Gaussian

Gaussian is a software package for electronic structure calculations.

Submitting Gaussian jobs on HPCC Apollo

For using a single compute node, please see the following script. This script will allow the Gaussian job to run on 4 processors and to use 3GB of RAM and a local scratch folder. To submit the job, modify the script as needed and type:

bsub < script

To specify on which node to run the job, use (with apollo42 as an example):

bsub -m apollo42 < script