GAUSSIAN
Installation
Here I am showing step by step guide to install Gaussian software in your ubuntu-desktop or any UNIX platform as well in the HPC server.
step-1
Extract the Gaussian from its .tar.gz file using the following command
tar -xzvf G09-E01.tar.gz
g09 folder will be extracted which contains the necessary executable files.
step-2
Make a scratch directory and use the command "pwd" to know the path to scratch.
step-3
Edit the .bashrc script using "vi" command
vi ~/.bashrc
step-4
Define Gaussian root, scratch, and source the g09.login or g09.profile in the .bashrc script as mentioned.
g09root="/home/username/path_to_Gaussian/"
GAUSS_SCRDIR="/home/username/path to scratch folder"
export g09root GAUSS_SCRDIR
source $g09root/g09/bsd/g09.profile
step-5
Source the .bashrc script using the command,
source ~/.bashrc
step-6
Test run your test job
step-7 (optional)
If you get an error like Gaussian09 Error (l1.exe omode 33261 compare 7), then no need to be worry, just put the following command.
chmod -R 700 /home/username/path_to_Gaussian/g09
I hope this will be helpful for computational chemistry researchers in the Gaussian installation.
