#!/bin/bash 
#PBS -S /bin/bash
#PBS -l walltime=72:00:00 
#PBS -l procs=12
#PBS -l pmem=400m 

module load application/espresso/6.0

cd $PBS_O_WORKDIR
echo "PWscf started at: `date`" 
mpiexec pw.x < pw.in > pw.out
echo "PWscf finished at: `date`"