mirror of https://github.com/QMCPACK/qmcpack.git
update nightly scripts
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2c199d008b
commit
5f90d8f928
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@ -39,7 +39,7 @@ case "$plat" in
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GenuineIntel )
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ourplatform=Intel
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;;
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AuthenticaAMD )
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AuthenticAMD )
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ourplatform=AMD
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;;
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* )
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@ -57,14 +57,14 @@ echo --- Host is $ourhostname
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case "$ourhostname" in
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sulfur )
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if [[ $jobtype == "nightly" ]]; then
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buildsys="build_intel2020_nompi build_intel2020 build_intel2020_complex build_intel2020_mixed build_intel2020_complex_mixed build_intel2020_aos build_gccnew_nompi_mkl build_gccold_nompi_mkl build_clangnew_nompi_mkl build_clangold_nompi_mkl build_gccnew_nompi build_clangnew_nompi build_gccnew_mkl build_gccnew_mkl_complex build_clangnew_mkl build_clangnew_mkl_complex build_clangnew_mkl_mixed"
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buildsys="build_intel2020_nompi build_intel2020 build_intel2020_complex build_intel2020_mixed build_intel2020_complex_mixed build_gccnew_nompi_mkl build_gccold_nompi_mkl build_clangnew_nompi_mkl build_clangold_nompi_mkl build_gccnew_nompi build_clangnew_nompi build_gccnew_mkl build_gccnew_mkl_complex build_clangnew_mkl build_clangnew_mkl_complex build_clangnew_mkl_mixed build_gcccuda build_gcccuda_complex build_gcccuda_full build_pgi2019_nompi"
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else
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buildsys="build_gccnew_mkl_nompi build_clangnew_mkl_nompi build_intel2020_nompi build_intel2020 build_intel2020_complex build_intel2020_mixed build_intel2020_complex_mixed build_intel2020_aos"
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buildsys="build_gccnew_mkl_nompi build_clangnew_mkl_nompi build_intel2020_nompi build_intel2020 build_intel2020_complex build_intel2020_mixed build_intel2020_complex_mixed build_gcccuda build_gcccuda_complex build_pgi2019_nompi"
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fi
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;;
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nitrogen )
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if [[ $jobtype == "nightly" ]]; then
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buildsys="build_gccnew build_pgi2019_nompi build_gcccuda build_gcccuda_full build_gcccuda_complex build_gccnew_complex build_gccnew_nompi build_gccnew_nompi_complex build_clangnew build_clangnew_complex build_clangnew_mixed build_clangnew_complex_mixed build_clangnew_aos build_clangnew_complex_aos"
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buildsys="build_gccnew build_pgi2019_nompi build_gcccuda build_gcccuda_full build_gcccuda_complex build_gccnew_complex build_gccnew_nompi build_gccnew_nompi_complex build_clangnew build_clangnew_complex build_clangnew_mixed build_clangnew_complex_mixed"
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else
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buildsys="build_gccnew build_pgi2019_nompi build_gcccuda build_gcccuda_complex build_gccnew_complex build_clangnew"
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fi
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@ -102,8 +102,10 @@ export QMC_DATA=/scratch/pk7/QMC_DATA # Route to directory containing performanc
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# CUDA 10 setup
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export CUDAVER=10.2
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export PATH=/opt/local/bin:/opt/local/sbin:/usr/local/cuda-${CUDAVER}/bin/:/usr/local/bin:/usr/bin:/bin:/usr/sbin:/sbin
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export LD_LIBRARY_PATH=/usr/local/cuda-${CUDAVER}/lib64
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#export PATH=/opt/local/bin:/opt/local/sbin:/usr/local/cuda-${CUDAVER}/bin/:/usr/local/bin:/usr/bin:/bin:/usr/sbin:/sbin
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export PATH=/usr/local/cuda-${CUDAVER}/bin/:${PATH}
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#export LD_LIBRARY_PATH=/usr/local/cuda-${CUDAVER}/lib64
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export LD_LIBRARY_PATH=/usr/local/cuda-${CUDAVER}/lib64:${LD_LIBRARY_PATH}
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# Specify GPUs for testing. Obtain device IDs via "nvidia-smi -L"
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#export CUDA_VISIBLE_DEVICES=
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@ -600,6 +602,8 @@ fi
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if [[ $sys == *"aos"* ]]; then
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QMCPACK_TEST_SUBMIT_NAME=${QMCPACK_TEST_SUBMIT_NAME}-AoS
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CTCFG="$CTCFG -DENABLE_SOA=0"
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echo "*** ERROR: AoS Builds are deprecated as of 2020-05-19"
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exit 1
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else
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CTCFG="$CTCFG -DENABLE_SOA=1"
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fi
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@ -21,7 +21,7 @@ case "$plat" in
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GenuineIntel )
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ourplatform=Intel
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;;
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AuthenticaAMD )
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AuthenticAMD )
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ourplatform=AMD
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;;
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* )
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@ -169,6 +169,11 @@ spack load gcc@${gcc_vintel}
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spack compiler find
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spack unload gcc@${gcc_vintel}
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fi
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echo --- gcc@${gcc_vpgi}
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spack install gcc@${gcc_vpgi}
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spack load gcc@${gcc_vpgi}
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spack compiler find
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spack unload gcc@${gcc_vpgi}
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echo --- llvm@${llvm_vnew}
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spack install llvm@${llvm_vnew}
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spack load llvm@${llvm_vnew}
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@ -231,5 +236,10 @@ spack activate py-h5py%gcc@${gcc_vold}
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spack activate py-pandas%gcc@${gcc_vold}
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spack activate py-lxml%gcc@${gcc_vold}
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spack unload python
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echo --- PGI setup reminder
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echo "To configure the PGI compilers with one of the newly installed C++ libraries:"
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echo "spack load gcc@${gcc_vpgi} # For example"
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echo "cd /opt/pgi/linux86-64/19.10/bin"
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echo "sudo ./makelocalrc -x /opt/pgi/linux86-64/19.10/ -gcc `which gcc` -gpp `which g++` -g77 `which gfortran`"
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echo "gcc_vpgi is set to" ${gcc_vpgi}
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echo --- FINISH setup script `date`
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@ -14,6 +14,7 @@ gcc_vold=7.3.0 # 2018-01-25
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#gcc_vcuda=8.2.1 # For CUDA 10.2 compatibility https://docs.nvidia.com/cuda/cuda-installation-guide-linux/index.html
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gcc_vcuda=8.3.0 # Not officially supported with RHEL8.1 but 8.2.1 is not available in spack
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gcc_vintel=8.3.0 # Compiler for C++ library used by Intel compiler
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gcc_vpgi=8.3.0 # Use makelocalrc to configure PGI with this compiler
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# LLVM
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# Zen2 scheduling optimizations are only in LLVM 10+
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