Re: [AMBER-Developers] DFTB test in Amber 11 - seg fault (fwd)

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Mon, 8 Feb 2010 18:40:21 -0500

Hi Ben,

This is now bug 124
http://bugzilla.ambermd.org/show_bug.cgi?id=124
I hope to get my mac alive in the next few weeks.

Lets use bugzilla for this issue henceforth.

thanks,
Scott

On Sat, Feb 06, 2010 at 09:35:35AM -0500, Ben Roberts wrote:
> Hi Scott,
>
> I got bogged down working on other things for a bit. Rest assured that,
> as far as Amber development goes, it's next on my To Do list.
>
> I suspect it's still broken, unless someone has played around with that
> code since I last checked.
>
> Ben
>
> On Sat, 2010-02-06 at 00:33 -0500, Scott Brozell wrote:
> > Hi,
> >
> > What's the status on this ?
> >
> > Scott
> >
> > On Tue, Jan 05, 2010 at 09:19:41PM -0500, Ben Roberts wrote:
> > > Thanks Jason. Unfortunately (or perhaps fortunately, since at least it's
> > > within our power to fix), removing MKL doesn't help in this instance. At
> > > least it's one less source of complexity.
> > >
> > > Incidentally, I turned on some verbose warning options for icc and
> > > ifort. I'll begin by trawling through those logs and seeing if anything
> > > looks relevant. I did get a lot of warnings, but I'm not sure how
> > > serious any of them are.
> > >
> > > Jason Swails wrote:
> > > >Did you try it without the MKL? Perhaps there's a memory allocation
> > > >bug in the intel MKL... Although this might be wrong if DFTB doesn't
> > > >use any MKL subroutines.

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Received on Mon Feb 08 2010 - 16:00:04 PST
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