[gmx-users] Question about Multi-level parallelization: MPI and OpenMP

[jesmin jahan]

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.