[gmx-users] Domain decomposition

[Sergio Manzetti]

Hi, I have (also) a system of one molecule in water box of 3 3 3 dimensions, the procedure goes well all the way till the simulation starts, getting: 

Will use 20 particle-particle and 4 PME only ranks 
This is a guess, check the performance at the end of the log file 

------------------------------------------------------- 
Program gmx mdrun, VERSION 5.1.2 
Source code file: /build/gromacs-z6bPBg/gromacs-5.1.2/src/gromacs/domdec/domdec.cpp, line: 6987 

Fatal error: 
There is no domain decomposition for 20 ranks that is compatible with the given box and a minimum cell size of 2.0777 nm 
Change the number of ranks or mdrun option -rcon or -dds or your LINCS settings 
Look in the log file for details on the domain decomposition 
For more information and tips for troubleshooting, please check the GROMACS 
website at http://www.gromacs.org/Documentation/Errors 
------------------------------------------------------- 


Not sure what to do here.. 


Sergio Manzetti 

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