#!/bin/tcsh
#SBATCH -J job_name
#SBATCH --mail-user=jir520@mail.usask.ca
#SBATCH --mail-type=END
#SBATCH --nodes=2
#SBATCH --ntasks-per-node=32
#SBATCH --mem-per-cpu=0
#SBATCH --time=00-04:00
#SBATCH --account=def-jerzy
 
 
module load quantumespresso/6.3

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