Versions Compared

Key

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

...

Column
width900px


Code Block
languagebash
themeEmacs
titleListing 1. Example Slurm batch script to run NWChem
#!/bin/bash --login
#SBATCH --nodes=2
#SBATCH --ntasks=256
#SBATCH --exclusive
#SBATCH --time=01:00:00
#SBATCH --account=[your-project]
#SBATCH --export=NONE    
#SBATCH --cpus-per-task=1


module load nwchem/7.0.2

srun -n 256 -N 2 -c 1 nwchem > nwchem.output 2>&1


...