From NWChem
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Gets Around
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11:08:55 PM PDT - Thu, Jun 12th 2014 |
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Dear Stachon, can you test parallel scaling with input from
http://www.nwchem-sw.org/index.php/Special:AWCforum/st/id1298/armci_malloc%3Amalloc_1_fail...
I think it sufficiently big to be scalable.
You need to set the size of "memory global" to >=12Gb/n, where n is NCPU.
For 1 CPU, you must increase DEFAULT_MAX_NALLOC http://www.nwchem-sw.org/index.php/Special:AWCforum/sp/id4625, but for 2 or more CPU's it is not needed.
P.S.
Please apply the patch http://www.nwchem-sw.org/index.php/Special:AWCforum/sp/id4530 for all tasks.
Thanks, Vladimir
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