Does gdb tell you what the value of "i" is at that point in the loop? I'm
wondering if it's a free ion and no bonded partners exist... In this case,
you wouldn't want to run GB calculations, anyway, right?
(Also, what string is mangled?).
All the best,
Jason
On Wed, Jan 18, 2012 at 5:44 AM, Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk
> wrote:
> Hi,
>
> chamber from the AmberTools 1.5 segfaults on one of my PSF files.
>
> Last output:
>
> --- Found all ATOM TYPES in topology file
>
> Gdb tells me
>
> Program received signal SIGSEGV, Segmentation fault.
> 0x0807880f in get_gbradii (rs=2) at _gbradii.f:91
> 91 currently_bonded_atom = element
> ( locattype( bonded_list(1, i) ) )
>
> Commenting out the call to get_gbradii in psfprm.f produces the output
> files as expected except for the missing GB radii in the top file
> (and a mangled string just above %FLAG RADII).
>
>
> Thanks,
> Hannes
> --
> Scanned by iCritical.
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Jan 18 2012 - 06:30:03 PST
