[gmx-users] Domain decomposition configuration

[Justin A. Lemkul]

Denny Frost wrote:
> I am trying to start a run using domain decomposition on a 5x5x10 nm box 
> with about 26,000 atoms in it.  I've tried running 8-16 pp nodes, but 
> gromacs always throws an error saying that there is no domain 
> decomposition compatible with this box and a minimum cell size of 6.728 
> nm.  I've tried many values for -dds and a few dd vectors, but with no 
> luck.  Does anyone know to get domain decomposition working on a 
> rectangular system like this?
> 

Not without significantly more information.  Please post:

1. Your Gromacs version
2. Any DD-related information that is printed to either the log file or stdout
3. Your .mdp file

-Justin

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================