[gmx-users] Test Particle Insertion Problem-Gromacs 4.0.3

[Mark Abraham]

YH wrote:
> Dear Dr.  Saavedra,
> 
> I would like to ask your help for my use of Gromacs.
> Now I run the Gromacs 4.05 on 16 node computer, but always meet the problems like the following.
> Would you please tell me how to sovle it. 
> 
> Thank you very much in advanc,
> 
> James, Wang(Dr.)
> Dalian university of Technology, 
> China
> -------------------------------------
>          
> 	Back Off! I just backed up pr1.log to ./#pr1.log.5#
> Reading file pr1.tpr, VERSION 4.0.5 (single precision)
> Will use 10 particle-particle and 6 PME only nodes
> This is a guess, check the performance at the end of the log file
> -------------------------------------------------------
> Program mdrun_mpi, VERSION 4.0.5
> Source code file: domdec.c, line: 5873
> Fatal error:
> There is no domain decomposition for 10 nodes that is compatible with the given box and a minimum cell size of 0.96025 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
> -------------------------------------------------------

You should read about the domain decomposition algorithm in the manual.
Probably your system is too small to make effective use of this many
processors with this algorithm.

Mark