Re: [AMBER] error by running MMPBSa

From: Urszula Uciechowska <urszula.uchiechowska.chem.umu.se>
Date: Wed, 30 Nov 2011 15:12:31 +0100

I attached my mmpbsa input file, topology and one snapshot on which i am trying to check the mmpbsa. My system is quite small, contains 170atoms (peptide). Could you have a look at it and check if its
working with you?

thank you in advance
/Urszula



________________________________________
Von: Jason Swails [jason.swails.gmail.com]
Gesendet: Mittwoch, 30. November 2011 14:58
An: AMBER Mailing List
Betreff: Re: [AMBER] error by running MMPBSa

A segfault out of context contains No useful information. You'll need to send more details, or if there are none, details about your system, options, and what may be unusual about your system. You may even have to send your files so we can debug it directly.

One thing to look at is if you have enough memory. Do you know how much your job uses compared to how much you have available?

HTH,
Jason

--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
On Nov 30, 2011, at 8:16 AM, Urszula Uciechowska <urszula.uchiechowska.chem.umu.se> wrote:
> Dear Amber users,
>
> I am trying to run mmpbsa, however I am getting errors:
>
> p
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC                Routine            Line        Source
> pbsa               000000000041AC11  Unknown               Unknown  Unknown
> pbsa               000000000040F10A  Unknown               Unknown  Unknown
> pbsa               0000000000406810  Unknown               Unknown  Unknown
> pbsa               0000000000404F1C  Unknown               Unknown  Unknown
> pbsa               0000000000401D9C  Unknown               Unknown  Unknown
> libc.so.6          000000310641D994  Unknown               Unknown  Unknown
> pbsa               0000000000401CA9  Unknown               Unknown  Unknown
>
>
> what is the problem here?
>
> /Urszula
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Received on Wed Nov 30 2011 - 06:30:03 PST