[gmx-users] Parallel run error

[Anton Feenstra]

Raj Badhan wrote:

> Further to my previous mail, we have seen that gromacs works on 
> our system to a point (the first energy minimisation of the process) 
> and produces this specific error:
> 
> Reading file atpem.tpr, VERSION 3.1.4 (double precision)
> Reading file atpem.tpr, VERSION 3.1.4 (double precision)
> Fatal error: run input file atpem.tpr was made for 256 nodes,
>              while mdrun_d expected it to be for 4 nodes.

This kind of gives you a hint, doesn't it? If you want to run on 4 nodes
you have to create your .tpr file for 4 nodes as well with 'grompp -np 4'.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
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