On Mon, Jan 6, 2014 at 12:41 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Ben Madej has been working extensively on this over the last few months so
> I will let him provide an update here but my understanding is that this is
> fixed although what is in the master branch is NOT up to date.
>
Without context, "this" is ambiguous. I presume "this" is SGLD in pmemd?
The MC barostat now works, and should merge painlessly into gpu-tachyon.
Scott needs to work his magic to get virial-less kernels for the MC
barostat to take full advantage of the speedup potential, but I left that
to him since I try to steer clear of gpu-tachyon.
All the best,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Jan 06 2014 - 13:00:03 PST
