[Wien] stop error

[sun]

Thanks a lot for your advice.
Actually I used exactly the same structure file and exactly the same
input for the runs as used in the other system which worked.
I also tried the new version of Wien2K which did not work either.
However, I will try the new version again.
Thanks again.

ZM


On Fri, 11 Sep 2009 07:38:21 -0500
Laurence Marks <L-marks at northwestern.edu> wrote  

> 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
> >
> >
> >
> > _______________________________________________
> > 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.
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien