[gmx-users] GPU error

[RAHUL SURESH]

Hi Dr Mark

System is pretty tiny only with 15000 atoms. 1 GpU is automatically
selected.

I get a note stating potentially sub-optimal launch configuration, gmx
started with less pp Mpi process for node than GPUs available.

So the use of GPU is automated depending on the size of the system?

Also, I can find a line in the log file, "Binary not matching Hardware- you
might be losing performance.

Please help us understand this more.

Thank you





On Mon 25 Mar, 2019, 6:41 PM Mark Abraham, <mark.j.abraham at gmail.com> wrote:

> Hi,
>
> What did you learn from the log file when it chose to use only one GPU? If
> your system is tiny then two won't help...
>
> Mark
>
> On Mon., 25 Mar. 2019, 11:28 RAHUL SURESH, <drrahulsuresh at gmail.com>
> wrote:
>
> > Hi
> >
> > I have a  system with 2 8 core gold processor and 2 1080Ti card. During
> > mdrun, the job utilize only one GPU card.
> >
> > Command: gmx_mpi mdrun -v -deffnm md
> >
> > Trying various command line I could use both the card but end up with
> very
> > poor performance.
> >
> > command: mpirun -np 2 gmx_mpi mdrun -v -deffnm md -gpu_id 01
> >
> > How to improve the performance of this system?
> > --
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