With the E01 release things seemed a bit different. It also warns the user if they are not in the Unix group 'gaussian', as they will not be able to use the software. The gaussian modulefile is mildly interesting in that it works out the correct per-user scratch directory. They are GAUSS_EXEDIR, GAUSS_SCRDIR, and g03root. It is necessary to have certain environment variables set for Gaussian to run (and on my system they didn't quite match the ones in the install instructions). I followed the installation instructions by translating them into bash. New users are supposed to be added automatically. Some of the clusters have the group locally. Access to Gaussian is restricted by a Unix group which is stored in Admitto for most machines.
0 kommentar(er)
