[DFTB-Plus-User] Test doesn't work well.

[Bálint Aradi]

Dear Toshiki Mima,

  It seems, that in the cases you have the mismatch in the autotest, the
code could not read in the eigenvalues from the SK-files properly. Also
an other user reported this bug recently, and we're quite puzzled, as we
can't reproduce the effect. Therefore, two questions:

1) Could you exactly specify, which compiler (and exactly which version)
and which MKL-Libray you use?

2) Additionally, to test if it is a compiler problem, could you please
download the binary version of DFTB+ provided on the website and try to
run the tests with that binary.

 Thanks.

 Best regards

  Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/en/~b_aradi


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