#!/bin/bash
#SBATCH --account=rrg-jerzy-ab
#SBATCH --nodes=3                # Number of nodes
#SBATCH --ntasks-per-node=32     # MPI tasks per node
#SBATCH --mem=0                  # all memory on node 
#SBATCH --time=1-00:00           # time (DD-HH:MM)


module load quantumespresso/6.3

echo "PWscf started at: `date`" 
srun pw.x < scf.in  > scf.out