Hi, The log file gives a breakdown of how the minimum cell size was computed. What does it say?
Mark On Oct 17, 2013 5:17 AM, "Christopher Neale" <[email protected]> wrote: > I have a system that also uses a set of distance restraints > > The box size is: > 7.12792 7.12792 10.25212 > > When running mdrun -nt 8, I get: > > Fatal error: > There is no domain decomposition for 8 nodes that is compatible with the > given box and a minimum cell size of 3.62419 nm > > However, the largest restrained distance is 2.0 nm and the largest > displacement between restrained atoms is 2.63577 nm > > So why does mdrun set -rdd to 3.62419 nm ? > > If I run mdrun -rdd 2.8 everything works fine. > > Thank you, > Chris. > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
