[DFTB-Plus-User] DFTB testing FAIL

[GENG SUN]

Hello Balint,

That's very helpful. Thank you very much!


Geng




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Geng Sun
Chemical and Biomolecular Engineering Department
University of California, Los Angeles CA, 90095
E-mail: gengsun at ucla.edu
Phone: +1(310)308-6689
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2017-05-28 23:42 GMT-07:00 Bálint Aradi <aradi at uni-bremen.de>:

> Dear Geng Sun,
>
> > I comment these lines in the makefile, so the time-dependent features
> > are not available
> > . I also attach the log file with this mail and everything looks fine.
> > Not run:
> >     timedep/C4H6-Singlet        timedep/2CH3-Triplet-Temp
> >     timedep/C4H6-Triplet        timedep/C66O10N4H44_Ewindow
> >     timedep/C4H6-S1-Force        timedep/C66O10N4H44_OscWindow
> >     timedep/C4H6-T1-Force        timedep/C60_EandOsc
> >     timedep/NO                timedep/C4H6-Singlet_wfn
> >     timedep/C6H6-Sym            timedep/C60_OscWindow
> >     timedep/C6H6-Sym_Arnoldi        timedep/cyclopentadienyl
> >     timedep/OCH2-S1-Opt            timedep/propadiene_OscWindow
> >     timedep/2CH3-Temp
> > ------------------------------------------------------------
> ------------------
> > Status: FAIL
> > ------------------------------------------------------------
> ------------------
> > Details in:
> >     _autotest/stderror.log
> >     _autotest/tagdiff.log
> > ============================================================
> ==================
>
> That's only an artefact of our test system. Although you did not include
> the time-dependent extension, the timedep steps are still started, but
> fail immediately (therefore the status not run) and change the overall
> test status to FAIL. As long as those are the only failing tests, you
> are fine. (We will fix that for the next release...)
>
>   Best regards,
>
>   Bálint
>
>
> --
> Dr. Bálint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> http://www.bccms.uni-bremen.de/cms/people/b-aradi/
>
>
>
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