[gmx-users] Gromacs 3.3.3 => what MPI based on ?

Mark Abraham Mark.Abraham at anu.edu.au
Sat Jan 2 00:16:34 CET 2010

Chih-Ying Lin wrote:
> Hi
> There is no domain decomposition with Gromacs 3.3.3.
> What MPI based on with Gromacs 3.3.3?

3.x uses a particle-based decomposition. There's not much documentation 
of it. Basically the system gets sliced up spatially and distributed to 
the processes. You can get a version of the same algorithm in 4.x with 
mdrun -pd


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