[Wien] re : Wien2k_04 update

[L. D. Marks]

Your output indicates that you have a problem in lapw2 (not mini). Maybe
rerun init_lapw (?).

On Sat, 19 Jun 2004, George Amolo wrote:

> Dear laurence Marks, Wien2k users
>
> I have downloaded the complete Wien2k_04 version and installed it in a
> separate location from Wien2k_03. After having successfully compiled it I
> am having trouble running even the TiO2 I performed with the earlier
> version. Is there something I have forgotten to do? Do I need to remove
> the earlier version? Or should I individually download the bits I need and
> update Wien2k_03?
>
> My particular interest in the New Mini port gives an error of the form :
>
>
> Calculating tio2 in /mnt/home/amolo/tio2
> on indlovu.src.wits.ac.za
>
> >   start 	(Sat Jun 19 20:16:53 SAST 2004) with lapw0 (50/20 to go)
> >   lapw0 	(20:16:53) 8.520u 0.160s 0:09.32 93.1%	0+0k 0+0io 210pf+0w
> :FORCE convergence:  0 0.1 0 XCO 538.0515000000000000 ZCO
> >   lapw1   	(20:17:03) 42.190u 0.710s 0:44.76 95.8%	0+0k 0+0io 246pf+0w
> >   lapw2 	(20:17:48) Segmentation fault
> >0.410u 0.010s 0:01.01 41.5%	0+0k 0+0io 165pf+0w
> >   stop error
>
> Any suggestions? thank you in advance
> george
>
>
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-----------------------------------------------
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
mailto:L-marks at northwestern.edu
http://www.numis.northwestern.edu
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