mirror of https://github.com/QMCPACK/qmcpack.git
66 lines
2.3 KiB
Bash
Executable File
66 lines
2.3 KiB
Bash
Executable File
#!/bin/bash
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echo "----------------------- WARNING ------------------------------------"
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echo "This is **not** production ready and intended for development only!!"
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echo "Use config/build_olcf_summit.sh for production on Summit."
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echo "----------------------- WARNING ------------------------------------"
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echo "Purging current module set"
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module purge
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echo "Loading QMCPACK dependency modules for summit"
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module load xl
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module load spectrum-mpi
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module load cmake
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module load git
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module load cuda
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module load essl
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module load netlib-lapack
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module load hdf5
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module load python/3.6.6-anaconda3-5.3.0
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#the XL built fftw is buggy, use the gcc version
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#module load fftw
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export FFTW_HOME=/autofs/nccs-svm1_sw/summit/.swci/1-compute/opt/spack/20180914/linux-rhel7-ppc64le/gcc-6.4.0/fftw-3.3.8-5gcj2ic4el7acu3rqnfnh735jz2ez7j5
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export BOOST_ROOT=/autofs/nccs-svm1_sw/summit/.swci/1-compute/opt/spack/20180914/linux-rhel7-ppc64le/gcc-6.4.0/boost-1.66.0-l3sghp3ggjzwi4vtvyb5yzsjm36npgrk
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TYPE=Release
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Compiler=XL
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CURRENT_FOLDER=`pwd`
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for name in offload_real_MP offload_real # offload_cplx offload_cplx_MP
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do
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CMAKE_FLAGS="-D CMAKE_BUILD_TYPE=$TYPE -D ENABLE_CUDA=1 -D CUDA_ARCH=sm_70 -D ENABLE_MASS=1 -D MASS_ROOT=/sw/summit/xl/16.1.1-5/xlmass/9.1.1 -D MPIEXEC_EXECUTABLE=/bin/sh -D MPIEXEC_NUMPROC_FLAG=$CURRENT_FOLDER/tests/scripts/jsrunhelper.sh"
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if [[ $name == *"cplx"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -D QMC_COMPLEX=1"
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fi
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if [[ $name == *"_MP"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -D QMC_MIXED_PRECISION=1"
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fi
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if [[ $name == *"offload"* ]]; then
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CMAKE_FLAGS="$CMAKE_FLAGS -D ENABLE_OFFLOAD=1"
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fi
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folder=build_summit_${Compiler}_${name}
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echo "**********************************"
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echo "$folder"
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echo "$CMAKE_FLAGS"
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echo "**********************************"
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mkdir $folder
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cd $folder
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if [ ! -f CMakeCache.txt ] ; then
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cmake $CMAKE_FLAGS -D CMAKE_C_COMPILER=mpixlc -D CMAKE_CXX_COMPILER=mpixlC -D CMAKE_C_FLAGS=-qarch=pwr9 \
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-D CMAKE_CXX_FLAGS="-qarch=pwr9 -qxflag=disable__cplusplusOverride -isystem /sw/summit/gcc/6.4.0/include/c++/6.4.0/powerpc64le-none-linux-gnu -qgcc_cpp_stdinc=/sw/summit/gcc/6.4.0/include/c++/6.4.0" \
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-D CMAKE_CXX_STANDARD_LIBRARIES=/sw/summit/gcc/6.4.0/lib64/libstdc++.a \
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-D BLAS_essl_LIBRARY=$OLCF_ESSL_ROOT/lib64/libessl.so ..
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cmake ..
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fi
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make -j24
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cd ..
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echo
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done
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