Okay, I'm asking Qin to take a look of your system and setup ...
All the best,
Ray
---------- Forwarded message ----------
From: Urszula Uciechowska <urszula.uchiechowska.chem.umu.se>
Date: Wed, Nov 30, 2011 at 6:12 AM
Subject: Re: [AMBER] error by running MMPBSa
To: AMBER Mailing List <amber.ambermd.org>
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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 30 2011 - 10:00:03 PST
