qmcpack/config/build_olcf_summit.sh

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#!/bin/bash
module purge
echo "Purging current module set"
. config/load_summit_modules.sh
declare -A builds=( ["cpu"]=" " \
["complex_cpu"]="-DQMC_COMPLEX=1 " \
["legacy_gpu"]="-DQMC_CUDA=1 -DCUDA_ARCH=sm_70 " \
["complex_legacy_gpu"]="-DQMC_CUDA=1 -DQMC_COMPLEX=1 -DCUDA_ARCH=sm_70 " )
mkdir bin
for build in "${!builds[@]}"
do
echo "building: $build with ${builds[$build]}"
rm bin/qmcpack_${build}
mkdir build_summit_${build}
cd build_summit_${build}
cmake -DCMAKE_C_COMPILER="mpicc" \
-DCMAKE_CXX_COMPILER="mpicxx" \
-DBUILD_LMYENGINE_INTERFACE=0 \
${builds[$build]} \
..
make -j 20
if [ $? -eq 0 ]; then
build_dir=$(pwd)
ln -sf ${build_dir}/bin/qmcpack ${build_dir}/../bin/qmcpack_${build}
fi
cd ..
done