_wvfnc_new.F:345:0: note: loop vectorized make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_wvfnc_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_wvfnc_expander.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_v_wvfnc_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG pspw_reformat_c_wvfnc.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi' Making all in lib make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib' Making all in cpsp make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsp.F cpsp.F:339:0: note: loop vectorized cpsp.F:339:0: note: loop peeled for vectorization to enhance alignment cpsp.F:339:0: note: loop vectorized cpsp.F:339:0: note: loop peeled for vectorization to enhance alignment cpsp.F:491:0: note: loop vectorized cpsp.F:592:0: note: loop vectorized cpsp.F: In function 'cpsp_v_nonlocal': cpsp.F:642:0: warning: 'occ1_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] integer occ_tag,occ_shift,occ1_shift ^ cpsp.F:638:0: warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] integer nfft3d,G(3),npack1,npack ^ cpsp.F:638:0: warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp.F:638:0: warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp.F: In function 'cpsp_f_vnonlocal': cpsp.F:1228:0: warning: 'occ1_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] integer occ1_tag,occ1_shift,occ_shift ^ cpsp.F:339:0: note: loop vectorized cpsp.F:339:0: note: loop peeled for vectorization to enhance alignment cpsp_relativistic.F:585:0: note: loop vectorized cpsp_relativistic.F: In function 'cpsp_v_spin_orbit': cpsp_relativistic.F:383:0: warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized] integer nfft3d,G(3),npack1,npack ^ cpsp_relativistic.F:383:0: warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp_relativistic.F:383:0: warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized] cpsp_relativistic.F:1143:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsp_relativistic.F cpsp_projector.F:46:0: note: loop vectorized cpsp_projector.F:46:0: note: loop peeled for vectorization to enhance alignment cpsp_stress.F:216:0: note: loop vectorized cpsp_stress.F: In function 'cpsp_v_nonlocal_euv_2': cpsp_stress.F:249:0: warning: 'occ1_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsp_projector.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsp_stress.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_semicore.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_semicore_force.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp' Making all in ke make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' cke.F:53:0: note: loop vectorized cke.F:53:0: note: loop versioned for vectorization because of possible aliasing cke.F:53:0: note: loop peeled for vectorization to enhance alignment make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cke.F cke.F:390:0: note: loop vectorized cke.F:390:0: note: loop versioned for vectorization because of possible aliasing cke.F:390:0: note: loop peeled for vectorization to enhance alignment make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a cke.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke' Making all in coulomb make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_coulomb.F c_coulomb.F:59:0: note: loop vectorized c_coulomb.F:59:0: note: loop versioned for vectorization because of possible aliasing c_coulomb.F:59:0: note: loop peeled for vectorization to enhance alignment c_coulomb.F:59:0: note: loop vectorized c_coulomb.F:59:0: note: loop versioned for vectorization because of possible aliasing c_coulomb.F:59:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_coulomb_screened.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a c_coulomb.o c_coulomb_screened.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb' Making all in electron make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' c_electron.F:320.33: > dbl_mb(psi1_shift), 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_electron.F c_electron.F:847:0: note: loop vectorized c_electron.F:847:0: note: loop peeled for vectorization to enhance alignment c_electron.F:847:0: note: loop vectorized c_electron.F:847:0: note: loop versioned for vectorization because of possible aliasing c_electron.F:847:0: note: loop peeled for vectorization to enhance alignment cpsi_H.F: In function 'cpsi_h': cpsi_H.F:148:0: warning: 'hpsir_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] if (dohfx) Hpsir_shift = Hpsir_shift + nshift1 ^ cpsi_H.F:33:0: note: 'hpsir_shift' was declared here integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2 ^ ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_H.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a c_electron.o cpsi_H.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron' Making all in psi make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi.F cpsi.F:1019:0: note: loop vectorized cpsi.F:1019:0: note: loop peeled for vectorization to enhance alignment cpsi.F:1760:0: note: loop vectorized cpsi.F:1760:0: note: loop versioned for vectorization because of possible aliasing cpsi.F:1760:0: note: loop peeled for vectorization to enhance alignment cpsi.F:2914:0: note: loop vectorized cpsi.F:2914:0: note: loop versioned for vectorization because of possible aliasing cpsi.F:2914:0: note: loop peeled for vectorization to enhance alignment cpsi_KS.F:1279.19: > dbl_mb(psi1_shift+(i-1)*nshift)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:281.45: call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1385.19: > dbl_mb(psi_ptr)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:370.45: call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2333.46: call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr)) 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_geodesic.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_lmbda.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_KS.F cpsi_KS.F:1557:0: note: basic block vectorized BGrsm.F:254:0: note: loop vectorized BGrsm.F:254:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:180:0: note: loop vectorized BGrsm.F:180:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:161:0: note: loop vectorized BGrsm.F:161:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:180:0: note: loop vectorized BGrsm.F:180:0: note: loop versioned for vectorization because of possible aliasing BGrsm.F:180:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:236:0: note: loop vectorized BGrsm.F:236:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:254:0: note: loop vectorized BGrsm.F:254:0: note: loop versioned for vectorization because of possible aliasing BGrsm.F:254:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:312:0: note: loop vectorized BGrsm.F:312:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:418:0: note: loop vectorized BGrsm.F:418:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:479:0: note: loop vectorized BGrsm.F:479:0: note: loop peeled for vectorization to enhance alignment BGrsm.F:609:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG BGrsm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_spin2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG c_check.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG cpsi_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_cpsi_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_cpsi_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_cpsi_write.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a cpsi.o c_geodesic.o cpsi_lmbda.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi' Making all in hfx make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' band_hfx.F:356.24: > dbl_mb(cpsi_data_get_chnk(psi_r_tag, nb1)), 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:370.26: > dbl_mb(cpsi_data_get_chnk(psi_r_tag, nb1)), 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:421.26: > dbl_mb(cpsi_data_get_chnk(psi_r_tag,nb1)), 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:467.26: > dbl_mb(cpsi_data_get_chnk(psi_r_tag,nb1)), 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:497.24: > dbl_mb(cpsi_data_get_chnk(psi_r_tag, nb1)), 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:512.26: > dbl_mb(cpsi_data_get_chnk(psi_r_tag, nb1)), 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:598.21: > dbl_mb(cpsi_data_get_chnk(psi_r_tag,nbq2)), 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_hfx.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_hfx.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx' Making all in Grsm_list make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_Grsm_list.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_lmbfgs.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_Grsm_list.o band_lmbfgs.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list' Making all in borbs make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' borbs.F:611.24: > dbl_mb(tmp(1)),dbl_mb(tmp2(1)), 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) borbs.F:662:0: note: loop vectorized borbs.F:662:0: note: loop versioned for vectorization because of possible aliasing borbs.F:662:0: note: loop peeled for vectorization to enhance alignment make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG borbs.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG borb_projector.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a borbs.o borb_projector.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib' Making all in dplot make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_dplot_input.F band_dplot_input.F:430:0: note: basic block vectorized band_dplot_input.F:423:0: note: basic block vectorized band_dplot_input.F:423:0: note: basic block vectorized band_dplot.F:1672:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_dplot.F band_dplot.F:1304:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_dplot_iteration.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot' Making all in analysis make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' band_analysis.F:627:0: note: loop vectorized band_analysis.F:627:0: note: loop peeled for vectorization to enhance alignment band_analysis.F:524:0: note: loop vectorized band_analysis.F:524:0: note: loop versioned for vectorization because of possible aliasing band_analysis.F:524:0: note: loop peeled for vectorization to enhance alignment band_analysis.F:482:0: note: loop vectorized band_analysis.F:482:0: note: loop peeled for vectorization to enhance alignment band_analysis.F:475:0: note: loop vectorized band_analysis.F:475:0: note: loop peeled for vectorization to enhance alignment band_analysis.F: In function 'band_analysis': band_analysis.F:335:0: warning: 'sum_shift' may be used uninitialized in this function [-Wmaybe-uninitialized] WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1), ^ band_analysis.F:52:0: note: 'sum_shift' was declared here integer A_shift,sum_shift,psi_shift,eig_shift ^ make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG band_analysis.F orb_pop_borb.F:197:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG orb_pop_borb.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_analysis.o orb_pop_borb.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band' Making all in ofpw make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ofpw_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG task_ofpw.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' Making all in minimizer make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' ofpw_minimizer.F: In function 'ofpw_minimizer': ofpw_minimizer.F:508:0: warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized] > 3*nion,dbl_mb(fion(1))) ^ ofpw_minimizer.F:63:0: note: 'nion' was declared here integer i,k,ia,nion,minimizer,mapping,mapping1d ^ make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ofpw_minimizer.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ofpw_cgsd_energy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ofpw_cgminimize.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer' Making all in cpsd make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ofpwsd.F inner_loop_ofpw.F:574:0: note: loop vectorized inner_loop_ofpw.F:224:0: note: loop vectorized inner_loop_ofpw.F:224:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG inner_loop_ofpw.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec chi_lmbda.f make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd' Making all in lib make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib' Making all in chi make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chi_read.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chi_write.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chi_new.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chi_expander.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi' Making all in electron make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chi_H.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG chi_Hv4.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a chi_H.o chi_Hv4.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron' Making all in ke make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG v_thomasfermi.F make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a v_thomasfermi.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke' Making all in WGC make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG wgc.F make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a wgc.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib' make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a ofpw_energy.o task_ofpw.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpw.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpw.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpw.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpw.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw' Making libraries in fft make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft' Making all in pfft1.0 make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0' Making all in fftpack make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dcfftb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dcfftf.F dcfti1.F: In function 'dcfti1': dcfti1.F:16:0: warning: 'ntry' may be used uninitialized in this function [-Wmaybe-uninitialized] if (j.gt.4) ntry = ntry + 2 ^ dpssb.F:122:0: note: loop vectorized dpssb.F:80:0: note: loop vectorized dpssb.F:80:0: note: loop versioned for vectorization because of possible aliasing dpssb.F:73:0: note: loop vectorized dpssb.F:73:0: note: loop versioned for vectorization because of possible aliasing dpssb.F:73:0: note: loop peeled for vectorization to enhance alignment dpssb.F:65:0: note: loop vectorized dpssb.F:65:0: note: loop versioned for vectorization because of possible aliasing dpssb.F:65:0: note: loop peeled for vectorization to enhance alignment dpssb.F:53:0: note: loop vectorized dpssb.F:53:0: note: loop versioned for vectorization because of possible aliasing dpssb.F:53:0: note: loop peeled for vectorization to enhance alignment dpssb.F:18:0: note: loop vectorized dpssb.F:18:0: note: loop versioned for vectorization because of possible aliasing dpssb.F:18:0: note: loop peeled for vectorization to enhance alignment dpssb.F:98:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dcffti.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dcftb1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dcftf1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dcfti1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssb.F dpssb2.F:17:0: note: loop vectorized dpssb2.F:17:0: note: loop versioned for vectorization because of possible aliasing dpssb3.F:30:0: note: loop vectorized dpssb3.F:30:0: note: loop versioned for vectorization because of possible aliasing dpssb4.F:31:0: note: loop vectorized dpssb4.F:31:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssb2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssb3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssb4.F dpssb5.F:51:0: note: loop vectorized dpssb5.F:51:0: note: loop versioned for vectorization because of possible aliasing dpssf.F:122:0: note: loop vectorized dpssf.F:80:0: note: loop vectorized dpssf.F:80:0: note: loop versioned for vectorization because of possible aliasing dpssf.F:73:0: note: loop vectorized dpssf.F:73:0: note: loop versioned for vectorization because of possible aliasing dpssf.F:73:0: note: loop peeled for vectorization to enhance alignment dpssf.F:65:0: note: loop vectorized dpssf.F:65:0: note: loop versioned for vectorization because of possible aliasing dpssf.F:65:0: note: loop peeled for vectorization to enhance alignment dpssf.F:53:0: note: loop vectorized dpssf.F:53:0: note: loop versioned for vectorization because of possible aliasing dpssf.F:53:0: note: loop peeled for vectorization to enhance alignment dpssf.F:18:0: note: loop vectorized dpssf.F:18:0: note: loop versioned for vectorization because of possible aliasing dpssf.F:18:0: note: loop peeled for vectorization to enhance alignment dpssf.F:98:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssb5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssf.F dpssf2.F:17:0: note: loop vectorized dpssf2.F:17:0: note: loop versioned for vectorization because of possible aliasing dpssf3.F:28:0: note: loop vectorized dpssf3.F:28:0: note: loop versioned for vectorization because of possible aliasing dpssf4.F:31:0: note: loop vectorized dpssf4.F:31:0: note: loop versioned for vectorization because of possible aliasing dpssf5.F:46:0: note: loop vectorized dpssf5.F:46:0: note: loop versioned for vectorization because of possible aliasing ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssf2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssf3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssf4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dpssf5.F drftb1.F:97:0: note: loop vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM drfftb.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM drfftf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM drffti.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM drftb1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM drftf1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM drfti1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradb2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradb3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradb4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradb5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradbg.F dradbg.F:210:0: note: loop vectorized dradbg.F:195:0: note: loop vectorized dradbg.F:195:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:182:0: note: loop vectorized dradbg.F:182:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:148:0: note: loop vectorized dradbg.F:148:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:148:0: note: loop peeled for vectorization to enhance alignment dradbg.F:134:0: note: loop vectorized dradbg.F:134:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:131:0: note: loop vectorized dradbg.F:131:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:131:0: note: loop peeled for vectorization to enhance alignment dradbg.F:119:0: note: loop vectorized dradbg.F:119:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:119:0: note: loop peeled for vectorization to enhance alignment dradbg.F:106:0: note: loop vectorized dradbg.F:106:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:106:0: note: loop peeled for vectorization to enhance alignment dradbg.F:51:0: note: loop vectorized dradbg.F:51:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:32:0: note: loop vectorized dradbg.F:32:0: note: loop versioned for vectorization because of possible aliasing dradbg.F:33:0: note: basic block vectorized dradbg.F:52:0: note: basic block vectorized dradbg.F:135:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradf2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradf3.F dradfg.F:407:0: note: loop vectorized dradfg.F:407:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:373:0: note: loop vectorized dradfg.F:373:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:336:0: note: loop vectorized dradfg.F:336:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:319:0: note: loop vectorized dradfg.F:319:0: note: loop peeled for vectorization to enhance alignment dradfg.F:305:0: note: loop vectorized dradfg.F:305:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:292:0: note: loop vectorized dradfg.F:292:0: note: loop peeled for vectorization to enhance alignment dradfg.F:279:0: note: loop vectorized dradfg.F:279:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:279:0: note: loop peeled for vectorization to enhance alignment dradfg.F:266:0: note: loop vectorized dradfg.F:266:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:266:0: note: loop peeled for vectorization to enhance alignment dradfg.F:240:0: note: loop vectorized dradfg.F:210:0: note: loop vectorized dradfg.F:210:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:197:0: note: loop vectorized dradfg.F:197:0: note: loop versioned for vectorization because of possible aliasing dradfg.F:61:0: note: loop vectorized dradfg.F:306:0: note: basic block vectorized dradfg.F:338:0: note: basic block vectorized dradfg.F:374:0: note: basic block vectorized dradfg.F:408:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradf4.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradf5.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM dradfg.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a dcfftb.o dcfftf.o dcffti.o dcftb1.o dcftf1.o dcfti1.o dpssb.o dpssb2.o dpssb3.o dpssb4.o dpssb5.o dpssf.o dpssf2.o dpssf3.o dpssf4.o dpssf5.o drfftb.o drfftf.o drffti.o drftb1.o drftf1.o drfti1.o dradb2.o dradb3.o dradb4.o dradb5.o dradbg.o dradf2.o dradf3.o dradf4.o dradf5.o dradfg.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack' Making all in pfft make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK blktrn.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK drain.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK fillup.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK mapfil.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK mapchk.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK prlst2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK xstop.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK pairup.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK gexit.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK igdiff.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK lstcnt.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK lstind.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK pfft.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK pfft3d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK prfft3.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK prfft.F mcfftr.F:93:0: note: basic block vectorized mcfftr.F:113:0: note: basic block vectorized mrfftr.F:101:0: note: loop vectorized mrfftr.F:101:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK prffti.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK chk3d.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK mfftc1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK mfftr1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK mcfftr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK mrfftr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK pfft1i.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK pfft1.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM -DTCGMSG -DFFTPACK wrkspc2.F make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0' make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0' Making all in pfftwrap make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' nwfft3d.F:240:0: note: loop vectorized nwfft3d.F:240:0: note: loop peeled for vectorization to enhance alignment nwfft3d.F:270:0: note: loop vectorized nwfft3d.F:270:0: note: loop peeled for vectorization to enhance alignment make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DEMSLFFT nwfft3d.F make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a nwfft3d.o echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft' make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft' Making libraries in 64to32blas make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yscal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ycopy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ydot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygemm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygemv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG iyamax.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygesv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygesvd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yaxpy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yspsvx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yposv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ysyev.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yger.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yrot.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylaset.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yswap.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygebak.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygebal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ynrm2.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylacpy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylascl.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylange.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ytrevc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yhseqr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yorghr.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygehrd.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ysterf.F ylarnv.F:15:0: note: basic block vectorized ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylarnv.F ylagtf.F:19:0: note: loop vectorized ylagtf.F:19:0: note: loop peeled for vectorization to enhance alignment ylagts.F:19:0: note: loop vectorized ylagts.F:19:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylagtf.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ylagts.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG yasum.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ypotri.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec ypotrf.f ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ysygv.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygeev.F ifily.F:9:0: note: loop vectorized ifily.F:9:0: note: loop peeled for vectorization to enhance alignment ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ygeevx.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ifily.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xscal.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xaxpy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xgemm.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xheev.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xcopy.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG xdotc.F ftn -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3 -mfpmath=sse -ffast-math -fprefetch-loop-arrays -ftree-vectorize -fopt-info-vec -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG ixamax.F make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/lib64to32.lock ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ifily.o xscal.o xaxpy.o xgemm.o xheev.o xcopy.o xdotc.o ixamax.o ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/lib64to32.a echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/lib64to32.a /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/lib64to32.a make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas' make nwchem.o stubs.o make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src' ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'" -c -o nwchem.o nwchem.F ftn -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'" -c -o stubs.o stubs.F make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src' ftn -L/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64 -L/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib -o /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lddscf -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lpfft -lpspw -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -L/opt/cray/papi/5.4.1.3/lib -lpapi -l64to32 -lsci_gnu -lnwclapack -lnwcblas ls -l ~/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem echo "#!/bin/bash" > nwchem.pbs echo "#PBS -j oe" >> nwchem.pbs echo "#PBS -lnodes=100:ppn=32" >> nwchem.pbs echo "#PBS -lwalltime=00:30:00" >> nwchem.pbs echo "#PBS -N z05" >> nwchem.pbs echo "cd $PBS_O_WORKDIR" >> nwchem.pbs echo "cp ~arnoldg/spp/flops.nw ." >> nwchem.pbs echo "aprun -n 800 -N 8 -d 4 ~/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem flops.nw > job.t.out" >> nwchem.pbs echo "cp -f job.t.out ~/nwchem-spp/" >> nwchem.pbs echo "tail -100 job.t.out > job.t.out.100" >> nwchem.pbs echo "grep cpu: job.t.out > job.t.out.100.cpu" >> nwchem.pbs echo "cp -f job.t.out.* ~/nwchem-spp/ " >> nwchem.pbs cat -n nwchem.pbs MYJOBID=`qsub nwchem.pbs` qsub nwchem.pbs /bin/rm -f nwchem.o stubs.o -rwxr-xr-x 1 bwjenkins BW_System 108967326 Feb 22 15:35 /u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem 1 #!/bin/bash 2 #PBS -j oe 3 #PBS -lnodes=100:ppn=32 4 #PBS -lwalltime=00:30:00 5 #PBS -N z05 6 cd 7 cp ~arnoldg/spp/flops.nw . 8 aprun -n 800 -N 8 -d 4 ~/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem flops.nw > job.t.out 9 cp -f job.t.out ~/nwchem-spp/ 10 tail -100 job.t.out > job.t.out.100 11 grep cpu: job.t.out > job.t.out.100.cpu 12 cp -f job.t.out.* ~/nwchem-spp/ INFO: Job submitted to account: jnc echo MYJOBID=$MYJOBID ~arnoldg/ior/wait_for.sh $MYJOBID MYJOBID=8235602.bw === RUNNING /u/staff/arnoldg/ior/wait_for.sh === Thu Feb 22 15:35:58 CST 2018: waiting for 8235602.bw to finish Thu Feb 22 15:40:58 CST 2018: waiting for 8235602.bw to finish Thu Feb 22 15:45:58 CST 2018: waiting for 8235602.bw to finish Thu Feb 22 15:50:58 CST 2018: waiting for 8235602.bw to finish Thu Feb 22 15:55:58 CST 2018: waiting for 8235602.bw to finish Thu Feb 22 16:00:58 CST 2018: waiting for 8235602.bw to finish qstat: Unknown Job Id Error 8235602.bw cd ~/nwchem-spp/ YVALUE=`cat job.t.out.100.cpu | grep Total | cut -d: -f3 | sed -e s/s//` cat job.t.out.100.cpu | grep Total | cut -d: -f3 | sed -e s/s// echo YVALUE="$YVALUE" > totaltime.txt 8235602.bw finished [SSH] exit-status: 0 [nwchem-spp] $ /bin/sh -xe /tmp/jenkins3644894722816082512.sh + rm -rf /var/lib/jenkins/workspace/nwchem-spp/job.t.out.100 /var/lib/jenkins/workspace/nwchem-spp/job.t.out.100.cpu /var/lib/jenkins/workspace/nwchem-spp/totaltime.txt + scp 'BW_REMOTE:~/nwchem-spp/job.t.out.*' /var/lib/jenkins/workspace/nwchem-spp Access by OTP or Two Factor Certificate Authority only. Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access. gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access. Blue Waters Admin Team + scp 'BW_REMOTE:~/nwchem-spp/totaltime.txt' /var/lib/jenkins/workspace/nwchem-spp Access by OTP or Two Factor Certificate Authority only. Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access. gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access. Blue Waters Admin Team Recording plot data Saving plot series data from: /var/lib/jenkins/workspace/nwchem-spp/totaltime.txt Finished: SUCCESS