#!/bin/bash

#SBATCH --account=rrg-jerzy-ab
#SBATCH --nodes=1                # Number of nodes
#SBATCH --ntasks-per-node=32     # MPI tasks per node
#SBATCH --mem=0                  # all memory on node 
#SBATCH --time=00-01:00          # time (DD-HH:MM)

# Load the modules:

module load gcc/5.4.0

module load quantumespresso/6.3

echo "PWscf started at: `date`"

srun -n 32  pw.x -npool 32 < nscf.in > nscf.out

srun -n 32 epw.x -npool 32 < epw.in > epw.out

echo "Program finished with exit code $? at: `date`"