2012/2/20 Aron Broom <broomsday.gmail.com>
>
> 4) The error MAY be dependent on hardware settings, particularly voltage:
>
> Actually, 'yes' and 'no'. This is true for ever-crashed system, where bug
appearance shifts depending on hardware. But I have rerun successful
trajectories that cover a long time of modeling (up to 500 ns) on GTX580,
and bug did not appear. Input files were the same for both types of
systems. Difference was only in the initial calculations, esp. heating,
--
Sincerely,
Dmitry Mukha
Institute of Bioorganic Chemistry, NAS, Minsk, Belarus
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Received on Mon Feb 20 2012 - 11:00:04 PST
