<div dir="ltr">Hi Martin,<div><br></div><div>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.</div>
<div><br></div><div>Cheers,</div><div><br></div><div>Kevin</div><div><br></div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Wed, Sep 3, 2014 at 12:17 AM, Martin Kroeker <span dir="ltr"><<a href="mailto:martin@ruby.chemie.uni-freiburg.de" target="_blank">martin@ruby.chemie.uni-freiburg.de</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">I would expect the __APPLE__ define to come in automatically from your<br>
compiler and/or system headers.<br>
The NaNs are "interesting" - could this be another case of uninitialized<br>
array elements, just like the lapw0 bug you found last month ? Heap vs<br>
stack would then just change the likelyhood of obtaining (non-)zeroed<br>
memory on allocation...<br>
<span class="HOEnZb"><font color="#888888">--<br>
Dr. Martin Kroeker <a href="mailto:martin@ruby.chemie.uni-freiburg.de">martin@ruby.chemie.uni-freiburg.de</a><br>
c/o Prof.Dr. Caroline Roehr<br>
Institut fuer Anorganische und Analytische Chemie der Universitaet Freiburg<br>
<br>
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