[gmx-users] different nvidia-smi/gmx GPU_IDs

[Mark Abraham]

Hi,

No, at run time.

Mark

On Fri., 18 Jan. 2019, 20:06 paul buscemi, <pbuscemi at q.com> wrote:

> Szilard,
>
> Is the environmental variable set at build  ?
>
> thanks
> Paul
>
> > On Jan 18, 2019, at 12:36 PM, Szilárd Páll <pall.szilard at gmail.com>
> wrote:
> >
> > Hi,
> >
> > The CUDA runtime tries (and AFAIK has always tried) to be smart about
> > device order which is what GROMACS will see in its detection. The
> > nvidia-smi monitoring tools however uses a different mechanism for
> > enumeration that will always respect the PCI identifier of the devices (~
> > the order of cards/slots in the box).
> >
> > This can of course cause some headache in mixed setups, but you can set
> the
> > CUDA_DEVICE_ORDER=PCI_BUS_ID environment variable to tell the runtime to
> > avoid reordering the GPUs and expose them ordered by bus ID.
> >
> > Cheers,
> > --
> > Szilárd
> >
> >
> > On Sun, Jan 13, 2019 at 2:27 PM Tamas Hegedus <tamas at hegelab.org> wrote:
> >
> >> Hi,
> >>
> >> I have a node with 4 nvidia GPUs.
> >> From nvidia-smi output:
> >>  0  Quadro P6000
> >>  1  GeForce RTX 208
> >>  2  GeForce GTX 108
> >>  3  GeForce RTX 208
> >>
> >> However, the order of GPUs is differently detected by gmx 2018.3
> >>     Number of GPUs detected: 4
> >>     #0: NVIDIA GeForce RTX 2080 Ti
> >>     #1: NVIDIA GeForce RTX 2080 Ti
> >>     #2: NVIDIA Quadro P6000
> >>     #3: NVIDIA GeForce GTX 1080 Ti
> >>
> >> Why is this? This makes difficult to plan/check the running of two gmx
> >> jobs on the same node.
> >>
> >> Thanks for your suggestion.
> >>
> >> Tamas
> >>
> >> --
> >> Tamas Hegedus, PhD
> >> Senior Research Fellow
> >> MTA-SE Molecular Biophysic
> <https://maps.google.com/?q=-SE+Molecular+Biophysic&entry=gmail&source=g>s
> Research Group
> >> Hungarian Academy of Sciences  | phone: (36) 1-459 1500/60233
> >> Semmelweis University          | fax:   (36) 1-266 6656
> >> Tuzolto utca 37-47             | mailto:tamas at hegelab.org
> >> Budapest, 1094, Hungary        | http://www.hegelab.org
> >>
> >> ---
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> >>
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