1) Setup campus grid account
Go to http://www.unr.edu/it/research-resources/the-grid
fill out the two forms on the page, stating you want to use Gaussian, and email them back to Grid@unr.edu
2) request to be added to the Gaussian Group at jra@unr.edu or Grid@unr.edu if you where not added to the gaussian users group
After you login type groups at the prompt it should list gaussian
If you're not in the gaussian group and you use the command g09 it will state command unknown
3)
a) Windows users: Install Putty, http://www.putty.org/, on your computer and configure it
use ssh
use port 22
use login.research.unr.edu
use your netid and password
b) mac users
open a terminal and use ssh and sftp
for example ssh smspain@login.research.unr.edu
4) use this basic script for job submission (type it into a text file using nano, vi, etc... and save it)
# RUN ALL JOBS UNDER SCRATCH
# IF YOU NEED EXTRA SPACE, SEND EMAIL TO grid@unr.edu or jra@unr.edu
##$ -pe SharedMem 4 this is the number of processors per node that you need (so e.g. 1, 2, 3, …. 16)
#!/bin/bash
#$ -N yourJobName
#$ -cwd
#$ -pe SharedMem 4
echo "Current working directory is $(pwd)"
echo "Running on $(hostname)"
echo "Starting run at: $(date)"
module load gaussian/g09
g09 inputFile.gjf output.out
5) submit your job to the queue
type qsub scriptname
used whatever name you gave to the script in step (4)
if you want to run under scratch then type cd scratch then qsub scriptname (assuming you've moved you inputfile and script to the scratch directory)
6) monitor you submission using qstat
under state r is running
under state qw is waiting and queued
7) grab a copy of Avogadro for visualization and input file creation