#!/bin/bash -x #SBATCH -J 4x48 #SBATCH --account=<PROJECT_ID> #SBATCH --nodes=4 #SBATCH --ntasks-per-node=48 #SBATCH --time=00:30:00 #SBATCH --partition=batch source $HOME/lib/gpaw-1.1.0/load.sh srun gpaw-python input.py
