[gmx-users] mpich parallel system errors

Mark Abraham Mark.Abraham at anu.edu.au
Sat Dec 17 14:26:42 CET 2005

Rongliang Wu wrote:
> Hello gmx-users,
>                 i substrated a 5 nodes job to a mpich cluster, but i found three of the nodes are not working. 
> the system manager told me that there are no problems with the hardware. 

If there had been, gromacs would probably have failed with an MPI error.

> can it be any problem with my input files?

Yes it can be, particularly if you'd constructed and run a 2-node job :-)

> the job ended at end with the two nodes, will the results from just two nodes worth trust? 

We can't tell anything from what you've told us.

One non-definitive test would be to take your final geometry and do a
short run from that point and see if the final energy components from
the first run are the same as the initial energy components from the
subsequent short run.


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