GaussView-Sapelo2 - Revision history

Shtsai at 00:42, 5 April 2026

2026-04-05T00:42:09Z

← Older revision		Revision as of 20:42, 4 April 2026
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	[[Category:Sapelo2]][[Category:Software]][[Category:Chemistry]]		[[Category:Sapelo2]][[Category:Software]][[Category:Chemistry]]
	=== Category ===		== Category ==

	Chemistry		Chemistry

	=== Program On ===		== Program On ==

	Sapelo2		Sapelo2

	=== Version ===		== Version ==

	5, 6.1		5, 6.1

	=== Author / Distributor ===		== Author / Distributor ==

	See http://www.gaussian.com		See http://www.gaussian.com

	=== Description ===		== Description ==

	"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 and https://gaussian.com/gv6main/		"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 and https://gaussian.com/gv6main/
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	'''NOTE''': Users are required to sign a license agreement form before being allowed to run this software. Please fill out the [http://help.gacrc.uga.edu/ GACRC Support Form] to check if you have permission to use this software.		'''NOTE''': Users are required to sign a license agreement form before being allowed to run this software. Please fill out the [http://help.gacrc.uga.edu/ GACRC Support Form] to check if you have permission to use this software.

	=== Running Program ===		== Running Program ==

	Also refer to [[Running Jobs on Sapelo2]].		Also refer to [[Running Jobs on Sapelo2]].
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	Please do not run GaussView directly on the login node. Options to run GaussView on Sapelo2:		Please do not run GaussView directly on the login node. Options to run GaussView on Sapelo2:

	====Option 1: Run GaussView via Open OnDemand (Recommended method)====		===Option 1: Run GaussView via Open OnDemand (Recommended method)===

	GaussView is available as an interactive application on Sapelo2's Open OnDemand interface. Please refer to the [[OnDemand]] documentation to see how to access this interface.		GaussView is available as an interactive application on Sapelo2's Open OnDemand interface. Please refer to the [[OnDemand]] documentation to see how to access this interface.
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	GaussView can be used to create input files that are then used to run Gaussian jobs, submitted separately as batch jobs on Sapelo2.		GaussView can be used to create input files that are then used to run Gaussian jobs, submitted separately as batch jobs on Sapelo2.

	====Option 2: Run GaussView with X11-forwarding====		===Option 2: Run GaussView with X11-forwarding===

	GaussView can be run with X11 forwarding, but this method does not work as well as via the Open OnDemand interface (option 1 above). To use X11 forwarding, ssh into sapelo2 and start an interactive session using the '''xqlogin''' command (or '''interact -x11'''). Once the prompt on an interactive node is returned, you can check the processor type with the command		GaussView can be run with X11 forwarding, but this method does not work as well as via the Open OnDemand interface (option 1 above). To use X11 forwarding, ssh into sapelo2 and start an interactive session using the '''xqlogin''' command (or '''interact -x11'''). Once the prompt on an interactive node is returned, you can check the processor type with the command
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	</pre>		</pre>

	=== Documentation ===		== Documentation ==

	http://www.gaussian.com		http://www.gaussian.com

	=== Installation ===		== Installation ==

	*Version 5 installed for Gaussian09 in /apps/eb/gaussian/09-Intel-SSE4_2/gv and /apps/eb/gaussian/09-AMD-SSE4a/gv.		*Version 5 installed for Gaussian09 in /apps/eb/gaussian/09-Intel-SSE4_2/gv and /apps/eb/gaussian/09-AMD-SSE4a/gv.
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	*Version 6.1 is installed with Gaussian 16, in /apps/eb/gaussian/16-AVX2/gv, /apps/eb/gaussian/16-AVX/gv, and /apps/eb/gaussian/16-SSE4/gv.		*Version 6.1 is installed with Gaussian 16, in /apps/eb/gaussian/16-AVX2/gv, /apps/eb/gaussian/16-AVX/gv, and /apps/eb/gaussian/16-SSE4/gv.

	=== System ===		== System ==
	64-bit Linux		64-bit Linux

Shtsai at 17:24, 16 June 2025

2025-06-16T17:24:49Z

← Older revision		Revision as of 13:24, 16 June 2025
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	=== Description ===		=== 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.		"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 and https://gaussian.com/gv6main/

	'''NOTE''': Users are required to sign a license agreement form before being allowed to run this software. Please fill out the [http://help.gacrc.uga.edu/ GACRC Support Form] to check if you have permission to use this software.		'''NOTE''': Users are required to sign a license agreement form before being allowed to run this software. Please fill out the [http://help.gacrc.uga.edu/ GACRC Support Form] to check if you have permission to use this software.

Shtsai: /* Option 1: Run GaussView via Open OnDemand (Recommended method) */

2022-12-22T19:10:24Z

Option 1: Run GaussView via Open OnDemand (Recommended method)

← Older revision		Revision as of 15:10, 22 December 2022
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	Once you login into Open OnDemand, you can start a GaussView interactive application. Then select the GaussView version and the resources to allocate to this job (application). Submit the request. Once the resources are allocated to the application, click Launch to start the GaussView GUI.		Once you login into Open OnDemand, you can start a GaussView interactive application. Then select the GaussView version and the resources to allocate to this job (application). Submit the request. Once the resources are allocated to the application, click Launch to start the GaussView GUI.

			GaussView can be used to create input files that are then used to run Gaussian jobs, submitted separately as batch jobs on Sapelo2.

	====Option 2: Run GaussView with X11-forwarding====		====Option 2: Run GaussView with X11-forwarding====

Shtsai at 19:04, 22 December 2022

2022-12-22T19:04:04Z

← Older revision		Revision as of 15:04, 22 December 2022
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	Please do not run GaussView directly on the login node. Options to run GaussView on Sapelo2:		Please do not run GaussView directly on the login node. Options to run GaussView on Sapelo2:

	~~'''~~Option 1: Run GaussView via Open OnDemand (Recommended method)~~'''~~		====Option 1: Run GaussView via Open OnDemand (Recommended method)====

	GaussView is available as an interactive application on Sapelo2's Open OnDemand interface. Please refer to the [[OnDemand]] documentation to see how to access this interface.		GaussView is available as an interactive application on Sapelo2's Open OnDemand interface. Please refer to the [[OnDemand]] documentation to see how to access this interface.
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	Once you login into Open OnDemand, you can start a GaussView interactive application. Then select the GaussView version and the resources to allocate to this job (application). Submit the request. Once the resources are allocated to the application, click Launch to start the GaussView GUI.		Once you login into Open OnDemand, you can start a GaussView interactive application. Then select the GaussView version and the resources to allocate to this job (application). Submit the request. Once the resources are allocated to the application, click Launch to start the GaussView GUI.

	~~'''~~Option 2: Run GaussView with X11-forwarding~~'''~~

			====Option 2: Run GaussView with X11-forwarding====

	GaussView can be run with X11 forwarding, but this method does not work as well as via the Open OnDemand interface (option 1 above). To use X11 forwarding, ssh into sapelo2 and start an interactive session using the '''xqlogin''' command (or '''interact -x11'''). Once the prompt on an interactive node is returned, you can check the processor type with the command		GaussView can be run with X11 forwarding, but this method does not work as well as via the Open OnDemand interface (option 1 above). To use X11 forwarding, ssh into sapelo2 and start an interactive session using the '''xqlogin''' command (or '''interact -x11'''). Once the prompt on an interactive node is returned, you can check the processor type with the command

Shtsai at 19:01, 22 December 2022

2022-12-22T19:01:51Z

← Older revision		Revision as of 15:01, 22 December 2022
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	GaussView 6.1 is installed with Gaussian 16, in /apps/eb/gaussian/16-AVX2/gv, /apps/eb/gaussian/16-AVX/gv, and /apps/eb/gaussian/16-SSE4/gv.		GaussView 6.1 is installed with Gaussian 16, in /apps/eb/gaussian/16-AVX2/gv, /apps/eb/gaussian/16-AVX/gv, and /apps/eb/gaussian/16-SSE4/gv.

			Please do not run GaussView directly on the login node. Options to run GaussView on Sapelo2:

	~~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, you can check the processor type with the command		'''Option 1: Run GaussView via Open OnDemand (Recommended method)'''

			GaussView is available as an interactive application on Sapelo2's Open OnDemand interface. Please refer to the [[OnDemand]] documentation to see how to access this interface.

			Once you login into Open OnDemand, you can start a GaussView interactive application. Then select the GaussView version and the resources to allocate to this job (application). Submit the request. Once the resources are allocated to the application, click Launch to start the GaussView GUI.

			'''Option 2: Run GaussView with X11-forwarding'''

			GaussView can be run with X11 forwarding, but this method does not work as well as via the Open OnDemand interface (option 1 above). To use X11 forwarding, ssh into sapelo2 and start an interactive session using the '''xqlogin''' command (or '''interact -x11'''). Once the prompt on an interactive node is returned, you can check the processor type with the command
	<pre class="gcommand">		<pre class="gcommand">
	head -n 6 /proc/cpuinfo		head -n 6 /proc/cpuinfo
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	'''GAUSSVIEW 6.1 for GAUSSIAN 16'''		'''GAUSSVIEW 6.1 for GAUSSIAN 16'''


	We suggest using the version with AVX optimization that are installed in /apps/eb/gaussian/16-AVX/. To use GaussView with this version of Gaussian, please first load the gaussian/16-AVX module and source g16.profile with		We suggest using the version with AVX optimization that are installed in /apps/eb/gaussian/16-AVX/. To use GaussView with this version of Gaussian, please first load the gaussian/16-AVX module and source g16.profile with
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	For more information on how to run interactive jobs, please see [https://wiki.gacrc.uga.edu/wiki/Running_Jobs_on_Sapelo2#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_Sapelo2#How_to_run_an_interactive_job_with_Graphical_User_Interface_capabilities How to run an interactive job with Graphical User Interface].



	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:

Shtsai: /* Running Program */

2021-02-19T16:43:07Z

Running Program

← Older revision		Revision as of 12:43, 19 February 2021
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	'''GAUSSVIEW 6.1 for GAUSSIAN 16'''		'''GAUSSVIEW 6.1 for GAUSSIAN 16'''

	~~'''For Intel or AMD EPYC processors:'''~~

	~~If your xqlogin session landed on an Intel or an AMD EPYC processor, please note that~~		We suggest using the version with AVX optimization that are installed in /apps/eb/gaussian/16-AVX/. To use GaussView with this version of Gaussian, please first load the gaussian/16-AVX module and source g16.profile with
	~~Gaussian binaries optimized for processors~~ that ~~support AVX2~~ are installed in /apps/eb/gaussian/16-~~AVX2~~/. To use GaussView with this version of Gaussian, please first load the gaussian/16-~~AVX2~~ module and source g16.profile with

	<pre class="gcommand">		<pre class="gcommand">

	module load gaussian/16-~~AVX2~~		module load gaussian/16-AVX

	. $g16root/g16/bsd/g16.profile		. $g16root/g16/bsd/g16.profile
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	gview.sh		gview.sh
	</pre>		</pre>
	To use ~~AVX~~ or SSE4 optimized code, please load gaussian/16-AVX and gaussian/16-SSE4, respectively, instead of gaussian/16-AVX2.		To use AVX2 or SSE4 optimized code, please load gaussian/16-AVX and gaussian/16-SSE4, respectively, instead of gaussian/16-AVX2. But note that some xqlogin nodes do not support AVX2 optimization.

	~~If your~~ xqlogin ~~session landed on an AMD Opteron processor, please use the gaussian/16-AVX module~~.

	For more information on how to run interactive jobs, please see [https://wiki.gacrc.uga.edu/wiki/Running_Jobs_on_Sapelo2#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_Sapelo2#How_to_run_an_interactive_job_with_Graphical_User_Interface_capabilities How to run an interactive job with Graphical User Interface].

Shtsai: /* Running Program */

2021-02-19T16:39:31Z

Running Program

← Older revision		Revision as of 12:39, 19 February 2021
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	<pre class="gcommand">		<pre class="gcommand">
	head -n 6 /proc/cpuinfo		head -n 6 /proc/cpuinfo
	<pre> and then load the appropriate gaussian module, source g09.profile (for gaussian 09) or g16.profile (for gaussian 16), and then start GaussView, as described below.		</pre>
			and then load the appropriate gaussian module, source g09.profile (for gaussian 09) or g16.profile (for gaussian 16), and then start GaussView, as described below.

	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.

Shtsai: /* Running Program */

2021-02-19T16:39:14Z

Running Program

← Older revision		Revision as of 12:39, 19 February 2021
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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, you can check the processor type with the command ~~'''~~head -n 5 /proc/cpuinfo~~'''~~ and then load the appropriate gaussian module, source g09.profile (for gaussian 09) or g16.profile (for gaussian 16), 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, you can check the processor type with the command
			<pre class="gcommand">
			head -n 6 /proc/cpuinfo
			<pre> and then load the appropriate gaussian module, source g09.profile (for gaussian 09) or g16.profile (for gaussian 16), and then start GaussView, as described below.

	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.

Shtsai: Created page with "Category:Sapelo2Category:SoftwareCategory:Chemistry === Category === Chemistry === Program On === Sapelo2 === Version === 5, 6.1 === Author / Distributor..."

2021-02-19T16:35:51Z

Created page with "Category:Sapelo2 Category:Software Category:Chemistry === Category === Chemistry === Program On === Sapelo2 === Version === 5, 6.1 === Author / Distributor..."

New page

[[Category:Sapelo2]][[Category:Software]][[Category:Chemistry]]
=== Category ===

Chemistry

=== Program On ===

Sapelo2

=== Version ===

5, 6.1

=== Author / Distributor ===

See http://www.gaussian.com

=== 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 [http://help.gacrc.uga.edu/ GACRC Support Form] to check if you have permission to use this software.

=== Running Program ===

Also refer to [[Running Jobs on Sapelo2]].

'''Version 5'''
GaussView 5 is installed with Gaussian 09, in /apps/eb/gaussian/09-Intel-SSE4_2/gv and /apps/eb/gaussian/09-AMD-SSE4a/gv.

'''Version 6.1'''
GaussView 6.1 is installed with Gaussian 16, in /apps/eb/gaussian/16-AVX2/gv, /apps/eb/gaussian/16-AVX/gv, and /apps/eb/gaussian/16-SSE4/gv.

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, you can check the processor type with the command '''head -n 5 /proc/cpuinfo''' and then load the appropriate gaussian module, source g09.profile (for gaussian 09) or g16.profile (for gaussian 16), and then start GaussView, as described below.

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.

'''GAUSSVIEW 5 for GAUSSIAN 09'''

'''For AMD processors:'''

If your xqlogin session landed on an AMD processor, please note that Gaussian binaries optimized for AMD processors are installed in /apps/eb/gaussian/09-AMD-SSE4a/g09. To use GaussView with this version of Gaussian, please first load the gaussian/09-AMD-SSE4a module and source g09.profile with

<pre class="gcommand">

module load gaussian/09-AMD-SSE4a

. $g09root/g09/bsd/g09.profile

gview.csh
</pre>

'''For Intel processors:'''

If your xqlogin session landed on an Intel processor, please note that Gaussian binaries optimized for Intel processors are installed in /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">

module load gaussian/09-Intel-SSE4_2

. $g09root/g09/bsd/g09.profile

gview.csh
</pre>
For more information on how to run interactive jobs, please see [https://wiki.gacrc.uga.edu/wiki/Running_Jobs_on_Sapelo2#How_to_run_an_interactive_job_with_Graphical_User_Interface_capabilities How to run an interactive job with Graphical User Interface].

'''GAUSSVIEW 6.1 for GAUSSIAN 16'''

'''For Intel or AMD EPYC processors:'''

If your xqlogin session landed on an Intel or an AMD EPYC processor, please note that
Gaussian binaries optimized for processors that support AVX2 are installed in /apps/eb/gaussian/16-AVX2/. To use GaussView with this version of Gaussian, please first load the gaussian/16-AVX2 module and source g16.profile with

<pre class="gcommand">

module load gaussian/16-AVX2

. $g16root/g16/bsd/g16.profile

gview.sh
</pre>
To use AVX or SSE4 optimized code, please load gaussian/16-AVX and gaussian/16-SSE4, respectively, instead of gaussian/16-AVX2.

If your xqlogin session landed on an AMD Opteron processor, please use the gaussian/16-AVX module.

For more information on how to run interactive jobs, please see [https://wiki.gacrc.uga.edu/wiki/Running_Jobs_on_Sapelo2#How_to_run_an_interactive_job_with_Graphical_User_Interface_capabilities How to run an interactive job with Graphical User Interface].

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:
<pre class="gcommand">
export USE_MESAGL=1
</pre>

=== Documentation ===

http://www.gaussian.com

=== Installation ===

*Version 5 installed for Gaussian09 in /apps/eb/gaussian/09-Intel-SSE4_2/gv and /apps/eb/gaussian/09-AMD-SSE4a/gv.

*Version 6.1 is installed with Gaussian 16, in /apps/eb/gaussian/16-AVX2/gv, /apps/eb/gaussian/16-AVX/gv, and /apps/eb/gaussian/16-SSE4/gv.

=== System ===
64-bit Linux