Translations:GROMACS/58/fr
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{{File
|name=gromacs_job.sh |lang="sh" |contents=
- !/bin/bash
- SBATCH --nodes=1 # number of Nodes
- SBATCH --tasks-per-node=32 # number of MPI processes per node
- SBATCH --mem-per-cpu=4000 # memory limit per CPU (megabytes)
- SBATCH --time=24:00:00 # time limit (D-HH:MM:ss)
module purge module load StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 gromacs/2023.2 export OMP_NUM_THREADS="${SLURM_CPUS_PER_TASK:-1}"