Translations:GROMACS/109/fr
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File : gromacs_job_cedar_avx512.sh
#!/bin/bash
#SBATCH --nodes=4
#SBATCH --ntasks-per-node=48
#SBATCH --constraint="[skylake|cascade]"
#SBATCH --time=24:00:00
module load arch/avx512
module load StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 gromacs/2023.2
export OMP_NUM_THREADS="${SLURM_CPUS_PER_TASK:-1}"
srun gmx_mpi mdrun