What are input.gridpts.n and can they be deleted?
Gets Around
12:57:21 PM PST - Sun, Feb 3rd 2013
NWChem 6.1.1 (Jan 2013 version on a multi-core shared memory CentOS compute node) creates n input.gridpts.n files of about 1-MB each, where n = the number of processors requested. These remain in the user's job directory after the job completes successfully. Is there a setting in NWChem that will allow these to be automatically deleted? Do they provide any function after the job finishes?

Forum Vet
1:28:23 PM PST - Mon, Feb 4th 2013
The grid points files can be safely deleted. There is not automated way to have NWChem deleting them at the end of a job yet.

Cheers, Edo


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