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Enable MPI and AFQMC on sulfur CPU CI runs
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ye-luo committed Nov 21, 2024
1 parent 3c0f6dc commit 7dc705b
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Showing 2 changed files with 9 additions and 6 deletions.
8 changes: 4 additions & 4 deletions .github/workflows/ci-github-actions-self-hosted.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -20,10 +20,10 @@ jobs:
fail-fast: false
matrix:
jobname: [
GCC11-NoMPI-MKL-Real-Mixed, # mixed precision
GCC11-NoMPI-MKL-Complex-Mixed,
GCC11-NoMPI-MKL-Real, # full precision
GCC11-NoMPI-MKL-Complex,
GCC11-MPI-MKL-AFQMC-Real-Mixed, # mixed precision
GCC11-MPI-MKL-AFQMC-Complex-Mixed,
GCC11-MPI-MKL-AFQMC-Real, # full precision
GCC11-MPI-MKL-AFQMC-Complex,
]

steps:
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Original file line number Diff line number Diff line change
Expand Up @@ -49,14 +49,17 @@ case "$1" in
esac

case "${GH_JOBNAME}" in
*"GCC11-NoMPI-MKL-"*)
*"GCC11-MPI-MKL-AFQMC"*)
echo 'Configure for building with GCC and Intel MKL'

source /opt/intel/oneapi/setvars.sh

cmake -GNinja \
-DCMAKE_C_COMPILER=/usr/lib64/openmpi/bin/mpicc \
-DCMAKE_CXX_COMPILER=/usr/lib64/openmpi/bin/mpicxx \
-DMPIEXEC_EXECUTABLE=/usr/lib64/openmpi/bin/mpirun \
-DBLA_VENDOR=Intel10_64lp \
-DQMC_MPI=0 \
-DBUILD_AFQMC=ON \
-DQMC_COMPLEX=$IS_COMPLEX \
-DQMC_MIXED_PRECISION=$IS_MIXED_PRECISION \
-DCMAKE_BUILD_TYPE=RelWithDebInfo \
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