[gmx-users] Simulation on multi nodes performance

[Ali Ahmed]

Hello GMX users

I'm trying to do simulations on multi nodes so I used  8 nodes (128
processors). AS I see there is no difference between 1 node and 8 nodes.

I used these commands:

-------

load apps/gromacs-2016

load apps/openmpi-2.1.1

gmx grompp -f EMZ.mdp -c BOX.gro -p TOP.top -o EMZ.tpr

mpirun -np 128 mdrun_mpi -v -deffnm EMZ

--------

I'm kind of confused about the right commands

Any comment will be helpful

Thanks in advance

Ali