Re: [AMBER] very slow implicit simulation on GPU!!!

From: David Cerutti <dscerutti.gmail.com>
Date: Fri, 27 Jul 2018 17:03:09 -0400

Is it possible that the GPU has another process on it that you are not
seeing?

Dave


On Fri, Jul 27, 2018 at 4:46 PM Parviz Seifpanahi Shabane <sparviz.vt.edu>
wrote:

> Month ago, os is centos and same AMBER16 for both simulations. Nothing
> changed. Same running script and input files.
> Best
>
> On Fri, Jul 27, 2018, 4:35 PM Bill Ross <ross.cgl.ucsf.edu> wrote:
>
> > How long ago did you last get the better results? What software has
> > changed, particularly drivers? What OS?
> >
> > Bill
> >
> >
> > On 7/27/18 1:15 PM, Parviz Seifpanahi Shabane wrote:
> > > Dear AMBER user,
> > >
> > > I am running a simulation on 1 GPU (GTX980), with almost 4000 atmos
> with
> > > using implicit water (igb=8) and no cutoff (cut=999). everything works
> > but
> > > the problem is it is very slow (72 ns/day !!!) I used to get 500
> ns/day
> > > for the almost same system on the same GPU. Any idea?
> > > Best
> >
> >
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> >
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Received on Fri Jul 27 2018 - 14:30:03 PDT
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