[AMBER] MMPBSA.py.MPI

From: Alan <alanwilter.gmail.com>
Date: Tue, 25 May 2010 11:17:23 +0100

Hi there,

So I am playing with new released MMPBSA.py.MPI and the first I noticed when
running test with DO_PARALLEL (-np 2) is that I got two 'sander' (serial
version) running when I was expecting sander.MPI with 2 threads.

Is this behaviour correct?

Thanks,

Alan

-- 
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
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Received on Tue May 25 2010 - 03:30:04 PDT