On Wed, Sep 16, 2015, Robin Jain wrote:
> I have installed Amber12 in parallel version. Now when i run minimisation
> it runs only 4 nodes and on more nodes program stops and says something
> about memory while heating and other runs on 16 nodes. What is going to
> be wrong.
There is not enough information here for us to be of much help. At a minimum
you need to copy and paste the *exact* error message into your email. Also,
make sure that the only difference between a minimization run (that fails) and
an MD run (that works) is in the value of imin.
...dac
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Received on Wed Sep 16 2015 - 06:00:10 PDT
