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
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
