More dimensions = more complex communication pattern. See
http://pubs.acs.org/doi/abs/10.1021/ct700301q
Note that it's not *always* x-y decomposition first, mdrun will look
at the dimensions of your system too. One case where manually
switching to 3D decomposition can be beneficial is when there
Hi everyone,
For my MD simulations on different number of CPUs (sometimes with GPUs),
the domain decomposition grid that I got from automatic (not setting -dd)
domain decomposition is always like:
..
Domain decomposition grid 8 x 6 x 2, separate PME nodes 48
PME domain decomposition: 8 x 6 x
