[Wien] Error in mixer file

[Debojyoti Mukherjee]

Dear Laurence Marks,

          Thank you very much for your reply. today I found the same problem
with a simple calculation at the time of initialisation. At third iteration,
the program stopped with the same error. I didn't change and save any file
during this run. I am using WIEN2k_09.1 (Release 5/2/2009) version. By the
way, I did not understand what you want to mean by telling "ensure that you
are using the latest mixer (update if needed)".

Thanking  you again.

Debojyoti Mukherjee




On Fri, Sep 4, 2009 at 5:34 PM, Laurence Marks <L-marks at northwestern.edu>wrote:

> This error is due to a different length of your clmsum file for the
> older iterations compared to the current one. This can occur easily if
> you have changed something during a run (e.g. the number of LMs or
> PW's) although the mixer tries to catch that.
>
> Remove the old broyden files (rm *broyd* ) and continue. If you are
> still getting the error, ensure that you are using the latest mixer
> (update if needed). If these two do not work post again to the mailing
> list.
>
> 2009/9/4 Debojyoti Mukherjee <debojyoti.kunal at gmail.com>:
> > Dear Wien users,
> >                    I am getting an error when carrying out volume
> > optimization of hexagonal structure containing three atoms.
> >
> > "mixer.error" file contains the line
> >
> >  Error in MIXER
> >
> > "case.dayfile" contains
> >
> > error: command   /home/debojyoti/wien2k/mixer mixer.def   failed
> >
> > and the nohup.out file has the message
> >
> > in cycle 9    ETEST: .0030660000000000   CTEST: .0183225
> >  974 hup: Command not found.
> >  975 Invalid null command.
> >  976  LAPW0 END
> >  977 Invalid null command.
> >  978  LAPW1 END
> >  979 Invalid null command.
> >  980  LAPW2 END
> >  981 Invalid null command.
> >  982  CORE  END
> >  983 Invalid null command.
> >  984 forrtl: severe (67): input statement requires too much data, unit
> 32,
> > file /home/debojyoti/tahex/tahex.b     royd2007
> >  985 Image              PC        Routine            Line        Source
> >  986 mixer              080E95DD  Unknown               Unknown  Unknown
> >  987 mixer              080E83D5  Unknown               Unknown  Unknown
> >  988 mixer              080B7068  Unknown               Unknown  Unknown
> >  989 mixer              08080BC9  Unknown               Unknown  Unknown
> >  990 mixer              0808055B  Unknown               Unknown  Unknown
> >  991 mixer              0809AAFF  Unknown               Unknown  Unknown
> >  992 mixer              080992C0  Unknown               Unknown  Unknown
> >  993 mixer              0806A256  Unknown               Unknown  Unknown
> >  994 mixer              0805BEE4  Unknown               Unknown  Unknown
> >  995 mixer              08049CF1  Unknown               Unknown  Unknown
> >  996 libc.so.6          4006D775  Unknown               Unknown  Unknown
> >  997 mixer              08049C01  Unknown               Unknown  Unknown
> >  998
> >  999 >   stop error
> >
> > It seems to be the problem of data reading error. But, can anyone please
> > tell me why this problem is coming and how solve this?
> >
> >
> > Debojyoti Mukherjee
> >
> >
> > _______________________________________________
> > 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 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
>
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