[gmx-users] Gromacs: GPU detection

[Szilárd Páll]

That should never happen. If mdrun is compiled with GPU support and
GPUs are detected, the detection stats should always get printed.

Can you reliably reproduce the issue?
--
Szilárd


On Fri, Aug 2, 2013 at 9:50 AM, Jernej Zidar <jernej.zidar at gmail.com> wrote:
> Hi there.
>   Lately I've been running simulations using GPUs on a computer node.
> I noticed that though the GPUs are always in use sometimes I don't get
> this message in the output:
> Using 4 MPI threads
> Using 2 OpenMP threads per tMPI thread
>
> 4 GPUs detected:
>   #0: NVIDIA Tesla C2070, compute cap.: 2.0, ECC: yes, stat: compatible
>   #1: NVIDIA Tesla C2070, compute cap.: 2.0, ECC: yes, stat: compatible
>   #2: NVIDIA Tesla C2070, compute cap.: 2.0, ECC: yes, stat: compatible
>   #3: NVIDIA Tesla C2070, compute cap.: 2.0, ECC: yes, stat: compatible
>
> 4 GPUs auto-selected for this run: #0, #1, #2, #3
>
> - - - -
>
>   Is this a small bug in mdrun? The GPUs are clearly in use even when
> the message is not displayed. I can see that from the overall
> performance.
>
>   I'm using Gromacs 4.6.3 with version 5.0 of the CUDA libraries.
>
> Thanks,
> Jernej
> --
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