Re: [AMBER] Major GPU Update Released

From: Scott Le Grand <varelse2005.gmail.com>
Date: Sun, 21 Aug 2011 12:17:32 -0700

Questions:
GPU? Assuming 285 with 2 GB? (don't actually have one anymore as they all
died of old age)
Number of atoms?



On Sun, Aug 21, 2011 at 10:24 AM, Dmitry Mukha <dvmukha.gmail.com> wrote:

> 2011/8/21 Jason Swails <jason.swails.gmail.com>
>
> > The newer version requires more memory. Did you try Scott's previous
> > suggestions in this thread? One worked fine for Filip if I recall
> > correctly
> > (something having to do with halving the number of expected random
> > numbers).
> >
> > In my case GPU memory isn't loaded very much. nvidia-smi reports about
> 16%
> is utilized with ntt=1, that means it will be enough space on board. tests
> were passed (if memory amount was sufficient), but simulations that went
> fine previously now do not (re-)launch because of that segfault...
> Amber11 / at15 / patches till 17th...
>
> --
> Sincerely,
> Dmitry Mukha
> Institute of Bioorganic Chemistry, NAS, Minsk, Belarus
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Received on Sun Aug 21 2011 - 12:30:03 PDT
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