Multiwfn forum

aitouna

Member

Registered: 2019-10-27

Posts: 20

Gaussview installation on linux

Dear Professor Tian LU,
First, I would like to express my thankfulness and appreciation, for your effective and very easy method to install Gaussian09 on linux OS, after a long search in the internet for a good method without finding a useful one.

I have some questions about running jobs on Gaussian09 on linux, because it's the first time i use the Gaussian09 on linux system.

* I run my frst input file by typing on the terminal : g09 file.gjf, and it's work good and i got normal termination. I would like to know how to run several input files at a time, and how to know the progress of the calculations ?

* How to install the Gaussview software on linux too ?

Sincerely,

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,773

Website

Re: Gaussview installation on linux

Move the "examples\runall.sh" in Multiwfn package to a folder, enter it and run ./runall.sh, then all .gjf files in current folder will be executed by g09 in turn. The runall.sh is a bash script file in Linux.

Installing gview in Linux is quite easy. I need to know the version of the gview you are using.

aitouna

Member

Registered: 2019-10-27

Posts: 20

Re: Gaussview installation on linux

I use the gaussview 5.0.9 version.

* Is there the possibility in linux the run a multiple input files at the same time ? in contrary to windows the calculation should finished for one input to start another.

Sincerely,

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,773

Website

Re: Gaussview installation on linux

Assume that the gview folder has been placed in /sob, then add below content to ~/.bashrc file:

export GV_DIR=/sob/gview
export LIBPATH=/sob/gview
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/sob/gview/lib
PATH=$PATH:/sob/gview
alias gv='gview.exe'

After re-entering the shell, you can boot up gview by inputting "gv".

There is no easy way to run multiple Gaussian input files at the same time using one command or one script.

aitouna

Member

Registered: 2019-10-27

Posts: 20

Re: Gaussview installation on linux

Dear Professor Tian Lu,
Thank you very much.

Sincerely,

aldimar

Member

Registered: 2020-04-14

Posts: 1

Re: Gaussview installation on linux

Dear professor Tian Lu, I'm trying to install gview version 6.0.16, but I'm not getting it. I tried the script you suggested above, for installing version 5.0.9, but it didn't work. Could you help me on how to install gview 6.0.16?

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,773

Website

Re: Gaussview installation on linux

For gview 6.0.16, assume that the gview folder is /sob/gview, simply adding

alias gv='/sob/gview/gv'

into ~/.bashrc file, after re-enter the shell, you can directly use "gv" command to boot up gview. This method works at least for CentOS 7.x.