[gmx-users] Gromacs 4 bug?

Mark Abraham Mark.Abraham at anu.edu.au
Fri Dec 12 09:49:45 CET 2008

Bernhard Knapp wrote:
> Dear users
> I have a problem with gromacs 4 (also tried 4.0.2). If I start a 
> simulation it is calculating for some time but after about one day it 
> gets somehow stuck. This means that the simulation is still running and 
> the top commands says md still uses all 4 cores of the computer:

What's happening in the log files? What's the latest information in the 
checkpoint files? Could there be some issue with file system availability?


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