Dear <font size="2"><span>Laurence Marks, </span></font><br><br> 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)".<br>
<br>Thanking you again.<br><br>Debojyoti Mukherjee<br> <br><br><br><br><div class="gmail_quote">On Fri, Sep 4, 2009 at 5:34 PM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu">L-marks@northwestern.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">This error is due to a different length of your clmsum file for the<br>
older iterations compared to the current one. This can occur easily if<br>
you have changed something during a run (e.g. the number of LMs or<br>
PW's) although the mixer tries to catch that.<br>
<br>
Remove the old broyden files (rm *broyd* ) and continue. If you are<br>
still getting the error, ensure that you are using the latest mixer<br>
(update if needed). If these two do not work post again to the mailing<br>
list.<br>
<br>
2009/9/4 Debojyoti Mukherjee <<a href="mailto:debojyoti.kunal@gmail.com">debojyoti.kunal@gmail.com</a>>:<br>
<div><div></div><div class="h5">> Dear Wien users,<br>
> I am getting an error when carrying out volume<br>
> optimization of hexagonal structure containing three atoms.<br>
><br>
> "mixer.error" file contains the line<br>
><br>
> Error in MIXER<br>
><br>
> "case.dayfile" contains<br>
><br>
> error: command /home/debojyoti/wien2k/mixer mixer.def failed<br>
><br>
> and the nohup.out file has the message<br>
><br>
> in cycle 9 ETEST: .0030660000000000 CTEST: .0183225<br>
> 974 hup: Command not found.<br>
> 975 Invalid null command.<br>
> 976 LAPW0 END<br>
> 977 Invalid null command.<br>
> 978 LAPW1 END<br>
> 979 Invalid null command.<br>
> 980 LAPW2 END<br>
> 981 Invalid null command.<br>
> 982 CORE END<br>
> 983 Invalid null command.<br>
> 984 forrtl: severe (67): input statement requires too much data, unit 32,<br>
> file /home/debojyoti/tahex/tahex.b royd2007<br>
> 985 Image PC Routine Line Source<br>
> 986 mixer 080E95DD Unknown Unknown Unknown<br>
> 987 mixer 080E83D5 Unknown Unknown Unknown<br>
> 988 mixer 080B7068 Unknown Unknown Unknown<br>
> 989 mixer 08080BC9 Unknown Unknown Unknown<br>
> 990 mixer 0808055B Unknown Unknown Unknown<br>
> 991 mixer 0809AAFF Unknown Unknown Unknown<br>
> 992 mixer 080992C0 Unknown Unknown Unknown<br>
> 993 mixer 0806A256 Unknown Unknown Unknown<br>
> 994 mixer 0805BEE4 Unknown Unknown Unknown<br>
> 995 mixer 08049CF1 Unknown Unknown Unknown<br>
> 996 libc.so.6 4006D775 Unknown Unknown Unknown<br>
> 997 mixer 08049C01 Unknown Unknown Unknown<br>
> 998<br>
> 999 > stop error<br>
><br>
> It seems to be the problem of data reading error. But, can anyone please<br>
> tell me why this problem is coming and how solve this?<br>
><br>
><br>
> Debojyoti Mukherjee<br>
><br>
><br>
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><br>
><br>
<br>
<br>
<br>
--<br>
Laurence Marks<br>
Department of Materials Science and Engineering<br>
MSE Rm 2036 Cook Hall<br>
2220 N Campus Drive<br>
Northwestern University<br>
Evanston, IL 60208, USA<br>
Tel: (847) 491-3996 Fax: (847) 491-7820<br>
email: L-marks at northwestern dot edu<br>
Web: <a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a><br>
Chair, Commission on Electron Crystallography of IUCR<br>
<a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu/</a><br>
Electron crystallography is the branch of science that uses electron<br>
scattering to study the structure of matter.<br>
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</blockquote></div><br>