[gmx-users] Running multiple Gromacs simulations on the same node

MING HA mingtha at scarletmail.rutgers.edu
Fri Sep 8 06:00:31 CEST 2017

Hi all,

It may seem a bit weird, but I'm trying to run multiple Gromacs simulations
simultaneously on the same node, and I specified each Gromacs simulation
to use only 1 MPI process and 1 OMP thread. I'm doing this because I am
trying to check how accurate my model can predict an application using a
single thread and process.

My question is: If, for example, I am running multiple Gromacs simulations
simultaneously, each with 1 MPI process and 1 OMP thread,  on the same
node, does each simulation use separate MPI processes and OMP threads,
or are they shared?


More information about the gromacs.org_gmx-users mailing list