BTW single GPU MPI runs should be really close to full-speed now... Ergo
REMD should be close to 100% efficient...
On Tue, Aug 6, 2013 at 6:33 PM, Adrian Roitberg <roitberg.ufl.edu> wrote:
> Dave Cerutti and Jason had a crack at this last I think.
>
> a.
>
> On 8/6/13 9:32 PM, David A Case wrote:
> > On Tue, Aug 06, 2013, Scott Le Grand wrote:
> >
> >> This why the Monte Carlo Barostat is crucial... I can't do much more
> for
> >> traditional NTP - it needs more 64-bit oomph than NVE, twice as much in
> >> fact, and that really hits consumeer GK104 and GK110 GPUs.
> > Anyone know where we stand on this? Is the MC barostat running on the
> CPU
> > pmemd code? (or in sander)?
> >
> > ...thx...dac
> >
> >
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> --
> Dr. Adrian E. Roitberg
>
> Colonel Allan R. and Margaret G. Crow Term Professor.
> Quantum Theory Project, Department of Chemistry
> University of Florida
> roitberg.ufl.edu
> 352-392-6972
>
>
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Received on Tue Aug 06 2013 - 20:00:02 PDT
