Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Reduce disk space for large MP2 jobs
Dear Firefly Community,
I am optimizing a relatively large molecule (1942 basis functions) using MP2 theory. At the moment my calculation takes 1.4 Tb of disk (distributed Lustre FS) mostly because of DASORT files. Is there a possibility to reduce disk requirements further if I already use $MP2 direct=.t. $END ?
I am using fully static MPICH1-ssh Linux version Firefly 8.1.1. The calculation runs on 40 cores (10 nodes x 4 cores).
Fri Oct 16 '15 11:07am
This message read 454 times