Difference between revisions of "VASP SLURM"
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| − | [[ | + | [[VASP|back to the VASP page]] |
| − | [[Category:Sofware]][[Category: | + | [[Category:Sofware]][[Category:Scheduler]] |
= Sample Job Script for Parallel Run = | = Sample Job Script for Parallel Run = | ||
| − | < | + | <pre> |
#!/bin/bash | #!/bin/bash | ||
#SBATCH --job-name=<JOBNAME> | #SBATCH --job-name=<JOBNAME> | ||
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srun --mpi=pmix vasp_std | srun --mpi=pmix vasp_std | ||
| − | </ | + | </pre> |
Latest revision as of 21:20, 2 August 2021
Sample Job Script for Parallel Run
#!/bin/bash #SBATCH --job-name=<JOBNAME> #SBATCH --mail-user=<EMAIL> #SBATCH --mail-type=ALL #SBATCH --output <my_job-%j.out> #SBATCH --error <my_job-%j.err> #SBATCH --nodes=1 #SBATCH --ntasks=16 #SBATCH --cpus-per-task=1 #SBATCH --ntasks-per-socket=8 #SBATCH --distribution=cyclic:cyclic #SBATCH --mem-per-cpu=2G #SBATCH --time=04:00:00 module purge module load intel/2018 openmpi/3.0.0 vasp/5.4.4 srun --mpi=pmix vasp_std
