[gmx-users] GPU load from nvidia-smi
nedomacho at gmail.com
Thu Feb 8 21:10:45 CET 2018
Mark, a question about the input parameters you suggested:
> gmx mdrun -ntmpi 3 -npme 1 -nb gpu -pme gpu
Where does this specify on which GPUs we're running? Or is this in addition
Also, I thought that -ntmpi was by default set to the number of GPUs in the
system -- is this no longer a correct assumption?
On Thu, Feb 8, 2018 at 12:44 PM, Mark Abraham <mark.j.abraham at gmail.com>
> Yes. Note the new use of -gputasks. And perhaps check out
> things are now different.
> gmx mdrun -ntmpi 3 -npme 1 -nb gpu -pme gpu is more like what you want.
> 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
> > 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
> > 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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