Select Page

29-10-2013

Academics who currently support Gaussian are :

Johannes Reynisson  j.reynisson@auckland.ac.nz ext 83746
Tilo Soehnel t.soehnel@auckland.ac.nz  ext 89722
Both are located On the 3rd floor of Building 529 Grafton (The Old Liggins Building)

Background Information:

Gaussian is a molecular modelling program that is extensively used by Computational Chemists.
We now have site licenses for 32 and 64 bit Windows and Linux versions. Spartan is similar software except for being windows based and therefor more suitable for the teaching computer setups. Spartan is on a flexlm license with a dongle on the license server.

Gaussian uses memory in proportion to the  complexity and size of the molecules that it is modelling.
By an large it needs at least 4gb of ram on i86 machines and ideally needs 16gb to be really useful for larger
molecules.  This means that the 32 bit versions of the software are of limited value. SIT currently has the installation
for the Windows versions only. The CD’s for the Linux versions can be obtained from Johannes or Tilo.

Installation

Gaussian is made up of two parts:

– The Gaussian Computation Program – G09W
– The Gauss Viewer Program for viewing the output of the computations.

The installation files for the windows versions are located here
\scidrive.auckland.ac.nzSIT$softwareChemistrySoftwareGaussian
 The directories within this Gaussian Driectory are :

09W Utilities  – This is a minimum set of  files necessary for GaussView to run it is seldom installed
as most people want the full G09W program installed and these files are contained in the main program.

G09W-Win32  – The main Gaussian install files for 32 bit version
G09W-Win64  – The main Gaussian install files for 32 bit version
GaussView  – The Viewer for Viewing Output the files are in the’ rev 5.08′ directory. This is used on both
64 and 32 bit systems. (it runs on both)

NOTE : – G09W must be installed before GaussView otherwise GaussView will not work.

Each Directory contains the appropriate License.text for the module – each module has a
separate serial number and you must use the appropriate number for the module you are installing.

Typically, on a 64 bit installation, you run the setup.exe within the G09W-Win64 and use the serial number
from the license.txt in that directory.
Then Run The GaussViewRev 5.0.8setup.exe and use the Serial number from within the license.txt
in this directory.

A A window will pop up, fill out the details as follows:

Name :  School of Chemical Sciences
Company : The University of Auckland
Serial number : the appropriate Serial number Copied from the license.txt file.

 If successful another window will pop up with a window saying that the Licence is valid.

Continue until installed.

Test that the programs run.

If the GaussView cannot find the G09W files you will have to repeat the process
(This happens if you install the GaussView before G09W progrm)

NB: I have successfully installed it on Windows 8.1 64 bit.

 

 

 

 

Skip to toolbar