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 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
