Re: [AMBER-Developers] near-final testing

From: case <>
Date: Tue, 13 Apr 2010 11:31:52 -0400

On Tue, Apr 13, 2010, Jason Swails wrote:
> >
> > 2. Jason: For Mac OSX10.6, gnu 4.43:  what is the nature of the failure
> > in parallel sander.RISM.MPI?  What is your stack size (that causes the
> > parallel pmemd.MPI jobs to fail)?  What do you mean by "memory overlap"?
> The errors I was getting are the same as the ones I reported for the
> Ubuntu build on the wiki (I posted sample error messages there for
> both the RISM and pmemd errors). I'm beginning to think it may be a
> gnu 4.4-related problem (since that is the only commonality that my
> systems share, even though they are different 4.4's).

Is it possibly an MPI problem? What version of MPI are you using on the MAC
(I see mpich2 on ubuntu). Have you ever tried openmpi using the configure
script we provide?

If it is a compiler problem, this is a major stumbling block, since 4.4.x
is the current released compiler, and is found all over the place. Users
can mostly live without running parallel RISM, but the pmemd errors are in
bog-simple calculations that everyone will want to run. I'll see if I can try
some tests myself.


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Received on Tue Apr 13 2010 - 09:00:04 PDT
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