How to install Gaussian 09 D.01 or 16 A.03 on Ubuntu 16.04

The only dependency needed will be csh and the build-tools, that are by default included in ubuntu desktop. These instructions are applicable to 64 bit UNIX binaries. You can apply the following instructions to Gaussian 16 installation by simply substitute 09 with 16.

sudo apt update
sudo apt install csh

We will insert the environment variables (NOTE: don't place "/" at the end of each directory):

setenv mntpnt "/media/$user/CDROM" #where the installation cd will be mounted, replace $user with yours
setenv g09root "/home/$user" #set the install location, I like to use my home folder as it keeps by default user and group ownerships

Now that the variables are set we will extract the package in gaussian09 root directory.

cd $g09root
gunzip -c $mntpnt/tar/*.tgz | tar xvf -
chgrp -R $userGroup g09 #replace with the group of the previously defined $user
cd g09

To run the program we will create a file called ".login" in the g09 folder with additional environment variables. Write the following:

export g09root GAUSS_SCRDIR
. $g09root/g09/bsd/g09.profile

Now import it to your bash profile

source .login

At this point the application is working if you go to the location /home/$user/g09 and source the .login file. But the sh will "forget" these variables at every new session. This is really not cool at all. We will try to make that as painless as possible:

cd $HOME
nano .bash_alianses

And write the following:

alias sourceg09="source /home/$user/g09/.login"

At this point everytime you open a new terminal window is enough to type "sourceg09" to source the .login file.

PS: I tried to install both 09 and 16 on the same machine and I runned into a problem at the time of recording the variable g16root. First follow in order all the instruction and at the end edit the ".profile" file in the $HOME directory and include the path at the end of the file. So do the followinng

cd $HOME
nano .profile

Write at the end:

export g16root

A system reboot will ensure that the ".profile" file will be sourced automatically.

We can now test the installation.

cd $g09root
cd /g09/tests/com
g09 $

Look out for the output $test.log file.

Privacy Policy