On Sat, Oct 02, 2010, Kirsten Heitmann wrote:
> | Running AMBER/MPI version on 1 nodes
>
> | MULTISANDER: 2 groups. 1 processors out of 2 total.
This looks wrong: you need to have the number of threads (from -np) be equal
to, or a multiple of, the number of groups (from -ng).
[Aside: you are changing the charge on a very large number of atoms; are you
sure that is what you wish to do?]
....dac
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Received on Sat Oct 02 2010 - 05:00:03 PDT
