SunlightHNC

Overview

SunlightHNC is a general purpose hypernetted chain (HNC) integral equation code.

Version 1.9 beta is installed on the CSF.

Restrictions on use

This is open source software, all users of the CSF may use it.

Set up procedure

To access the software you must first load the modulefile:

module load apps/gcc/sunlighthnc/1.9beta

Running the application

Please do not run sunlightHNC on the login node. Jobs should be submitted to the compute nodes via batch.

Serial batch job submission

Make sure you have the modulefile loaded then create a batch submission script. Please adapt the below skeleton script below appriopriately.

#!/bin/bash
#$ -S /bin/bash
#$ -cwd             # Job will run from the current directory
#$ -V               # Job will inherit current environment settings

APP arg1 arg2 > out.log

Submit the jobscript using:

qsub scriptname

where scriptname is the name of your jobscript.

Further info

• SunlightHNC github site
• PDF Documentation

Updates

None.