Re: [AMBER] tleap problems in Fedora Core 12

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 17 May 2010 14:54:54 -0400

On Mon, May 17, 2010 at 2:49 PM, Omair A. Khan <oak3.psu.edu> wrote:

> Do you think the problem could be resolved if I use a different compiler?
> If
> so, which would you suggest? Or should I simply switch to using sleap? (Are
> the commands the same?)
>

switching to sleap worked for me, and I think that's the ultimate direction
we're trying to move to, anyway...

All the best,
Jason


>
> Omair
>
> On 14 May 2010 21:17, case <case.biomaps.rutgers.edu> wrote:
>
> > On Fri, May 14, 2010, Jason Swails wrote:
> > >
> > > I just got a segfault with tleap while trying to prepare a new system.
> > It
> > > didn't occur loading a library, strictly, but it was certainly related
> to
> > > the library being loaded. It was a custom ligand for which I created
> an
> > OFF
> > > library file (saveoff). The library and the associated PDB file would
> > each
> > > load separately, but trying to load the PDB after the library gave a
> > > segfault.
> > >
> > > As a note, the compiler I used was icc 11.1.069 .
> > > The file is accessible at
> > > http://crunch.qtp.ufl.edu/~swails/Files/tleap_segfault.tgz<http://crunch.qtp.ufl.edu/%7Eswails/Files/tleap_segfault.tgz>
> >
> > I can confirm the segfault with gcc 4.4.0 on OSX 10.5.8. So it doesn't
> > appear
> > to be compiler-specific. But I'm travelling for the next week, and may
> not
> > have much time to investigate....
> >
> > ...dac
> >
> >
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> >
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-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Mon May 17 2010 - 12:00:11 PDT
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