AMBER Archive (2007)

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

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Thu Jun 28 2007 - 11:53:44 CDT


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:

http://amber.ch.ic.ac.uk/archive/200702/0389.html

and see if the suggestions in here fix the problem.

All the best
Ross

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|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
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