PC GAMESS-related discussion club

Alex Granovsky
gran@classic.chem.msu.su

> NOT ENOUGH MEMORY FOR SECOND MP2 HALF-TRANSFORMATION
> INCREASE MEMORY SIZE BY AT LEAST   58873478 WORDS

>Even though I am trying to use two nodes with 2GB RAM (total 4GB RAM), PCGAMESS was able to use RAM of one node only. Please let me know how to use memory from both nodes. Is my approach correct?

Actually PC GAMESS uses RAM of both nodes. This memory is not replicated, i.e., it contains different data on different nodes. However, your job is large so that the amount of memory you provided is simply not enough. You can run PC GAMESS on larger number of nodes to reduce memory needs per node. In any case, this is a good idea as your job would require large amount of distributed data on HDDs and on two nodes you may run out of disk space. Next, the calculation time will be much smaller on large number of nodes. Finally, I would suggest you to read the previous discussion on similar topic on these pages (October 01, 2007).

Best regards,
Alex Granovsky