[Wien] stop error

[Laurence Marks]

I think you will get more assistance if you update your version, quite
possibly the problem will go away. Beyond that check that you don't
have a format error in some of your input files.

On Wed, Sep 9, 2009 at 1:28 AM, sun <z.m.sun at aist.go.jp> wrote:
> Dear Wien2K users:
>
> I have a problem here with the Wien2K_08 and I hope to get some help
> here.
>
> I used Wien2K for some calculation with no problems for some 2 years.
> Recently I have bought a new work station and installed Wien2k there.
> The installation has finished with no error and I can run the program.
> But every time the program stopped with the following error messages
> shown in the dayfile:
>
>>   stop error
>
> error: command   /Wien2K09/lapw1 lapw1.def   failed
>>   lapw1       (12:00:46) 0.254u 0.011s 0:00.37 70.2%  0+0k 4216+672io 20pf+0w
>>   lapw0       (12:00:42) 3.022u 0.026s 0:03.12 97.4%  0+0k 3072+1096io 16pf+0w
>
>    cycle 1     (Wed Sep  9 12:00:42 JST 2009)  (40/99 to go)
>
>    start       (Wed Sep  9 12:00:42 JST 2009) with lapw0 (40/99 to go)
>
> on localhost.localdomain with PID 17348
> Calculating u1relax in /root/WIEN2k/u1relax
>
>
>
> or in the STDOUT file as:
>
>  LAPW0 END
> forrtl: severe (71): integer divide by zero
> Image              PC                Routine            Line        Source
> lapw1              00000000004DEA82  Unknown               Unknown  Unknown
> lapw1              00000000004DEC80  Unknown               Unknown  Unknown
> lapw1              00000000004D6468  Unknown               Unknown  Unknown
> lapw1              0000000000425438  hamilt_                   375  hamilt_tmp_.F
> lapw1              00000000004132C4  calkpt_                   156  calkpt_tmp_.F
> lapw1              0000000000441B43  MAIN__                     60  lapw1_tmp_.F
> lapw1              0000000000409FA2  Unknown               Unknown  Unknown
> libc.so.6          000000362111C40B  Unknown               Unknown  Unknown
> lapw1              0000000000409EEA  Unknown               Unknown  Unknown
>
>>   stop error
>
>
> I suspected some mistakes in the installations, but so for I have
> installed Wien2K exactly as I did in the other machine, for over 10
> times, but every time it ended up with the forementioned problem.
>
> I also tried the example calculation of TiC as provided in the manual,
> but the problem was the same.
>
> Sincerely I hope to hear some advice to help me out of this.
>
> Best regards.
>
> ZhengMing Sun
> @AIST, JAPAN
>
>
>
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> Wien at zeus.theochem.tuwien.ac.at
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>



-- 
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.