[gmx-users] Gromacs: GPU detection
szilard.pall at cbr.su.se
Wed Aug 7 21:11:49 CEST 2013
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?
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
> I'm using Gromacs 4.6.3 with version 5.0 of the CUDA libraries.
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