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

From: Supriyo Bhattacharya <>
Date: Fri, 27 Jul 2018 21:05:42 +0000 (UTC)

 Also, do a nvidia-smi and check what other processes might be running on the gpu to slow down the MD.
    On Friday, July 27, 2018, 1:35:06 PM PDT, Bill Ross <> wrote:
 How long ago did you last get the better results? What software has
changed, particularly drivers? What OS?


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 - 14:30:03 PDT
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