Re: [AMBER] pmemd.cuda implementation of sgld

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Sat, 11 Jul 2015 07:41:53 -0600

On Sat, Jul 11, 2015 at 1:50 AM, Asmita Gupta <asmita4des.gmail.com> wrote:

> Dear Users,
>
> when i am trying to run SGLD (using isgld=1) usinf pmemd.cuda (amber14),
> i am getting this message:-
>
> CUDA (GPU): Implementation does not support Self Guided Langevin.
> Require isgld == 0.
>
> Is there no cuda support for sgld runs yet?
>

As the message indicates, there is not.


>
> Thanks
>
> Asmita
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> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Sat Jul 11 2015 - 07:00:02 PDT
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