Regression testing CP2K 2.6.0

Justin Oelgoetz joel... at
Sun Jan 18 03:52:44 UTC 2015


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).



Justin Oelgoetz, Ph.D.
Associate Professor & Interim Chair
Department of Physics and Astronomy

XSEDE Campus Champion

Austin Peay State University
PO Box 4608
Clarksville, TN 37044

Office: SSC: B321

Phone: (931)221-6158
Fax:   (931)221-6129
oelg... at
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