Hello, I am trying to run MPI, OpenMP and CUDA enable GROMACS 4.6.3 on nodes having 12 cores (2 CPUs) and 2 GPUs (Tesla M2090) each. The problem is when I launch job GROMCAS is using only GPUs on first node come across and failing to use GPUs on other nodes.
The command I used for two gpu enable nodes was, mpirun -np 2 mdrun -v -deffnm $configfile I tried with many other options but none of them worked. The one thing needs to remember here is that on all the nodes, GPUs got id 0 and 1 so -gpu_id option also didn't work. This old thread gave me some idea but I didn't understand it completely. http://lists.gromacs.org/pipermail/gmx-users/2013-March/079802.html Please suggests me the possible solutions for this issue. Thank you --Jignesh -- 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
