[Pw_forum] ph.x v3.2 on NEC SX-8
Axel Kohlmeyer
akohlmey at cmm.chem.upenn.edu
Thu Jan 4 16:29:16 CET 2007
On Thu, 4 Jan 2007 wlyim at puccini.che.pitt.edu wrote:
WY> **************************************************************************
WY>
WY> Is there any benchmark test on NEC machine for the latest version of
WY> espresso?
william,
there are a bunch of examples for all kinds of calculations in
the example subdirectory. those are regularly tested on a few platforms.
please try a few of those (see the README files for descriptions)
and see if they work reasonably. this might help to identify the
source of the problem.
cheers,
axel.
WY>
WY> Best regards,
WY> William
WY>
WY>
--
=======================================================================
Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.
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