## Installing Gaussian 03 on Ubuntu 9.10

July 7th, 2010 | Categories: Chemistry, Linux | Tags:

I was recently asked to install 32bit Gaussian 03 binaries on an Ubuntu 9.10 machine and when I tried to run a test job I got the following error message

Erroneous write during file extend. write -1 instead of 4096
Probably out of disk space.
Erroneous write during file extend. write -1 instead of 4096
Probably out of disk space.
Write error in NtrExt1
Segmentation fault


A bit of googling suggested that the following might work

sudo echo 0 > /proc/sys/kernel/randomize_va_space


but this will result in permission denied (explanation here). The command you really want to use is

sudo bash -c "echo 0 > /proc/sys/kernel/randomize_va_space"


Once this was done, Gaussian worked as advertised. Maybe this post will help a googler sometime in the future.

1. when I was running optimization for a structure.
I got the following error in the ‘.log’ file.”Error termination request processed by link 9999.
Error termination via Lnk1e in /home/pushpa/Desktop/gaussian/g03/l9999.exe at Wed Jun 15 07:32:13 2011.”

2. @gayathri: you should begin with better initial structure or you need to add step for geometry optimation