[Wien] cholesky INFO error in Mn doped Bi supercell calculation

[Laurence Marks]

Please use
http://zeus.theochem.tuwien.ac.at/cgi-bin/wien2k_mailing_search.pl and enter
cholesky -- you will see explanations.

2011/2/9 shamik chakrabarti <shamikphy at gmail.com>

> Dear wien2k users,
>
>                            We are running a calculation for Mn doped Bi
> supercell. There are total 24 atoms in the cell in which two are Mn atoms.
> When we started SCF calculation it has stopped after 8th iteration showing
> error in lapw1. After opening the lapw1.error file we get:
>
> 'cholesky INFO = 2923
> 'SECLR4' - PORTF (scalapack/LAPACK) failed
>
> we have no idea what these errors are all about. Please let us know how to
> remove these errors and go for further calculation. Any response in this
> regard will be very helpful for us.
>
> with best regards,
>
> --
> Shamik Chakrabarti
> Research Scholar
> Dept. of Physics & Meteorology
> Material Processing & Solid State Ionics Lab
> IIT Kharagpur
> Kharagpur 721302
> INDIA
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>


-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering and imaging to study the structure of matter.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110209/9f7fe33f/attachment.htm>