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Update build recipe for polaris and aurora #5279

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merged 2 commits into from
Jan 14, 2025
Merged

Update build recipe for polaris and aurora #5279

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15535cd
Update build recipe for polaris and aurora
Hyeondeok-Shin Jan 13, 2025
f57cc91
Update revision date
Hyeondeok-Shin Jan 14, 2025
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12 changes: 4 additions & 8 deletions config/build_alcf_aurora_icpx.sh
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
#!/bin/bash
# This recipe is intended for ALCF Aurora https://www.alcf.anl.gov/support-center/aurora-sunspot
# last revision: Sep 23th 2024
# last revision: Jan 13th 2025
#
# How to invoke this script?
# build_alcf_aurora_icpx.sh # build all the variants assuming the current directory is the source directory.
Expand Down Expand Up @@ -41,7 +41,7 @@ else
exit
fi

for name in offload_sycl_real_MP offload_sycl_real offload_sycl_cplx_MP offload_sycl_cplx \
for name in gpu_real_MP gpu_real gpu_cplx_MP gpu_cplx \
cpu_real_MP cpu_real cpu_cplx_MP cpu_cplx
do

Expand All @@ -56,15 +56,11 @@ if [[ $name == *"_MP"* ]]; then
CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_MIXED_PRECISION=ON"
fi

if [[ $name == *"offload"* ]]; then
CMAKE_FLAGS="$CMAKE_FLAGS -DENABLE_OFFLOAD=ON -DQMC_GPU_ARCHS=intel_gpu_pvc"
if [[ $name == *"gpu"* ]]; then
CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_GPU_ARCHS=intel_gpu_pvc"
CMAKE_CXX_FLAGS="-mllvm -vpo-paropt-atomic-free-reduction-slm=true"
fi

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

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

if [[ -v install_folder ]]; then
Expand Down
14 changes: 3 additions & 11 deletions config/build_alcf_polaris_Clang.sh
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
#!/bin/bash
# This recipe is intended for ALCF Polaris https://www.alcf.anl.gov/polaris
# It builds all the varaints of QMCPACK in the current directory
# last revision: Nov 18th 2024
# last revision: Jan 13th 2025
#
# How to invoke this script?
# build_alcf_polaris_Clang.sh # build all the variants assuming the current directory is the source directory.
Expand Down Expand Up @@ -44,7 +44,7 @@ else
exit
fi

for name in offload_cuda_real_MP offload_cuda_real offload_cuda_cplx_MP offload_cuda_cplx \
for name in gpu_real_MP gpu_real gpu_cplx_MP gpu_cplx \
cpu_real_MP cpu_real cpu_cplx_MP cpu_cplx
do

Expand All @@ -58,18 +58,10 @@ if [[ $name == *"_MP"* ]]; then
CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_MIXED_PRECISION=ON"
fi

if [[ $name == *"offload"* || $name == *"cuda"* ]]; then
if [[ $name == *"gpu"* ]]; then
CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_GPU_ARCHS=sm_80"
fi

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

if [[ $name == *"cuda"* ]]; then
CMAKE_FLAGS="$CMAKE_FLAGS -DENABLE_CUDA=ON"
fi

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

if [[ -v install_folder ]]; then
Expand Down
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