From: Sunny (sunny.day.programmer.2019_at_gmail.com)
Date: Sat Jun 22 2019 - 21:42:58 CDT
Dear Maximilian
I have the same issue as mentioned in previous listings, "*FATAL ERROR:
High global CUDA exclusion count!*
<https://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2018-2019/2028.html>"
but no one answered. the slow performance is due to a unknown reason which
the system collapse under its own force to a very small and unnatural
arrangement abruptly after the energy minimization step. this will increase
the neighbor list and force computations and hence the slow performance.
you can check this by getting dcd output from the simulation every single
frame and watch the evolution of the system. for me it happens in a couple
of hundred to thousands steps. I reached out the listing to ask for any one
with experience on the matter with no response yet. I hope someone can help
both of us on this. all of the files required for my simulation are put in
the link below: https://www.dropbox.com/s/feigmwjwuqu99ts/testCUDA.rar?dl=0
bests regards
Sunny
On Thu, Jun 20, 2019 at 12:14 PM Maximilian Ebert <mebert_at_chemcomp.com>
wrote:
> HI there,
>
> The CUDA acceleration on our Windows 10 desktop computer seems not to
> work. The NVIDIA P5000 GPU idles around 1-5% for small or large systems. We
> have a Linux equivalent with a P4000 and all appears to work fine. I
> attached the GPU stdout from windows for 1 CPU + 1 GPU and 4 CPUs + 1 GPU.
> Both run slow. Any idea what is going on?
>
> https://drive.google.com/file/d/1-CubaGM0URZeWUto6HbodsS7UE-Lq-fI
> https://drive.google.com/file/d/1-Fnsp7i7saNfzZwoQQ-eXB5s31q-Atw7
>
> Thanks,
> Max
>
>
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