Prof. Case,
I used
export Do_PARALLEL='mpiexec -n 8'
its intel xeon quadrocore (2), shared memory.
thanks,
Senthil
________________________________
From: case <case.biomaps.rutgers.edu>
To: AMBER Mailing List <amber.ambermd.org>
Sent: Mon, October 4, 2010 9:41:23 AM
Subject: Re: [AMBER] make.parallel test got stuck !! any updates?
On Mon, Oct 04, 2010, Senthil Natesan wrote:
>
> I installed AmberTools1.4 and Amber11 on RHEL5.3 successfully(?!)
> and while running make parallel test, it got stuck on the already reported
>step.
>
> cd PIMD/full_cmd_water/equilib && ./Run.full_cmd
> Testing Centroid MD
Can you tell use what value of $DO_PARALLEL you are using?
You should probably comment out these tests by applying this patch to
$AMBEHROME/test/Makefile:
--- test/Makefile
+++ test/Makefile
.. -63,7 +63,7 .. test.parallel.4proc:
test.parallel.MM: test.sander.BASIC.MPI test.sander.GB.MPI \
test.sander.REM test.sander.TI test.sander.LES.MPI \
test.neb test.ncsu.parallel \
- test.sander.PIMD.MPI.partial test.sander.PIMD.MPI.full \
+ test.sander.PIMD.MPI.partial \
test.sander.constph.MPI test.sander.RISM.MPI
test.parallel.QMMM: \
.....dac
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Received on Mon Oct 04 2010 - 07:00:05 PDT
