[AMBER] $AMBERHOME/test/LES_noPME/Run.LESmd

From: Alan <alanwilter.gmail.com>
Date: Tue, 7 Sep 2010 18:33:15 +0100

I was looking at $AMBERHOME/test/LES_noPME/Run.LESmd and so that
when DO_PARALLEL is set, we still have TESTsanderLES =
"../../exe/sander.LES" and not something like set TESTsanderLES =
"../../exe/sander.LES.MPI" so it's basically not testing the parallel
sander.LES.MPI.

Is my observation right? Does it need a fix? I did:
...
  set numprocs=`echo $DO_PARALLEL | awk -f ../numprocs.awk `
  set TESTsanderLES = "../../exe/sander.LES.MPI"
  if ( $numprocs > 12 ) then
...

and it seemed to work.

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 Sep 07 2010 - 11:00:03 PDT
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