GaussView-Teaching: Difference between revisions
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GaussView5 is installed in /usr/local/apps/eb/gaussian/09-Intel-SSE4_2/gv and /usr/local/apps/eb/gaussian/09-AMD-SSE4a/gv. | GaussView5 is installed in /usr/local/apps/eb/gaussian/09-Intel-SSE4_2/gv and /usr/local/apps/eb/gaussian/09-AMD-SSE4a/gv. | ||
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Please do not run GaussView directly on the login node. To run GaussView, please first start an interactive session using the '''xqlogin''' command, once the prompt on an interactive node is returned, load the gaussian module, source g09.profile, and then start GaussView, as described below. | Please do not run GaussView directly on the login node. To run GaussView, please first start an interactive session using the '''xqlogin''' command, once the prompt on an interactive node is returned, load the gaussian module, source g09.profile, and then start GaussView, as described below. | ||
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The interactive nodes on the teaching cluster are not yet configured to forward X11. You can run GaussView directly on the teaching cluster login node. | |||
Note that you will need to have your SSH configured to export X to your local machine. For more information on how to run remote X-windows applications, please see [[Connecting]] and our [[Frequently Asked Questions]]. '''Note for Windows users:''' If you are using Xming, you will also need to have Xming-mesa installed. | Note that you will need to have your SSH configured to export X to your local machine. For more information on how to run remote X-windows applications, please see [[Connecting]] and our [[Frequently Asked Questions]]. '''Note for Windows users:''' If you are using Xming, you will also need to have Xming-mesa installed. | ||
'''For | '''For Intel processors:''' | ||
The | The login nodes on the teaching cluster have Intel processors. | ||
Gaussian binaries optimized | Gaussian binaries optimized for Intel processors are installed in /usr/local/apps/eb/gaussian/09-Intel-SSE4_2/g09. To use GaussView with this version of Gaussian, please first load the gaussian/09-Intel-SSE4_2 module and source g09.profile with | ||
<pre class="gcommand"> | <pre class="gcommand"> | ||
module load gaussian/09- | module load gaussian/09-Intel-SSE4_2 | ||
. $g09root/g09/bsd/g09.profile | . $g09root/g09/bsd/g09.profile | ||
| Line 48: | Line 51: | ||
</pre> | </pre> | ||
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For more information on how to run interactive jobs, please see [https://wiki.gacrc.uga.edu/wiki/Running_Jobs_on_the_teaching_cluster#How_to_run_an_interactive_job_with_Graphical_User_Interface_capabilities How to run an interactive job with Graphical User Interface]. | For more information on how to run interactive jobs, please see [https://wiki.gacrc.uga.edu/wiki/Running_Jobs_on_the_teaching_cluster#How_to_run_an_interactive_job_with_Graphical_User_Interface_capabilities How to run an interactive job with Graphical User Interface]. | ||
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If you are having trouble with GaussView starting, with errors about X11 or "OpenGL is not available", or if you are on a Mac and the GaussView window does not display properly, please try to type the command below before invoking GaussView on the interactive node: | If you are having trouble with GaussView starting, with errors about X11 or "OpenGL is not available", or if you are on a Mac and the GaussView window does not display properly, please try to type the command below before invoking GaussView on the interactive node: | ||
Revision as of 16:35, 9 January 2019
Category
Chemistry
Program On
Teaching
Version
5
Author / Distributor
Description
From http://www.gaussian.com/g_tech/gv5ref/intro.htm: "GaussView is a graphical user interface designed to help you prepare input for submission to Gaussian and to examine graphically the output that Gaussian produces. GaussView is not integrated with the computational module of Gaussian, but rather is a front-end/back-end processor to aid in the use of Gaussian." For more information, please see http://www.gaussian.com/g_prod/gv5.htm.
NOTE: Users are required to sign a license agreement form before being allowed to run this software. Please fill out the GACRC Support Form to check if you have permission to use this software.
Running Program
Also refer to Running Jobs on the teaching cluster.
GaussView5 is installed in /usr/local/apps/eb/gaussian/09-Intel-SSE4_2/gv and /usr/local/apps/eb/gaussian/09-AMD-SSE4a/gv.
The interactive nodes on the teaching cluster are not yet configured to forward X11. You can run GaussView directly on the teaching cluster login node.
Note that you will need to have your SSH configured to export X to your local machine. For more information on how to run remote X-windows applications, please see Connecting and our Frequently Asked Questions. Note for Windows users: If you are using Xming, you will also need to have Xming-mesa installed.
For Intel processors:
The login nodes on the teaching cluster have Intel processors.
Gaussian binaries optimized for Intel processors are installed in /usr/local/apps/eb/gaussian/09-Intel-SSE4_2/g09. To use GaussView with this version of Gaussian, please first load the gaussian/09-Intel-SSE4_2 module and source g09.profile with
module load gaussian/09-Intel-SSE4_2 . $g09root/g09/bsd/g09.profile gview.csh
If you are having trouble with GaussView starting, with errors about X11 or "OpenGL is not available", or if you are on a Mac and the GaussView window does not display properly, please try to type the command below before invoking GaussView on the interactive node:
export USE_MESAGL=1
Documentation
Installation
Installed in /usr/local/apps/eb/gaussian/09-Intel-SSE4_2/gv and /usr/local/apps/eb/gaussian/09-AMD-SSE4a/gv.
System
64-bit Linux