The version of GAMESS on Mimosa has been upgraded to the June 2005 version of the software from the august 2001 version. A detailed set of webpages listing the changes and what a user needs to know is available right here. This version has been built using the Portland Group compilers and parallelization is achieved using DDI (Distributed Data Interface ) as opposed to MPI (Message Passing Interface) which was the case earlier.

There have been several enhancements to GAMESS and all the new features available in this latest version of GAMESS is listed here

The method used to invoke GAMESS (within PBS or interactively) has changed and so all the users PBS scripts for submitting GAMESS jobs will have to be updated as per the instructions in our documentation.

Secondly the parameters that need to be provided to GAMESS have also changed, for example you need to specify exactly the same number of nodes as you request from PBS (it used to be half before).