#!/bin/bash #SBATCH --job-name="opal-x-scheduled-A100-GPU" #SBATCH --output=_scheduler-stdout.txt #SBATCH --error=_scheduler-stderr.txt #SBATCH --partition=a100-hourly #SBATCH --nodes=1 #SBATCH --ntasks-per-node=16 #SBATCH --time=01:00:00 #SBATCH --cluster=gmerlin7 #SBATCH --gpus=1 #SBATCH --wait export SSL_CERT_FILE=/etc/ssl/ca-bundle.pem export REQUESTS_CA_BUNDLE=/etc/ssl/ca-bundle.pem PMODULES_VERSION='2.0.0.2' source /opt/psi/config/profile.bash module use Spack unstable module load gcc/13.2.0 openmpi/5.0.7-dnpr-A100-gpu module load boost/1.82.0-lgrt fftw/3.3.10.6-zv2b-omp gnutls/3.8.9-mcdr googletest/1.14.0-msmu gsl/2.7.1-hxwy h5hut/2.0.0rc7-zy7s openblas/0.3.29-zkwb cmake/3.31.6-oe7u git clone https://gitlab.psi.ch/OPAL/opal-x/src.git opal-x cd opal-x ./gen_OPALrevision mkdir build cd build cmake -DCMAKE_BUILD_TYPE=Release -DKokkos_ARCH_AMPERE80=ON -DCMAKE_CXX_STANDARD=20 -DIPPL_ENABLE_FFT=ON -DIPPL_ENABLE_TESTS=OFF -DIPPL_ENABLE_SOLVERS=ON -DIPPL_ENABLE_ALPINE=True -DIPPL_PLATFORMS=cuda .. make -j 16