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#!/bin/bash
#PBS -N vaspstd
#PBS -m abe
#PBS -M mark.riley@griffithuniYourEmail@griffithuni.edu.au
#PBS -l select=1:ncpus=1:mem=18gb,walltime=96:00:00
module load vasp/vasp541-gnu-openmpi
alias vasp="vasp_std"
cd $PBS_O_WORKDIR
vasp_std;