[DFTB-Plus-User] DFTB testing FAIL

Bálint Aradi aradi at uni-bremen.de
Mon May 29 08:42:49 CEST 2017

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,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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