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Merge branch 'develop' into nx_override_vp1

This commit is contained in:
Paul R. C. Kent 2022-09-16 18:57:30 -04:00 committed by GitHub
parent 23393a5e94 e7bb790501
commit 69aa0bca13
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3 changed files with 31 additions and 23 deletions
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24
.github/workflows/ci-github-actions-self-hosted.yaml vendored
View File

@ -20,10 +20,10 @@ jobs:
fail-fast: false
matrix:
jobname: [
GCC8-NoMPI-MKL-Real-Mixed, # mixed precision
GCC8-NoMPI-MKL-Complex-Mixed,
GCC8-NoMPI-MKL-Real, # full precision
GCC8-NoMPI-MKL-Complex,
GCC9-NoMPI-MKL-Real-Mixed, # mixed precision
GCC9-NoMPI-MKL-Complex-Mixed,
GCC9-NoMPI-MKL-Real, # full precision
GCC9-NoMPI-MKL-Complex,
]
steps:
@ -115,10 +115,10 @@ jobs:
fail-fast: false
matrix:
jobname: [
GCC8-NoMPI-Legacy-CUDA-Real-Mixed, # mixed precision
GCC8-NoMPI-Legacy-CUDA-Complex-Mixed,
GCC8-NoMPI-Legacy-CUDA-Real, # full precision
GCC8-NoMPI-Legacy-CUDA-Complex,
GCC9-NoMPI-Legacy-CUDA-Real-Mixed, # mixed precision
GCC9-NoMPI-Legacy-CUDA-Complex-Mixed,
GCC9-NoMPI-Legacy-CUDA-Real, # full precision
GCC9-NoMPI-Legacy-CUDA-Complex,
Clang15-MPI-CUDA-AFQMC-Offload-Real-Mixed, # auxiliary field, offload
Clang15-MPI-CUDA-AFQMC-Offload-Real,
Clang15-MPI-CUDA-AFQMC-Offload-Complex-Mixed,
@ -317,10 +317,10 @@ jobs:
fail-fast: false
matrix:
jobname: [
GCC8-MPI-CUDA-AFQMC-Real-Mixed, # auxiliary field, requires MPI
GCC8-MPI-CUDA-AFQMC-Complex-Mixed,
GCC8-MPI-CUDA-AFQMC-Real,
GCC8-MPI-CUDA-AFQMC-Complex,
GCC9-MPI-CUDA-AFQMC-Real-Mixed, # auxiliary field, requires MPI
GCC9-MPI-CUDA-AFQMC-Complex-Mixed,
GCC9-MPI-CUDA-AFQMC-Real,
GCC9-MPI-CUDA-AFQMC-Complex,
]
steps:

2
tests/solids/diamondC_2x1x1_pp/CMakeLists.txt
View File

@ -463,7 +463,7 @@ if(NOT QMC_CUDA)
list(APPEND DET_DIAMOND2_DELAY_SCALARS "eeenergy" "-4.25515637 0.00000418")
list(APPEND DET_DIAMOND2_DELAY_SCALARS "ionion" "-25.55133296 0.0000014")
list(APPEND DET_DIAMOND2_DELAY_SCALARS "localecp" "-9.39410011 0.00002983")
list(APPEND DET_DIAMOND2_DELAY_SCALARS "nonlocalecp" "1.72100833 0.00000237")
list(APPEND DET_DIAMOND2_DELAY_SCALARS "nonlocalecp" "1.72100833 0.0000045")
list(APPEND DET_DIAMOND2_DELAY_SCALARS "samples" "9.00000000 0.0")
list(APPEND DET_DIAMOND2_DELAY_SCALARS "flux" "-12.47276797 0.00007329")
else()

28
tests/test_automation/github-actions/ci/run_step.sh
View File

@ -80,10 +80,18 @@ case "$1" in
;;
esac
# Path to QMC_DATA in self-hosted CI system
# Path to QMC_DATA in self-hosted CI system and point at minimum gcc-9
if [[ "$HOST_NAME" =~ (sulfur) || "$HOST_NAME" =~ (nitrogen) ]]
then
QMC_DATA_DIR=/scratch/ci/QMC_DATA_FULL
# use gcc-9
export PATH=/opt/rh/gcc-toolset-9/root/bin:$PATH
export LD_LIBRARY_PATH=/opt/rh/gcc-toolset-9/root/usr/lib/gcc/x86_64-redhat-linux/9:$LD_LIBRARY_PATH
# Make current environment variables available to subsequent steps
echo "PATH=/opt/rh/gcc-toolset-9/root/bin:$PATH" >> $GITHUB_ENV
echo "LD_LIBRARY_PATH=/opt/rh/gcc-toolset-9/root/usr/lib/gcc/x86_64-redhat-linux/9:$LD_LIBRARY_PATH" >> $GITHUB_ENV
fi
case "${GH_JOBNAME}" in
@ -167,15 +175,15 @@ case "$1" in
"with latest llvm, need built-from-source OpenBLAS due to bug in rpm"
# todo: update to llvm 15 release, currently using release candidate
export OMPI_CC=/opt/llvm/15.0.0-rc3/bin/clang
export OMPI_CXX=/opt/llvm/15.0.0-rc3/bin/clang++
export OMPI_CC=/opt/llvm/15.0.0/bin/clang
export OMPI_CXX=/opt/llvm/15.0.0/bin/clang++
# Make current environment variables available to subsequent steps
echo "OMPI_CC=/opt/llvm/15.0.0-rc3/bin/clang" >> $GITHUB_ENV
echo "OMPI_CXX=/opt/llvm/15.0.0-rc3/bin/clang++" >> $GITHUB_ENV
echo "OMPI_CC=/opt/llvm/15.0.0/bin/clang" >> $GITHUB_ENV
echo "OMPI_CXX=/opt/llvm/15.0.0/bin/clang++" >> $GITHUB_ENV
# Confirm that cuda 11.2 gets picked up by the compiler
/opt/llvm/15.0.0-rc3/bin/clang++ -v
/opt/llvm/15.0.0/bin/clang++ -v
cmake -GNinja \
-DCMAKE_C_COMPILER=/usr/lib64/openmpi/bin/mpicc \
@ -255,7 +263,7 @@ case "$1" in
-DQMC_DATA=$QMC_DATA_DIR \
${GITHUB_WORKSPACE}
;;
*"GCC8-MPI-CUDA-AFQMC"*)
*"GCC9-MPI-CUDA-AFQMC"*)
echo 'Configure for building with ENABLE_CUDA and AFQMC, need built-from-source OpenBLAS due to bug in rpm'
cmake -GNinja \
-DCMAKE_C_COMPILER=/usr/lib64/openmpi/bin/mpicc \
@ -270,7 +278,7 @@ case "$1" in
-DQMC_DATA=$QMC_DATA_DIR \
${GITHUB_WORKSPACE}
;;
*"GCC8-NoMPI-Legacy-CUDA"*)
*"GCC9-NoMPI-Legacy-CUDA"*)
echo 'Configure for building with Legacy CUDA'
cmake -GNinja \
-DQMC_CUDA=1 \
@ -281,7 +289,7 @@ case "$1" in
-DQMC_DATA=$QMC_DATA_DIR \
${GITHUB_WORKSPACE}
;;
*"GCC8-NoMPI-MKL-"*)
*"GCC9-NoMPI-MKL-"*)
echo 'Configure for building with GCC and Intel MKL'
source /opt/intel2020/mkl/bin/mklvars.sh intel64
@ -375,7 +383,7 @@ case "$1" in
if [[ "${GH_JOBNAME}" =~ (AFQMC-Offload) ]]
then
export LD_LIBRARY_PATH=/opt/llvm/15.0.0-rc3/lib:/usr/lib64/openmpi/lib:${LD_LIBRARY_PATH}
export LD_LIBRARY_PATH=/opt/llvm/15.0.0/lib:/usr/lib64/openmpi/lib:${LD_LIBRARY_PATH}
fi
if [[ "${GH_JOBNAME}" =~ (Intel19) ]]