<div dir="ltr"><span style="font-size:13px;font-family:Arial,Helvetica,sans-serif">All,</span><div style="font-size:13px;margin:0px;padding:0px;border:0px;vertical-align:baseline;font-family:Arial,Helvetica,sans-serif"><br></div><div style="font-size:13px;margin:0px;padding:0px;border:0px;vertical-align:baseline;font-family:Arial,Helvetica,sans-serif">I'm in the process of testing an installation using the regression tests provided as part of the source distribution. I have a handful which are giving wrong results (versus the precompiled binary, cp2k-2.6.0-Linux-x86_64.sopt). I'd like to trace what compilation flags/libraries cause the larger differences. Would any of you developed be able to tell me what compiler options were used to compile cp2k 2.6.0 and information about its dependent libraries (compilation flags, and versions for libint, libxc, etc).</div><div style="font-size:13px;margin:0px;padding:0px;border:0px;vertical-align:baseline;font-family:Arial,Helvetica,sans-serif"><br></div><div style="font-size:13px;margin:0px;padding:0px;border:0px;vertical-align:baseline;font-family:Arial,Helvetica,sans-serif">Thanks,</div><div style="font-size:13px;margin:0px;padding:0px;border:0px;vertical-align:baseline;font-family:Arial,Helvetica,sans-serif"><br></div><div style="font-size:13px;margin:0px;padding:0px;border:0px;vertical-align:baseline;font-family:Arial,Helvetica,sans-serif">Justin</div><div><div class="gmail_signature"><br><div><div class="gmail_signature"><div><div class="gmail_signature">--<br>Justin Oelgoetz, Ph.D.<br>Associate Professor & Interim Chair<br>Department of Physics and Astronomy<br><br>XSEDE Campus Champion<br><br>Austin Peay State University<br>PO Box 4608<br>Clarksville, TN 37044<br><br>Office: SSC: B321<br><br>Phone: (931)221-6158<br>Fax: (931)221-6129<br><a href="mailto:oelg...@apsu.edu" target="_blank">oelg...@apsu.edu</a><br><a href="http://www.apsu.edu/oelgoetzj" target="_blank">http://www.apsu.edu/oelgoetzj</a></div></div></div></div></div></div><div><div class="gmail_signature"><div><div class="gmail_signature">
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