On Fri, Apr 16, 2010 at 2:36 PM, <aapeters.ncsu.edu> wrote:
>
> Hello
>
> In attempting to use QM/MM (qm_theory='DFTB') and PIMD, it seems as though
> /amber10/src/sander/multisander.f does not broadcast $AMBERHOME to all of
> the "-ng" nodes. I say this because I get the following error, with "-ng
> 2".
Sander does not broadcast AMBERHOME, it just gets it from the system.
What you can do is make sure that all nodes have the same environment
settings, and that $AMBERHOME is set in all of them, and pointing to
the same place.
Gustavo.
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Received on Fri Apr 16 2010 - 12:30:05 PDT
