Job Script Examples
bla
#!/bin/bash #SBATCH -t 12:00:00 #SBATCH -N 2 #SBATCH --tasks-per-node 96 module load anaconda3/2019.10 module load ase/3.19.1 module load impi/2019.5 module load gpaw/20.1.0 export SLURM_CPU_BIND=none mpirun gpaw python my_input_script.py