[Wien] Error in mixer file

[Laurence Marks]

Please download the very latest version from the web page and compile
it -- to ensure that this is not an issue (some updates go directly
onto the web page prior to a new release). This will remove
ambiguities so we know exactly what you are using. If there is still a
problem and you cannot cure it by deleting the *broyd* files and
continuing please let me know (perhaps use my direct email).

2009/9/8 Debojyoti Mukherjee <debojyoti.kunal at gmail.com>:
> 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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>
>



-- 
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.