Open a terminal window, and type the following command at the local machine prompt to both login to Emerald and to allow X display on the local machine from the Emerald cluster:

ssh -X emerald.unc.edu

If this command does not allow you to correctly display GaussView, your machine may support the -Y option, which is not as secure as the -X option:

ssh -Y emerald.unc.edu

By using these commands for X11 forwarding, you do not need to worry about setting your DISPLAY environment variable.

At the Linux machine prompt, type the following command. Skip this step if you have done it before.

ipm add gaussian

The shell script (public/.pkg.cshrc) in the home directory is then modified. The PATH to access GaussView and all necessary environment variables are set up properly.

To check if your startup scripts have been setup for GaussView, type the following command at the prompt.

ipm query

A line "gaussian" is shown which indicates that the environment for GaussView is already set.

After the PATH and environment variables for GaussView are set up properly, GaussView can then be accessed. At the Linux machine prompt, type the following LSF command to invoke the software. The int queue will allow the program to run in interactive mode for 10 hours.

bsub -q int -R blade -Ip gaussview

where "blade" is one of the resource names on Emerald.

For bigger systems and more intensive calculations, the P575 AIX machines on the Emerald cluster will be the most appropriate servers to use. The P575 machines have larger memories, from 20GB to 60GB, in comparison to the Linux nodes on Emerald and will be able to handle the requirements of very large jobs. More information regarding the P575 server on Emerald can be found at the [ http://help.unc.edu/?id=6020#d0e993 ] High Memory/AIX Resources section of the [ http://help.unc.edu/?id=6020 ] Getting Started on Emerald help page. The P575 AIX machines can be used for interactive jobs through the following bsub command:

bsub -R p5aix -q int -Ip gaussview

where "p5aix" is the resource name for the P575 machine on Emerald.