[Beowulf] Quantum Chemistry scalability for large number of processors (cores)
mikky_m at mail.ru
Thu Sep 27 10:10:57 PDT 2012
Thu, 27 Sep 2012 11:11:24 +1000 от Christopher Samuel <samuel at unimelb.edu.au>:
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> On 27/09/12 03:52, Andrew Holway wrote:
> > Let the benchmarks begin!!!
> Assuming the license agreement allows you to publish them..
:-) For example: Gaussian-09/03/... licenses disallow you to publish any data which may harm Gaussian, Inc.
Therefore if you present speedup values which show good parallelization efficiency, and w/o any comparison w/other programs,
all will be OK.
There are also some other codes, which are free, even with GPL license. But I myself don't have high number of cores :-)
> - --
> Christopher Samuel Senior Systems Administrator
> VLSCI - Victorian Life Sciences Computation Initiative
> Email: samuel at unimelb.edu.au Phone: +61 (0)3 903 55545
> http://www.vlsci.org.au/ http://twitter.com/vlsci
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