Hello,
This isn't quite right. If you notice at the top of Run.LESmd, it has the
line:
if( ! $?TESTsanderLES ) set TESTsanderLES = "../../bin/sander.LES"
which means that TESTsanderLES is set to ../../bin/sander.LES only if that
environment variable is not already set. In the main test Makefile, the
test.sander.LES.MPI sets TESTsanderLES to $(AMBERHOME)/bin/sander.LES.MPI
before running the LES test suite. Therefore, if you run the "make
test.parallel" command, TESTsanderLES should be set to sander.LES.MPI and
not reset in any of the test Run.* scripts.
You can verify this by looking at the resulting output files after running
the test, and it should have information about the parallel performance of
sander.
Hope this helps,
Jason
On Tue, Sep 7, 2010 at 1:33 PM, Alan <alanwilter.gmail.com> wrote:
> 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 <http://www.bio.cam.ac.uk/%7Eawd28><<
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Tue Sep 07 2010 - 11:00:05 PDT
