[gmx-users] gmx 4.6: incompatible gpu device

Oliver Mirus o.mirus at bio.uni-frankfurt.de
Mon Nov 19 20:44:17 CET 2012


I've downloaded Gromacs 4.6:

git checkout --track -b release-4-6 origin/release-4-6

With '-msse4.1' added to CMAKE_C_FLAGS it finally compiled.

But a test run with 1 CPU & 1 GPU failed with the following message
before it started :
mdrun -deffnm gputest -gpu_id $gpulist

1 GPU detected:
  #0: NVIDIA Tesla T10 Processor, compute cap.: 1.3, ECC:  no, stat:

Fatal error:
Some of the requested GPUs do not exist, behave strangely, or are not
    GPU #2: inexistent
I had Gromacs 4.5.5 with OpenMM 4.0 running on the same GPU cluster, but
only with the option "force-device=yes". Is there a similar option in
Gromacs 4.6?



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