Questions? Feedback? powered by Olark live chat software
Resources Home

Gromacs Parallelization Example

Gromacs is a package used to simulate molecular dynamics, predominantly for biochemical molecules. It is also very proficient in calculating non-bonded interactions in non-biological systems, such as polymers.

This is an example showcasing the parallelization capabilities of Gromacs on Rescale.

Import Job Setup Get Job Results

Simulation Code Gromacs 2016.1
Analysis Type Molecular dynamics
Description Gromacs example using MPI
Suggested Hardware Onyx / 4 cores
cd d.dppc; gmx grompp -v; mpirun -np $RESCALE_CORES_PER_SLOT gmx_mpi mdrun
Estimated Run Time 7 minutes

Last Updated: May 04, 2017 03:52PM PDT

Powered by
seconds ago
a minute ago
minutes ago
an hour ago
hours ago
a day ago
days ago
Invalid characters found