[gmx-users] Parallel run error

Raj Badhan r.k.badhan at stud.man.ac.uk
Mon Oct 27 19:38:01 CET 2003

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.
Error on node 0, will try to stop all the nodes
MPI: MPI_COMM_WORLD rank 0 has terminated without calling 

Can anyone shed any light on what may be the problem, i.e. 
weather it is a gromacs error so some error in the program splititng 
the run between the 4 processors that we have requested to carry 
out this run.
Kind regards
Mr Raj Badhan
School of Pharmacy and Pharmacetical Science
The University of Manchester
Manchester, UK.

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