Dear Gromacs Users, I have two questions about the multi-level parallelism of Gromacs. http://www.gromacs.org/Documentation/Acceleration_and_parallelization?highlight=verlet#GPU_acceleration
1. Is this feature is only supported by Gromacs 4.6? Or we can get it in 4.5.3 also? 2. In Gromacs 4.5.3, I have used OMP_NUM_THREADS=12 mpirun -np 16 mdrun_mpi -s imd.tpr command to run 16 gromacs processes each with 12 threads. In the log file, I can see nodeid: 0 nnodes: 16 Its clear that 16 nodes are being used in work load distribution. But its not clear whether 12 thread is being used in each of those processes /nodes because there is no mention about the number of threads. Does anyone know about this? Sincerely. Jesmin -- Jesmin Jahan Tithi PhD Student, CS Stony Brook University, NY-11790. -- 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
