GROMACS version: 2018.3
GROMACS modification: No
Hi all,
Is there a way to run RDF calculations in parallel?
I tested with “mpirun -np 8 gmx_mpi rdf …” but it didn’t run.
Best,
Sayantan
GROMACS version: 2018.3
GROMACS modification: No
Hi all,
Is there a way to run RDF calculations in parallel?
I tested with “mpirun -np 8 gmx_mpi rdf …” but it didn’t run.
Best,
Sayantan
Analysis tools do not benefit from parallelization, except maybe gmx hbond
, which can use OpenMP.