Dear Albert to run parallel jobs on multiple GPUs you should use something like this:
mpirun -np (number of parallel sessions on CPU) mdrun_mpi ...... -gpu_id 0000111122223333 so you will have 4 calculations for GPU. Jacopo Inviato da iPad Il giorno 15/ago/2013, alle ore 10:56, Albert <mailmd2...@gmail.com> ha scritto: > Hello: > > I've got two GTX690 GPU in a workstation, and I compiled gromacs-4.6.3 with > plumed and MPI support. I am trying to run some metadynamics with mdrun with > command: > > mdrun_mpi -s md.tpr -v -g md.log -o md.trr -x md.xtc -plumed plumed2.dat -e > md.edr > > but mdrun can only use 1 GPU as indicated in the log file: > > > > 4 GPUs detected on host node3: > #0: NVIDIA GeForce GTX 690, compute cap.: 3.0, ECC: no, stat: compatible > #1: NVIDIA GeForce GTX 690, compute cap.: 3.0, ECC: no, stat: compatible > #2: NVIDIA GeForce GTX 690, compute cap.: 3.0, ECC: no, stat: compatible > #3: NVIDIA GeForce GTX 690, compute cap.: 3.0, ECC: no, stat: compatible > > > NOTE: potentially sub-optimal launch configuration, mdrun_mpi started with > less > PP MPI process per node than GPUs available. > Each PP MPI process can use only one GPU, 1 GPUs per node will be used. > > 1 GPU auto-selected for this run: #0 > > > > I am just wondering how can we use multiple GPU for such kind of jobs? > > THX > Albert > -- > 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 -- 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
