Re: [AMBER-Developers] near-final testing

From: Jason Swails <>
Date: Tue, 13 Apr 2010 09:57:46 -0400

Sorry it took awhile to get back, I've been busy the past few days.

On Mon, Apr 12, 2010 at 9:04 AM, case <> wrote:
> Thanks to everyone who has been involved in testing the 08apr10 RC.  I'd
> like to follow up on a few points that come up on the Amber11 Testing wiki
> page:
> 1. Scott: can you try to track down the mtmdtest failure with PGI compilers?
> Also, see my questions about bug 130.
> 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).

> 3. Jason: if you have a chance, I'd love to see the parallel Amber results
> for Ubuntu 9.10, GNU compilers.  Once I saw that you were doing this, I
> put off my own efforts to test Ubuntu.

Posted. Same errors I was seeing with Mac OS X. I have all of the gnu
compilers from 4.1 up through 4.4 installed, so I will roll back to
4.3 and see if some of the errors go away and report back.

> 4. Dan: can we get a current picture of what cygwin is doing?
> 5. Dan: as ptraj expert, have you been trying the ptraj_comprehensive
> test on 8 threads?  (See error reported by Ben on the wiki.)
> 6. Ben: if you have time, can you see if sander.RISM.MPI is still not being
> created with the latest RC?  Is there any error at the compile stage?
> 7. Volodymyr: long term, figuring out why FreeBSD is failing will probably
> help uncover bugs in the code.  But these don't look like things that can
> be easily fixed.  Is there a chance that you (or anyone else on the developers
> list) could get Wei a login on a BSD machine?
> 7. Any volunteer: a few trivial things would be great to fix:
>  a. debug why intel compilers fail on the tip5p test
>  b. We don't expect correct results on the parallel test suite if the number
>     of processors equals 1.  Can we trap this input with an informative
>     message?
> ...thanks...dave
> _______________________________________________
> AMBER-Developers mailing list

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
AMBER-Developers mailing list
Received on Tue Apr 13 2010 - 07:00:05 PDT
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