GULP¶
The General Utility Lattice Program (GULP) is designed to perform a variety of tasks based on force field methods.
GULP is available as a module on Apocrita.
Usage¶
To run the default version of GULP, simply load the gulp module.
module load gulp
gulp
Example job¶
Serial job¶
Here is an example job running on 1 core and 2GB of memory:
#!/bin/bash
#$ -cwd
#$ -j y
#$ -pe smp 1
#$ -l h_rt=1:0:0
#$ -l h_vmem=2G
module load gulp
gulp < INPUTFILE > OUTPUTFILE