Table of Content

Installation Of Gaussview 66
Gaussview 6 Linux Download

Versions and Availability

▶ Display Softenv Keys for gaussview on all clusters

Machine	Version	Softenv Key
supermike2	5.0.8	+gaussview-5.0.8

Gaussian 16 and GaussView 6 Explore New Substances and Environments: Green Fluorescent Protein GFP is a protein that fluoresces bright green when exposed to light in the blue-to-ultraviolet range. The chromophore is shown in the inset above. The molecule was first isolated in the jellyfish species, which is native to the Pacific Aequorea victoria.

▶ Softenv FAQ?

In this lecture at the 2014 summer school at the Max Planck Institute for Chemical Energy Conversion Frank Wennmohs introduces ORCA. He describes the install. GaussView 6.0.16 is available as a free download on our software library. The software belongs to Education Tools. Our built-in antivirus checked this download and rated it as 100% safe. The program's installer files are commonly found as gview.exe, Icon85769AC61.exe or SSW51AA2715EA.exe etc.

Since Fall 2018, SoftEnv has no longer been supported by HPC@LSU,and it is very unlikely that it will be brought back in the future. Therefore,all HPC users should use Modules to add/remove softwarepackages in their work environment from now on. For advice or additional information,contactsys-help@loni.org

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Shells

A user may choose between using /bin/bashand /bin/tcsh. Details about each shell follows.

/bin/bash

System resource file: /etc/profile

When one access the shell, the following user files are read in ifthey exist (in order):

~/.bash_profile (anything sent to STDOUT or STDERR will cause things like rsync to break)
~/.bashrc (interactive login only)
~/.profile

When a user logs out of an interactive session, thefile ~/.bash_logout is executed if it exists.

The default value of the environmental variable, PATH, isset automatically using SoftEnv. See below for moreinformation.

/bin/tcsh

The file ~/.cshrc is used to customize the user'senvironment if his login shell is /bin/tcsh.

SoftEnv

SoftEnv is a utility that is supposed to help users manage complexuser environments with potentially conflicting application versionsand libraries.

System Default Path

When a user logs in, the system /etc/profileor /etc/csh.cshrc (depending on login shell, and mirroredfrom csm:/cfmroot/etc/profile)calls /usr/local/packages/softenv-1.6.2/bin/use.softenv.sh toset up the default path via the SoftEnv database.

SoftEnv looks for a user's ~/.soft file and updates thevariables and paths accordingly.

Viewing Available Packages

The command softenv will provide a list ofavailable packages. The listing will look something like:

Managing SoftEnv

The file ~/.soft in the user's home directory is wherethe different packages are managed. Add the +keyword into your .softfile. For instance, ff one wants to add the Amber Molecular Dynamicspackage into their environment, the end of the .soft file should looklike this:

+amber-8

@default

To update the environment after modifying this file, one simplyuses the resoft command:

The command soft can be used to manipulate the environmentfrom the command line. Hacks for roblxo mac. It takes the form:

Using this method of adding or removing keywords requires the userto pay attention to possible order dependencies. That is, best resultsrequire the user to remove keywords in the reverse order in which theywere added. It is handy to test out individual keys, but can lead totrouble if changing multiple keys. Changing the .soft file andissuing the resoft is the recommended way of dealing withmultiple changes.

▶ Display Module Names for gaussview on all clusters.

Machine	Version	Module
supermike2	5.0.8	gaussview/5.0.8

▶ Module FAQ?

The information here is applicable to LSU HPC and LONI systems.

h4

Shells

A user may choose between using /bin/bashand /bin/tcsh. Details about each shell follows.

/bin/bash

System resource file: /etc/profile

When one access the shell, the following user files are read in ifthey exist (in order):

~/.bash_profile (anything sent to STDOUT or STDERR will cause things like rsync to break)
~/.bashrc (interactive login only)
~/.profile

When a user logs out of an interactive session, thefile ~/.bash_logout is executed if it exists.

The default value of the environmental variable, PATH, isset automatically using Modules. See below for moreinformation.

/bin/tcsh

The file ~/.cshrc is used to customize the user'senvironment if his login shell is /bin/tcsh.

Modules

Modules is a utility which helps users manage the complex businessof setting up their shell environment in the face of potentiallyconflicting application versions and libraries.

Default Setup

When a user logs in, the system looks for a file named .modulesin their home directory. This file contains module commands toset up the initial shell environment.

Viewing Available Modules

The command

displays a list of all the modules available. The list will looksomething like:

The module names take the form appname/version/compiler,providing the application name, the version, and information about howit was compiled (if needed).

Managing Modules

Besides avail, there are other basic module commands to use formanipulating the environment. These include:

The -h option to module will list all available commands.

▶ Did not find the version you want to use??

If a software package you would like to use for your research is not available on a cluster, you can request it to be installed. The software requests are evaluated by the HPC staff on a case-by-case basis. Before you send in a software request, please go through the information below.

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Types of request

Depending on how many users need to use the software, software requests are divided into three types, each of which corresponds to the location where the software is installed:

The user's home directory

Software packages installed here will be accessible only to the user.
It is suitable for software packages that will be used by a single user.
Python, Perl and R modules should be installed here.

/project

Software packages installed in /project can be accessed by a group of users.
It is suitable for software packages that
- Need to be shared by users from the same research group, or
- are bigger than the quota on the home file syste.
This type of request must be sent by the PI of the research group, who may be asked to apply for a storage allocation.

/usr/local/packages

Software packages installed under /usr/local/packages can be accessed by all users.
It is suitable for software packages that will be used by users from multiple research groups.
This type of request must be sent by the PI of a research group.

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How to request

Please send an email to sys-help@loni.org with the following information:

Your user name
The name of cluster where you want to use the requested software
The name, version and download link of the software
Specific installation instructions if any (e.g. compiler flags, variants and flavor, etc.)
Why the software is needed
Where the software should be installed (locally, /project, or /usr/local/packages) and justification explaining how many users are expected.

Please note that, once the software is installed, testing and validation are users' responsibility.

About the Software

A graphical user interface designed to help prepare input for submission to

Installation Of Gaussview 6