[Wien] error in mixer

Laurence Marks laurence.marks at gmail.com
Fri Apr 24 17:10:19 CEST 2020


This type of problem has been reported many times before. While there is
always the possibility that it is something in the mixer, in 99.9999% of
cases it occurs because some other program/step in the scf iteration has
failed. There are multiple possibilities:
a) Something went wrong in lapw2, e.g. ghostbands
b) Something went wrong in lapw1, e.g. no linearization energies found
c) Something went wrong in lcore
d) The case was run in a "dirty" directory, with case.*broyd* files left
over from another run.

Save the run, and re-initialize cleanly accepting all defaults then try
again.

On Fri, Apr 24, 2020 at 4:20 AM Mohad Abbasnejad <
mohaddeseh.abbasnejad at gmail.com> wrote:

> Dear experts,
>
> Hello every one.
> Recently, I have installed WIEN2k_19 on my system using intel ifort
> compiler 2013.5.192 and mkl. The program is compiled with the suggested
> compiler options.
> After running the scf calculations, I receive the following error in cycle
> 5 without any file describing the error.
> The following is what I got when the program is stopped.
>
> >   stop error
>
> error: command   /opt/install/WIEN2k_19.1/mixer mixer.def   failed
> 0.0u 0.0s 0:00.55 10.9% 0+0k 1792+1560io 1pf+0w
> >   mixer (04:56:54) Segmentation fault (core dumped)
> >   lcore (04:56:54) 0.0u 0.0s 0:00.02 100.0% 0+0k 0+1008io 0pf+0w
>
> Any help would be appreciated.
>
> Regards,
> Mohaddeseh
>
>   Mohaddeseh Abbasnejad,
> Assistant Professor of Physics,
> Faculty of Physics,
> Shahid Bahonar University of Kerman,
> Kerman, Iran
> P.O. Box 76169-133
> Tel: +98 34 31322199
> Fax: +98 34 33257434
> Cellphone: +98 917 731 7514
> E-Mail:     m.abbasnejad at gmail.com
> Website:  academicstaff.uk.ac.ir/moabbasnejad
> <https://urldefense.com/v3/__http://academicstaff.uk.ac.ir/moabbasnejad__;!!Dq0X2DkFhyF93HkjWTBQKhk!D3MRCkXjkXn9qoYtLfm2fNyZgEbrCf-orr33a9fSMt_Ne7ihdpjSIIVs7NXrdAbnhMTQiA$>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
>
> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!D3MRCkXjkXn9qoYtLfm2fNyZgEbrCf-orr33a9fSMt_Ne7ihdpjSIIVs7NXrdAaFcYITEw$
> SEARCH the MAILING-LIST at:
> https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!D3MRCkXjkXn9qoYtLfm2fNyZgEbrCf-orr33a9fSMt_Ne7ihdpjSIIVs7NXrdAaU-xLqXQ$
>


-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: www.numis.northwestern.edu/MURI
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20200424/d858f072/attachment.html>


More information about the Wien mailing list