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 Tue Jan 05 2010 - 18:30:02 PST
