Cluster:Running Gaussian in parallel

From Earlham CS Department
Revision as of 11:03, 1 July 2005 by Skylar (talk | contribs)
Jump to navigation Jump to search

Understand the distinction between nprocs and nprocl. nprocs is for a shared-memory (single-image) machine, whereas nprocl is for a distributed-memory (cluster) system. You want to use nprocl on all our computing systems.

Once you have the number of CPUs specified in the input file, make sure that your nodelist in GAUSS_LFLAGS is set properly. See Gaussian environment for details.

After that, fire it up with $g03root/bsd/g03l.