How To Use the Disk Space efficiently for Gaussian jobs Running on Gridpoint


ssadjadi's picture

ssadjadi - Posted on 11 February 2014

Gaussian makes different types of temporary files (scratch files) during the calculation. Theses are *.scr, *.inp, *.rwf, *.d2e and *.int files. When Multiple jobs are submitted by a user, these scratch files are all accumulated in the scratch folder (for each user) for all the user's jobs running on the cluster. This sometimes causes some of the jobs to be killed even the scratch folder has lot of space.
I directed my *.rwf files to separate folder, *.chk files to another folder. I left *.scr, *.inp, *.d2e and *.int files to accumulate in default scratch directory of Gaussian.
With this configuration I found my jobs are running smoothly without interrupt on Gridpoint and I have better control on disk usage of my jobs.
Hope this helps the gridpoint users to use the machine time and resources more efficiently.

Abdi