Hello,
I am having some troubles efficiently running simulations in parallel on a gpu-cluster. The cluster has 8 GPUs and 16 CPUs. Currently, the command that I am using is: mpirun -np 8 mdrun_mpi -multi 8 -nice 4 -s md -o md -c after_md -v -x frame -pin on Per-simulation, the performance I am getting with this command is significantly lower than running 1 simulation that uses 1 GPU and 2 CPUs alone. This command seems to use all 8 GPUs and 16 CPUs on the 8 parallel simulations, although I think this would be faster if I could pin each simulation to a specific GPU and pair of CPUs. The -gpu_id option does not seem to change anything when I am using the mpirun. Is there a way that I can efficiently run the 8 simulations on the cluster by specifying the GPU and CPUs to run with each simulation? Thank you in advance! Regards, -Maxwell -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
