Dear Sikander, maybe this experience of mine can be helpful. I also once had similar problems calculating the bandstructure of a big system (the size WAS the problem since the code worked well for average size systems). It turned out to be a compiler issue: the problem was gone when GotoBlas library was used. That was version 07.2.
Good luck! Kateryna > Dear sir Peter Blaha > Yes sir i change the "xxxxx" by the fermi energy. > with regards > sikander > > > ________________________________ > From: Peter Blaha <pbl...@theochem.tuwien.ac.at> > To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> > Sent: Tuesday, September 10, 2013 6:43 PM > Subject: Re: [Wien] Regarding band structure > > > >> And after that i edited the >> edit.case.insp > > What did you do at this step ? > > Did your replace the "xxx" by your actual fermi energy ? > > >> and after that when i run the >> x spaghetti >> so i get this >> Commandline: *x spaghetti -c* >> Program input is: *""* >> >> number of k-points read in case.vector= 251 >> forrtl: severe (174): SIGSEGV, segmentation fault occurred >> 0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w >> error: command /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def >> failed >> >> >> ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------- >> *From:* Oleg Rubel <oru...@lakeheadu.ca> >> *To:* A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> >> *Sent:* Tuesday, September 10, 2013 5:28 PM >> *Subject:* Re: [Wien] Regarding band structure >> >> Did you run "x lapw1 -band" before? If not, the reason can be a mismatch >> between your k-list and the vector file. >> >> I do not want to discourage you, but the band structure for large sells >> (supercells) does not look very pretty. The density of states >> (especially PDOS) can be more informative. >> >> Oleg >> >> On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam <sikandar...@yahoo.com >> <mailto:sikandar...@yahoo.com>> wrote: >> >> Hello all >> I am facing the problem in plotting the band structure, especially >> for big compounds like biological compounds. >> I get this problem >> Commandline: *x spaghetti -c* >> Program input is: *""* >> >> number of k-points read in case.vector= 251 >> forrtl: severe (174): SIGSEGV, segmentation fault occurred >> 0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w >> error: command /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def >> failed >> >> please some one help me. >> thanks in advance >> with regards >> sikander Azam >> >> >> _______________________________________________ >> Wien mailing list >> Wien@zeus.theochem.tuwien.ac.at >> <mailto:Wien@zeus.theochem.tuwien.ac.at> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> SEARCH the MAILING-LIST at: >> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >> >> >> >> _______________________________________________ >> Wien mailing list >> Wien@zeus.theochem.tuwien.ac.at <mailto:Wien@zeus.theochem.tuwien.ac.at> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> SEARCH the MAILING-LIST at: >> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >> >> >> >> >> _______________________________________________ >> Wien mailing list >> Wien@zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> SEARCH the MAILING-LIST at: >> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >> > > -- > ----------------------------------------- > Peter Blaha > Inst. Materials Chemistry, TU Vienna > Getreidemarkt 9, A-1060 Vienna, Austria > Tel: +43-1-5880115671 > Fax: +43-1-5880115698 > email: pbl...@theochem.tuwien.ac.at > ----------------------------------------- > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html_______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html