Re: [AMBER-Developers] NAB and PBSA broken in CVS?

From: MengJuei Hsieh <mengjueh.uci.edu>
Date: Fri, 30 Oct 2009 15:56:42 -0700

Hi,

We are aware of the memory profiling issues, but right now we are finishing
up all the stuffs inside PBSA. I would advise people to do profiling on NAB
first.

Thanks!

-- 
Mengjuei Hsieh, Luo Research Group,
Molecular Biology & Biochem, Univ. of California Irvine.
> From: Andreas Svrcek-Seiler <svrci.tbi.univie.ac.at>
> Reply-To: AMBER Developers Mailing List <amber-developers.ambermd.org>
> Date: Fri, 30 Oct 2009 13:37:01 +0100 (CET)
> To: 'AMBER Developers Mailing List' <amber-developers.ambermd.org>
> Subject: Re: [AMBER-Developers] NAB and PBSA broken in CVS?
> 
> 
> At the moment the cvs version (checked ~3 hours ago) compiles and runs
> through when using gfortran and gcc. However, when valgrinding a
> pbsa-test
> (... valgrind ../../exe/pbsa -O -i mdin -c trxox.2.4ns.x )
> I still get a huge number of errors, though all these might come from
> a single one that is propagated. I haven't valgrinded nab-examples lately,
> but ugly some memory corruption might be lurking there somewhere, too.
> Unless these bugs are eliminated, such errors will pop up again and again.
> 
> I hope I'll find some time to hunt down one or two bugs.
> 
> best
> Andreas
> 
> 
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Received on Fri Oct 30 2009 - 16:00:02 PDT