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spack-psi/.gitea/workflows/sbatch/opal-x_gpu.sbatch
germann_e 49a9018d4c
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FIX: new openmpi for opal-x
2025-06-30 13:05:55 +02:00

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#!/bin/bash
#SBATCH --job-name="opal-x-scheduled-A100-GPU"
#SBATCH --output=_scheduler-stdout.txt
#SBATCH --error=_scheduler-stderr.txt
#SBATCH --partition=a100-daily
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=16
#SBATCH --time=01:00:00
#SBATCH --cluster=tgmerlin7
#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