| 2:08:57 AM PST - Mon, Feb 11th 2013 |
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During some B3LYP DFT geometry optimizations using parallel NWC 6.1.1 (Jan 2013) on a 16-proc shared memory node I notice that a large input.aoints.N file (~ 250 MB) is created for each processor requested. If the job terminates normally these are deleted. If the job fails or is killed (through the WebMO interface), the files remain in the user's directory. Is this expected behavior? (I did various searches for this term without luck on the NWchem website, or by googling. If I missed it, just send me the link.)
Thanks!
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