[gmx-users] GPU load from nvidia-smi

[Mark Abraham]

Hi,

Yes. Note the new use of -gputasks. And perhaps check out
http://manual.gromacs.org/documentation/2018-latest/user-guide/mdrun-performance.html#types-of-gpu-tasks
because
things are now different.

gmx mdrun -ntmpi 3 -npme 1 -nb gpu -pme gpu is more like what you want.

Mark

On Thu, Feb 8, 2018 at 8:36 PM Alex <nedomacho at gmail.com> wrote:

> I think this should be a separate question, given all the recent mess with
> the utils tests...
>
> I am testing mdrun (v 2018) on a system that's trivial and close to a 5 x 5
> x 5 box filled with water and some ions. We have three GPUs and the run is
> with -nt 18 -gpu_id 012 -pme -gpu.
>
> nvidia-smi reports 65% load on 0 and nothing on 1 and 2. Is this normal?
>
> Thanks,
>
> Alex
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