Hi Jason,
Thanks a lot for the reply.
If I was going to make an attempt to do that migration, are you aware of
any fundamental barriers for putting the NCSU codes on the GPU? I can
imagine all kinds of horrible problems, but just wondered if you were aware
of some critical issues, or if it was more a matter of time versus user
interest at this point.
Thanks again,
~Aron
On Thu, Mar 1, 2012 at 1:18 PM, Jason Swails <jason.swails.gmail.com> wrote:
> On Thu, Mar 1, 2012 at 1:08 PM, Aron Broom <broomsday.gmail.com> wrote:
>
> > Dear AMBER Developers,
> >
> > I realize you might be getting tired of all the questions concerning the
> > imminent release of AMBER 12, but I'm extremely interested to know if
> > things like Adaptively Biased Molecular Dynamics will be made available
> in
> > the cuda implementation in AMBER 12? I've been using it in sander, but
> the
> > performance-to-cost boost of using AMBER on GPUs is so extreme at the
> > moment when using something like a GTX570 in a desktop, that it is very
> > hard to justify using sander.
> >
>
> No, ABMD will not be making it into pmemd.cuda. (None of the NCSU codes
> are being migrated over). Accelerated MD should be included, though, as an
> alternative to ABMD.
>
> HTH,
> Jason
>
>
> >
> > Thanks,
> >
> > ~Aron
> >
> > --
> > Aron Broom M.Sc
> > PhD Student
> > Department of Chemistry
> > University of Waterloo
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo
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Received on Thu Mar 01 2012 - 11:00:02 PST
