On Wed, Jul 03, 2013 at 10:13:45AM -0700, Scott Le Grand wrote:
> Did the final energies match? Were the final restarts bitwise identical?
yes to both -> I have diff'ed the mdout and md5sum the mdcrd/restrt files.
I am still using CUDA/4.2.9 for this run
Tru
--
Dr Tru Huynh | http://www.pasteur.fr/recherche/unites/Binfs/
mailto:tru.pasteur.fr | tel/fax +33 1 45 68 87 37/19
Institut Pasteur, 25-28 rue du Docteur Roux, 75724 Paris CEDEX 15 France
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Received on Wed Jul 03 2013 - 11:00:03 PDT