[Wien] runsp_c_lapw issue [unmatched] >> It seems, it not harmful

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Fri Nov 25 11:46:37 CET 2016


Dear Elias
Thank you very much for kind and informative response.
I do not see that the "unmatched ." message is harmful.

See my point by point reply on your question:

[Wien] runsp_c_lapw issue [unmatched] not solved even after looking on
mailing list
<http://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=subject:%22%5C%5BWien%5C%5D+runsp_c_lapw+issue+%5C%5Bunmatched%5C%5D+not+solved+even+after+looking+on+mailing+list%22&o=newest>

Ah, the csh!  You have got to love a good error message.

First question: Does the calculation stop there?  I am under the
impression that sometimes this “Unmatched "” is sometimes “harmless”.
If so, is there any other error message?  “Unmatched "” is not even
the last output.


Reply: No, scf conversed without any problem.

Second question: are those asterisks (*) part of the output or did you
add them?

Reply:  I added these asterisks (*)


> kcbhamu at Lenovo-B570:~/wien_work/test_case/AAO_LU_50$ csh -v
> $WIENROOT/run_lapw -NI -i 1

Third question: You wrote ‘runsp_c’ gave you problems but ‘runsp’
works fine, yet now you are testing ‘run’.  What gives?


*Additional information: *
Conclusion about commands:
runsp_c -orb   >> gives same message
runsp_c   >> gives same message
runsp -orb  >>>> works fine
runsp >>>> works fine
run  >>> does not work with DFT+U case


Reply:  I invoke only "run" for a DFT+U case then it gives me:

*bhamu_xxxxxxx$* run
hup: Command not found.
 LAPW0 END
LAPW1 - Error

>   stop error
*bhamu_xxxxx$* *cat *.error*
 'INILPW' - can't open unit:  18

 'INILPW' -        filename: AAO_LU_50.vsp

 'INILPW' -          status: old          form: formatted

 'LAPW1' - INILPW aborted unsuccessfully.
*Bhamu_xxxx$ *

Reply for your final query:
*bhamu_xxxx$* csh --version
$?tcsh: No match.
*bhamu_xxxx$*tcsh --version
tcsh 6.18.01 (Astron) 2012-02-14 (x86_64-unknown-linux) options
wide,nls,dl,al,kan,rh,nd,color,filec
*bhamu_xxxx$*$




Sincerely

Bhamu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20161125/8f8df47f/attachment.html>


More information about the Wien mailing list