[gmx-users] mdrun fatal error
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
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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