Updated 2019-06-24

quantumEspresso.pbs

#PBS -N qespressoTest
#PBS -l nodes=1:ppn=2
#PBS -l pmem=2gb
#PBS -l walltime=3:00
#PBS -q force-6
#PBS -j oe
#PBS -o qespressoTest.out

cd $PBS_O_WORKDIR
module load gcc/4.9.0
module load mvapich2/2.1
module load mkl/11.2
module load espresso/6.2.1

pw.x <input.in> output.out