Re: Segmentation violation with adaptive tempering.

From: Nicholas M Glykos (glykos_at_mbg.duth.gr)
Date: Mon Nov 21 2011 - 12:11:45 CST

Hi Johan,

Thanks for the quick reply. I have another one for you : I couldn't get a
restart to work using adaptTempInFile. I assume that all I need is

adaptTempMD on
adaptTempInFile myfile

but initialization fails with a message in the spirit of 'you can not
define both adaptTempInFile and adaptTempTmin, adaptTempTmax,
adaptTempBins, ... (which I didn't define).

Thanks again,
Nicholas

On Mon, 21 Nov 2011, johan strumpfer wrote:

> Hi Nicholas,
>
> Thanks for posting - there was a bug in the code that I've been
> tracking down. I've found the one you mentioned (an uninitialized int)
> but I'm busy testing the code some more before committing the changes
> to cvs.
>
> Cheers,
> Johan
>
> ------------------------------------------------------------------------------------------------------
> Johan Strumpfer:         johanstr_at_ks.uiuc.edu        www.ks.uiuc.edu/~johanstr
> Theoretical and Computational Biophysics Group
> 3115 Beckman Institute
> University of Illinois at Urbana-Champaign
> 405 N. Mathews
> Urbana, IL 61801, USA
> ------------------------------------------------------------------------------------------------------
>
>
>
> On Sun, Nov 20, 2011 at 6:13 AM, Nicholas M Glykos <glykos_at_mbg.duth.gr> wrote:
> >
> >
> > Dear Developers,
> >
> > Using CVS-2011-11-20 for Linux-x86_64 we get sporadic segmentation
> > violations when using adaptive tempering. Sporadic means that
> > re-submitting the same job without changing anything eventually leads to
> > an apparently stably-running job. I attach the log files from one job that
> > failed and the initial portion from a job that is stable. The problem only
> > surfaced when using multiple nodes (the multicore version running on a
> > single node was ok).
> >
> > Best regards,
> > Nicholas
> >
> >
> >
> > --
> >
> >
> >            Nicholas M. Glykos, Department of Molecular Biology
> >     and Genetics, Democritus University of Thrace, University Campus,
> >  Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
> >    Ext.77620, Tel (lab) +302551030615, http://utopia.duth.gr/~glykos/
> >
> 

-- 
            Nicholas M. Glykos, Department of Molecular Biology
     and Genetics, Democritus University of Thrace, University Campus,
  Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
    Ext.77620, Tel (lab) +302551030615, http://utopia.duth.gr/~glykos/

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