>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 - 13:30:06 PST
