UNIX Binary Gaussian 16 Installation instructions. Check that you have the correct versions of the OS, and libraries for your machine, as listed in the file. I want to install Linux09 on Linux operating system. Linux Gaussian (Software). Here's how I installed gaussian09 on a ubuntu laptop: Unzipped the CD image.

Taken and modified from the README.BIN for my environment. This deserve hightlight for adminstrators to setup it quickly. • Check that you have the correct versions of the OS, and libraries for your machine, as listed in the website • Select or create a group (e.g. G09) which will own the Gaussian files inside the /etc/group. Users who will run Gaussian should either already be in this group, or should have this added to their list of groups.

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• Create a Directory to place g09 and gv (For example gaussian). You can do it by using a command mkdir gaussian • Mount the Gaussian CD using commands like this one mount /mnt/cdrom • Within the CD, you can copy the gaussian binary contents (E64_930N.TGZ) out into your newly created gaussian directory.

• Untar it by using the command tar -zxvf E64_930N.TGZ • Change ownership for the newly created g09 directory from step 6. Chgrp -Rv g09 g09 • Install cd g09./bsd/install • Set the environment for users login touch.login Place the below contents into the.login g09root=/usr/local/gaussian/ GAUSS_SCRDIR=/scratch/$USER export g09root GAUSS_SCRDIR.

$g09root/g09/bsd/g09.profile • Put it in your.bash_profile source.login Manual setup of TCP LINDA for Gaussian To configure for TCP Linda for Gaussian to run Parallel on Nodes, all you need is to tweak the ntsnet and LindaLauncher file found at g09 directory. For TCP Linda to work in Gaussian, just make sure the LINDA_PATH is correct. • ntsnet is found $g09root/ntsnet (where $g09root = /usr/local/gaussian/g09 in my installation) • LindaLauncher is found in $g09root/linda8.2/opteron-linux/bin/LindaLauncher (where $g09root = /usr/local/gaussian/g09 in my installation) • flc is found at $g09root/opteron-linux/bin/flc • pmbuild is found at $g09root/opteron-linux/bin/pmbuild • vntsnet is found at $g09root/opteron-linux/bin/vntsnet LINDA_PATH=/usr/local/gaussian/g09/linda8.2/opteron-linux/ Auto-Install for Gaussian.

This can also be found at # cd /usr/local/gaussian/g09 #./bsd/install Put the.tsnet.config in your home directory. # touch.tsnet.config Tsnet.Appl.nodelist: Tsnet.Appl.verbose: True Tsnet.Appl.veryverbose: True Tsnet.Node.lindarsharg: ssh Tsnet.Appl.useglobalconfig: True.

Linux machines in Chemistry Within the Department of Chemistry this package is installed on all but can only be used by who have contributed to the cost of the software. Access is controlled by membership of the gaussian09 Unix group. If you are a member of the Department of Chemistry and your group would like to get access to the Linux software please email for the price, which is per-group and covers as many machines as you want provided they are physically located at the University. Members of groups who have contributed to the cost of the Linux software may also install it on unmanaged Linux machines physically located within the University. Please see for details. Macs in Chemistry Within the Department of Chemistry this package may also be installed on Macs that are physically located within the University.

Please see for details. Gaussian 09 in other parts of the University The University as a whole has a site licence for Gaussian 09 for both Linux and Mac. This licence was not arranged by the Department of Chemistry. The information is posted here in the hope that it helps would-be users of Gaussian in the University.

Media to go with this licence have to be purchased directly from Gaussian Inc. Other software from Gaussian The University also has a site licence for Gaussian 03 for Linux. Within the Department of Chemistry Gaussian 03 is installed on all and can be used by anyone in the department. See for details. The University also has a site licence for for Linux. Within the Department of Chemistry this is available to groups who helped fund it. The University also has a site licence for Gaussview 5 and 6 for Linux and Mac.

For use within the department of Chemistry please see. Gaussian09 group Access to Gaussian 09 is restricted by a nested group which is stored in for most machines. Some of the clusters have the group locally. New users are supposed to be added automatically. If a new research group contributes to the cost of media, add their '-users' group to the gaussian09 group in AD.

Installing I followed the installation instructions by translating them into bash. It is necessary to have certain environment variables set for Gaussian to run (and on my system they didn't quite match the ones in the install instructions).

They are GAUSS_EXEDIR, GAUSS_SCRDIR, and g09root. The gaussian modulefile is mildly interesting in that it works out the correct per-user scratch directory.