From NWChem
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12:57:21 PM PST - Sun, Feb 3rd 2013 |
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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?
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Edited On 12:58:24 PM PST - Sun, Feb 3rd 2013 by Jwkeller
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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Forum Vet
Threads 3
Posts 815
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1:28:23 PM PST - Mon, Feb 4th 2013 |
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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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Edited On 1:32:09 PM PST - Mon, Feb 4th 2013 by Edoapra
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