¶ Gaussian and GaussView
¶ Introduction
Gaussian is a computer program used by chemists, chemical engineers, biochemists, physicists and other scientists. It provides various quantum chemistry and methods based on (or derived from) quantum mechanics to predict energies, molecular structures, spectroscopic data (NMR, IR, UV, etc) and much more advanced calculations. To learn more about Gaussian and how to use it on ODU clusters, please see the wiki page for Gaussian.
Gaussview provides a graphical interface to be used with the Gaussian software. It allows users to build the molecules, set up calculations, and analyze the resuts from an intuitive GUI.
¶ Using GaussView
Guassview is a graphical software and thus needs to be used from the GUI interface of the cluster.
¶ Connecting to the cluster
Please connect to the cluster using the RDP client, following the RDP connection instructions instructions on our Getting Started web page. Alternateively, you can also try the virtual desktop on Wahab's Open OnDemand interface.
¶ Running Gaussview
These instructions will work on the both cluster.
You can then run the Gaussview software using the gview command on login node, i.e. wahab-01, turing1.
jpratt@wahab-01:~/Desktop$ gview
This will load the Gaussview software and the graphical interface will pop up.
