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Add initial ALCF Sunspot build recipe. #4391

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94 changes: 94 additions & 0 deletions config/build_alcf_sunspot_icpx.sh
Original file line number Diff line number Diff line change
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#!/bin/bash
# This recipe is intended for ALCF Sunspot https://www.alcf.anl.gov/support-center/aurora-sunspot
# last revision: Jan 8th 2023
#
# How to invoke this script?
# build_alcf_sunspot_icpx.sh # build all the variants assuming the current directory is the source directory.
# build_alcf_sunspot_icpx.sh <source_dir> # build all the variants with a given source directory <source_dir>
# build_alcf_sunspot_icpx.sh <source_dir> <install_dir> # build all the variants with a given source directory <source_dir> and install to <install_dir>

module load spack libxml2 cmake
module load cray-hdf5/1.12.2.1
module load oneapi/eng-compiler/2022.12.30.002

module list >& module_list.txt

# edit this line for your own boost header files.
export BOOST_ROOT=/home/yeluo/opt/boost_1_80_0

echo "**********************************"
echo '$ icpx -v'
icpx -v
echo "**********************************"

TYPE=Release
Machine=sunspot
Compiler=icpx

if [[ $# -eq 0 ]]; then
source_folder=`pwd`
elif [[ $# -eq 1 ]]; then
source_folder=$1
else
source_folder=$1
install_folder=$2
fi

if [[ -f $source_folder/CMakeLists.txt ]]; then
echo Using QMCPACK source directory $source_folder
else
echo "Source directory $source_folder doesn't contain CMakeLists.txt. Pass QMCPACK source directory as the first argument."
exit
fi

for name in offload_sycl_real_MP offload_sycl_real offload_sycl_cplx_MP offload_sycl_cplx \
cpu_real_MP cpu_real cpu_cplx_MP cpu_cplx
do

CMAKE_FLAGS="-DCMAKE_BUILD_TYPE=$TYPE"

if [[ $name == *"cplx"* ]]; then
CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_COMPLEX=ON"
fi

if [[ $name == *"_MP"* ]]; then
CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_MIXED_PRECISION=ON"
fi

if [[ $name == *"offload"* ]]; then
CMAKE_FLAGS="$CMAKE_FLAGS -DENABLE_OFFLOAD=ON"
fi

if [[ $name == *"sycl"* ]]; then
CMAKE_FLAGS="$CMAKE_FLAGS -DENABLE_SYCL=ON"
fi

folder=build_${Machine}_${Compiler}_${name}

if [[ -v install_folder ]]; then
CMAKE_FLAGS="$CMAKE_FLAGS -DCMAKE_INSTALL_PREFIX=$install_folder/$folder"
fi

echo "**********************************"
echo "$folder"
echo "$CMAKE_FLAGS"
echo "**********************************"

mkdir $folder
cd $folder

if [ ! -f CMakeCache.txt ] ; then
cmake $CMAKE_FLAGS -DCMAKE_CXX_FLAGS="-mllvm -vpo-paropt-atomic-free-reduction-slm=true" \
-DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx $source_folder
fi

if [[ -v install_folder ]]; then
make -j16 install && chmod -R -w $install_folder/$folder
else
make -j16
fi

cd ..

echo
done