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Nitrogen updates

This commit is contained in:
Paul Kent 2020-03-24 16:17:19 -04:00
parent 1cc82a5386
commit d6a0d024c2
2 changed files with 22 additions and 18 deletions
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35
tests/test_automation/nightly_ornl_nitrogen.sh
View File

@ -127,7 +127,7 @@ fi
echo --- Starting test builds and tests
for sys in build_gccnew build_gcccuda build_gccnew_complex build_gcccuda_complex build_gccnew_nompi build_gccnew_nompi_complex
for sys in build_gccnew build_gcccuda build_gccnew_complex build_gcccuda_complex build_gccnew_nompi build_gccnew_nompi_complex build_gccnew_aos build_gccnew_complex_aos
do
echo --- START $sys `date`
@ -191,7 +191,7 @@ fi
# GCC
# Dates at https://gcc.gnu.org/releases.html
gcc_vnew=9.2.0 # 2019-08-12
gcc_vnew=9.3.0 # 2020-03-12
#Zen2 optimziations are only in gcc 9.1+, with improved scheduling in 9.2+
#For now, only use newer compilers
@ -242,7 +242,9 @@ gccnewbuild) echo $ourenv
spack load gcc@$gcc_vnew
spack load hdf5@$hdf5_vnew%gcc@$gcc_vnew
spack load cmake@$cmake_vnew%gcc@$gcc_vnew
spack load openmpi@$ompi_vnew%gcc@$gcc_vnew
if [[ $sys != *"nompi"* ]]; then
spack load openmpi@$ompi_vnew%gcc@$gcc_vnew
fi
spack load libxml2@$libxml2_vnew%gcc@$gcc_vnew
spack load fftw@$fftw_vnew%gcc@$gcc_vnew
spack load amdblis
@ -253,7 +255,9 @@ gcccudabuild) echo $ourenv
spack load gcc@$gcc_vcuda
spack load hdf5@$hdf5_vnew%gcc@$gcc_vnew
spack load cmake@$cmake_vnew%gcc@$gcc_vnew
spack load openmpi@$ompi_vnew%gcc@$gcc_vnew
if [[ $sys != *"nompi"* ]]; then
spack load openmpi@$ompi_vnew%gcc@$gcc_vnew
fi
spack load libxml2@$libxml2_vnew%gcc@$gcc_vnew
spack load fftw@$fftw_vnew%gcc@$gcc_vnew
spack load amdblis
@ -265,7 +269,9 @@ clangnewbuild) echo $ourenv
spack load gcc@$gcc_vnew
spack load hdf5@$hdf5_vnew%gcc@$gcc_vnew
spack load cmake@$cmake_vnew%gcc@$gcc_vnew
spack load openmpi@$ompi_vnew%gcc@$gcc_vnew
if [[ $sys != *"nompi"* ]]; then
spack load openmpi@$ompi_vnew%gcc@$gcc_vnew
fi
spack load libxml2@$libxml2_vnew%gcc@$gcc_vnew
spack load fftw@$fftw_vnew%gcc@$gcc_vnew
spack load amdblis
@ -400,21 +406,18 @@ fi
# Boilerplate for all tests
CTCFG="$CTCFG -DQMC_DATA=${QMC_DATA} -DENABLE_TIMERS=1"
# Selectively enable AFQMC due to more stringent compiler requirements
if [[ $sys == *"complex"* ]]; then
case "$sys" in
*gccnew*|*clangnew*|*cuda*|*intel*) echo "AFQMC is enabled for this complex build"
CTCFG="$CTCFG -DBUILD_AFQMC=1"
;;
*) echo "AFQMC is disabled for this complex build (either unsupported or unchecked)"
CTCFG="$CTCFG -DBUILD_AFQMC=0"
;;
esac
# Selectively enable AFQMC
if [[ $sys == *"nompi"* ]]; then
echo "AFQMC is disabled for this build without MPI."
CTCFG="$CTCFG -DBUILD_AFQMC=0"
else
echo "AFQMC is enabled for this complex build"
CTCFG="$CTCFG -DBUILD_AFQMC=1"
fi
# Adjust which tests are run to control overall runtime
case "$sys" in
*gccnew|*gccnew_complex|*clangnew|*clangnew_complex|*gcccuda|*gcccuda_complex|*gcccuda_full) echo "Running full ("less limited") test set for $sys"
*gccnew|*gccnew_aos|*gccnew_complex|*gccnew_complex_aos|*clangnew|*clangnew_complex|*gcccuda|*gcccuda_complex|*gcccuda_full) echo "Running full ("less limited") test set for $sys"
THETESTS=$LESSLIMITEDTESTS
;;
*) echo "Running limited test set for $sys"

5
tests/test_automation/ornl_nitrogen_setup.sh
View File

@ -66,7 +66,7 @@ echo --- End listings
# GCC
# Dates at https://gcc.gnu.org/releases.html
gcc_vnew=9.2.0 # 2019-08-12
gcc_vnew=9.3.0 # 2020-03-12
#Zen2 optimziations are only in gcc 9.1+, with improved scheduling in 9.2+
#For now, only use newer compilers
@ -118,7 +118,8 @@ spack install cmake@${cmake_vnew}%gcc@${gcc_vnew}
spack install boost@${boost_vnew}%gcc@${gcc_vnew}
spack install openmpi@${ompi_vnew}%gcc@${gcc_vnew} fabrics=auto ^libxml2@${libxml2_vnew}%gcc@${gcc_vnew}
#spack HDF5 package requires fortran and hl (high level) support to be specifically enabled for use with QE
spack install hdf5@${hdf5_vnew}%gcc@${gcc_vnew} +fortran +hl ^openmpi@${ompi_vnew}%gcc@${gcc_vnew} fabrics=auto
#spack install hdf5@${hdf5_vnew}%gcc@${gcc_vnew} +fortran +hl ^openmpi@${ompi_vnew}%gcc@${gcc_vnew} fabrics=auto
spack install hdf5@${hdf5_vnew}%gcc@${gcc_vnew} +fortran +hl -mpi #Avoid MPI otherwise nompi build can break
spack install fftw@${fftw_vnew}%gcc@${gcc_vnew} ^openmpi@${ompi_vnew}%gcc@${gcc_vnew} fabrics=auto
spack unload gcc@${gcc_vnew}
echo --- gcc@${gcc_vcuda}