Difference between revisions of "VASP SLURM"

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m (Text replacement - "Category:SLURM" to "Category:Scheduler")
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[[Category:Sofware]][[Category:Scheduler]]
 
[[Category:Sofware]][[Category:Scheduler]]
 
= Sample Job Script for Parallel Run =
 
= Sample Job Script for Parallel Run =
<source lang=bash>
+
<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  
  
</source>
+
</pre>

Revision as of 21:20, 2 August 2021

back to the VASP page

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