Versions Compared

Version Old Version 6 New Version 7
Changes made by

Alexis Espinosa

Sarah Beecroft

Saved on

Key

  • This line was added.
  • This line was removed.
  • Formatting was changed.

...

Column
width900px


Code Block
languagebash
themeEmacs
titleListing 1. VASP example script
#!/bin/bash -l
#SBATCH --job-name=something
#SBATCH --ntasks=128
#SBATCH --ntasks-per-node=128
#SBATCH --cpus-per-task=1
#SBATCH --partition=work
#SBATCH --exclusive
#SBATCH --account=[your-account]
#SBATCH --time=02:00:00
#SBATCH --nodes=1
 
#Swap programming environments as required
module load vasp/5.4.4
 
ulimit -s unlimited
 
srun -N 1 -c 1 -n 128 vasp_std > vasp.log


The ulimit command is required because VASP uses a large amount of stack memory in addition to heap memory.  This does not unlock more physical memory.

...