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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Received on Fri Jul 27 2018 - 14:00:04 PDT
