Hi Martin, thanks, that's reassuring that there shouldn't be a problem with the __APPLE__ statements. It's indeed possible that the NaN's are a harmless unitialized field that will be initialized at the proper time -- I don't know. Jianxin Zhu reported that issue and I merely passed it on. I don't have much time this week or next, unfortunately. My hope is that someone in the WIEN community can shed light on the behavior we observed.
Cheers, Kevin On Wed, Sep 3, 2014 at 12:17 AM, Martin Kroeker < mar...@ruby.chemie.uni-freiburg.de> wrote: > I would expect the __APPLE__ define to come in automatically from your > compiler and/or system headers. > The NaNs are "interesting" - could this be another case of uninitialized > array elements, just like the lapw0 bug you found last month ? Heap vs > stack would then just change the likelyhood of obtaining (non-)zeroed > memory on allocation... > -- > Dr. Martin Kroeker mar...@ruby.chemie.uni-freiburg.de > c/o Prof.Dr. Caroline Roehr > Institut fuer Anorganische und Analytische Chemie der Universitaet Freiburg > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
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