[gmx-users] decomposition

Jacopo Sgrignani sgrignani at cerm.unifi.it
Mon Jul 26 12:35:42 CEST 2010


Dear all
i'm trying to run a MD simulation using domain decomposition but after two
days i'm only able to get this error:


There is no domain decomposition for 7 nodes that is compatible with the
given box and a minimum cell size of 2.37175 nm
Change the number of nodes or mdrun option -rcon or -dds or your LINCS
settings
Look in the log file for details on the domain decomposition


I don't select a number of nodes but i use the default options, but the
simulation does not run.
So could you give me advices to run with domain decomp, or  where can I
find exaples about this?

Thanks a lot

Jacopo




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