Thank you very much. Now that I know where the problem lies, I will keep on
working on that.
On Fri, Feb 8, 2013 at 4:17 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> >know why it fails now. If there is a mismatching in MPIs above MD
> >calculations should also have given errors right?
>
> Not necessarily - they would just run on 1 core. Have you checked the
> output of your regular MD runs to see how many nodes sander reports it is
> using?
>
> All the best
> Ross
>
> >
>
>
>
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Received on Fri Feb 08 2013 - 14:00:03 PST
