[gmx-users] mdrun fatal error

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jun 6 09:21:59 CEST 2006

Beniamino Sciacca wrote:
> Ok... the problem is certainly that I made two processes.
> But if I made only one process mdrun uses only one cpu...
> I want one process (and so I can use constraint forces) that use both cpus.
> I know it's possible because I' ve another pc that is working in this 
> manner.

So work out what is different between the two machines, their 
configurations and how you're preparing the calculations. If you can't 
identify a difference, then tell us what you have done and maybe we can 
suggest something you haven't tried.


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