View source for PBS and Job file for GSFE

[[Al P6-DFT|< Back to GSFE Curve]]

=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.
<pre>
#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>
</pre>

=Job Script=
==Purpose==
* Contains the path to the [[Code: VASP|VASP]] executable and a command to open memory allocation.
==Implementation==
*Edit the path to the [[Code: VASP|VASP]] executable.

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