Hi Jason,
This almost certainly comes from the parallelization work done recently. I
am just getting back on my feet after much travelling and a week off work
with a good dose of H1N1 (no need for the shot now ;-) ). So I will try and
take a look at this as soon as I can.
All the best
Ross
-----Original Message-----
From: amber-developers-bounces.ambermd.org
[mailto:amber-developers-bounces.ambermd.org] On Behalf Of Jason Swails
Sent: Sunday, October 04, 2009 4:34 PM
To: AMBER Developers Mailing List
Subject: Re: [AMBER-Developers] ptraj errors
Trajectory files are now created, but I'm still getting the same floating
point exception that I was getting before. Sometimes it prevents the
creation of the output, and other times it doesn't (though I don't know the
exact conditions of either case, the floating point exception always
appears). I've put the three files (mdcrd, prmtop, and ptraj input) that
caused this error in
http://qtp.ufl.edu/~swails/ptraj_files/ (since I don't
know how appropriate it is to attach files to emails sent to the listserv).
Any ideas?
Thanks,
Jason Swails
On Sun, Oct 4, 2009 at 5:29 PM, case <case.biomaps.rutgers.edu> wrote:
> On Fri, Oct 02, 2009, Jason Swails wrote:
> >
> > Recent versions of ptraj that I have checked out of the tree, the latest
> one
> > being this morning, have failed to create mdcrds,
>
> Should now be fixed (I hope) in CVS. I didn't see any floating point
> exceptions, but output trajectories should be written again.
>
> ...dac
>
>
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> AMBER-Developers.ambermd.org
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>
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Received on Mon Oct 05 2009 - 09:30:04 PDT
