[gmx-users] DD cells - regd

[Bogdan Costescu]

On Sat, Jan 12, 2013 at 10:04 AM, ramesh cheerla
<rameshgromacs at gmail.com> wrote:
> This probably means your
> constraint lengths are too long compared to the domain decomposition cell
> size. Decrease the number of domain decomposition grid cells

This gives another possible solution. You decrease the number of DD
grid cells by reducing the numbers of cores on which mdrun runs. Or,
for the same number of cores, you can control better the decomposition
using the '-dd' option in case the constraints are aligned to one of
the 3 main directions.

Cheers,
Bogdan