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 > > > _______________________________________________ > 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.
