[gmx-users] fatal errors in parallel but not on single processor

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jan 16 13:21:51 CET 2008

Patricia Francis-Lyon wrote:

> The same .top, .gro, .mdp and .tpr files are used on both single 
> processor and parallel runs, with the GROMOS96 53a6 force field.  Any 
> help you can offer is much appreciated!

Your symptoms are perplexing, but if you really managed to use the same 
.tpr files, then that might be the problem. You need to define the 
number of processes in the grompp command line that generates the .tpr file.


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