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 - 19:00:03 PDT
