Examples

General Information before Proceeding

I will be adding examples for frank.sam.pitt.edu and mpi.sam.pitt.edu located: /ihome/sam/bmooreii/examples, please check this out before posting tickets core. I will try to add as much detail as possible, but refer to the specific code documentation for input files. If you don't know how to run, monitor, or cancel jobs on these clusters please review Running Jobs.

Gaussian (frank)

First, copy the input files to some directory where you would like to try Gaussian.

cp /ihome/sam/bmooreii/examples/frank/gaussian/* .

You should now have 2 files in your directory: water.g09 and water.pbs. The former being a Gaussian input file and the latter a submission script. Take a look at the water.pbs file for information about the batch submission file.