PBS and Job file for GSFE

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PBS Submission Script

Purpose

• This script submits a job to the RAPTOR cluster at MSU

Implementation

• Edit the name of the output, the name of the GSFE curve generation script, and number of processors.

#PBS -N <name of output files>
#PBS -l nodes=1:ppn=4 
#PBS -l walltime=48:00:00
#PBS -q q64p48h@raptor
#PBS -mea
#PBS -r n
#PBS -V
cd $PBS_O_WORKDIR

./<name of GSFE generation script> <no. of processors>

Job Script

Purpose

• Contains the path to the VASP executable and a command to open memory allocation.

Implementation

• Edit the path to the VASP executable.

#!/bin/bash
ulimit -s unlimited
<Absolute path of VASP exe>