[gmx-users] GPU load from nvidia-smi

[Alex]

Got it, thanks. Even with the old style input I now have a 42% speed up
with PME on GPU. How, how can I express my enormous gratitude?!

On Thu, Feb 8, 2018 at 12:44 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> 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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