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

From: Scott Brozell <>
Date: Sat, 6 Feb 2010 00:33:33 -0500


What's the status on this ?


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 Fri Feb 05 2010 - 22:00:03 PST
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