RE: Problems with Ifort 9.1.047 on Altix (Was: RE: Re: AMBER: $AMBERHOME on PATH)

From: Ross Walker <>
Date: Thu, 28 Jun 2007 09:53:44 -0700

Hi Alex,

> Hi guys
> I am installing Amber9 on Altix under Suse10 and I am getting
> from the test:
> cd qmmm2/crambin_2; ./Run.crambin
> *** glibc detected *** ../../../exe/sander: malloc(): memory
> corruption: 0x6000000000e75c90 ***
> ======= Backtrace: =========
> Anybody to see such a thing before under Intel 9.1.047?

I have come across problems before with certain versions of the Intel
compilers and the QM/MM code on Altix. The issue has been with the compiler
misvectorizing loops. A couple of things to check before we dig any deeper.

1) Have you applied all the lastest bugfixes and made clean / recompiled?
   There are several workarounds in these bugfixes to address certain intel
compiler bugs.

2) Is this running in serial or in parallel?

Please take a look at the following page:

and see if the suggestions in here fix the problem.

All the best

|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- |
| | PGP Key available on request |

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Received on Sun Jul 01 2007 - 06:07:24 PDT
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