<div dir="ltr"><div class="gmail_default" style="font-family:monospace,monospace;font-size:small">Hello Balint,<br><br></div><div class="gmail_default" style="font-family:monospace,monospace;font-size:small">That's very helpful. Thank you very much!<br><br><br></div><div class="gmail_default" style="font-family:monospace,monospace;font-size:small">Geng<br></div></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><span style="font-size:10.5pt;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);font-family:Calibri,sans-serif;color:rgb(31,73,125)" lang="EN-US"><font face="times new roman,serif"> <br></font></span></div><div><span style="font-size:10.5pt;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);font-family:Calibri,sans-serif;color:rgb(31,73,125)" lang="EN-US"><font face="times new roman,serif"><br></font><br></span></div><div><span style="font-size:10.5pt;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);font-family:Calibri,sans-serif;color:rgb(31,73,125)" lang="EN-US">-------------------------------------------------------------------------</span></div><div><span style="font-size:10.5pt;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);font-family:Calibri,sans-serif;color:rgb(31,73,125)" lang="EN-US">Geng Sun<br>Chemical and Biomolecular Engineering Department<br>University of California, Los Angeles CA, 90095<br>E-mail: <a href="mailto:gengsun@ucla.edu" target="_blank">gengsun@ucla.edu</a><br></span></div><div><span style="font-size:10.5pt;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);font-family:Calibri,sans-serif;color:rgb(31,73,125)" lang="EN-US">Phone: +1(310)308-6689<br></span></div><div><span style="font-size:10.5pt;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);font-family:Calibri,sans-serif;color:rgb(31,73,125)" lang="EN-US">---------------------------------------------------------------------------</span></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>
<br><div class="gmail_quote">2017-05-28 23:42 GMT-07:00 Bálint Aradi <span dir="ltr"><<a href="mailto:aradi@uni-bremen.de" target="_blank">aradi@uni-bremen.de</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear Geng Sun,<br>
<br>
> I comment these lines in the makefile, so the time-dependent features<br>
> are not available<br>
> . I also attach the log file with this mail and everything looks fine.<br>
> Not run:<br>
>     timedep/C4H6-Singlet        timedep/2CH3-Triplet-Temp<br>
>     timedep/C4H6-Triplet        timedep/C66O10N4H44_Ewindow<br>
>     timedep/C4H6-S1-Force        timedep/C66O10N4H44_OscWindow<br>
>     timedep/C4H6-T1-Force        timedep/C60_EandOsc<br>
>     timedep/NO                timedep/C4H6-Singlet_wfn<br>
>     timedep/C6H6-Sym            timedep/C60_OscWindow<br>
>     timedep/C6H6-Sym_Arnoldi        timedep/cyclopentadienyl<br>
>     timedep/OCH2-S1-Opt            timedep/propadiene_OscWindow<br>
>     timedep/2CH3-Temp<br>
> ------------------------------<wbr>------------------------------<wbr>------------------<br>
> Status: FAIL<br>
> ------------------------------<wbr>------------------------------<wbr>------------------<br>
> Details in:<br>
>     _autotest/stderror.log<br>
>     _autotest/tagdiff.log<br>
> ==============================<wbr>==============================<wbr>==================<br>
<br>
That's only an artefact of our test system. Although you did not include<br>
the time-dependent extension, the timedep steps are still started, but<br>
fail immediately (therefore the status not run) and change the overall<br>
test status to FAIL. As long as those are the only failing tests, you<br>
are fine. (We will fix that for the next release...)<br>
<br>
  Best regards,<br>
<br>
  Bálint<br>
<span class="HOEnZb"><font color="#888888"><br>
<br>
--<br>
Dr. Bálint Aradi<br>
Bremen Center for Computational Materials Science, University of Bremen<br>
<a href="http://www.bccms.uni-bremen.de/cms/people/b-aradi/" rel="noreferrer" target="_blank">http://www.bccms.uni-bremen.<wbr>de/cms/people/b-aradi/</a><br>
<br>
<br>
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