First of all, you should always upgrade to the latest WIEN2k version. Second: You do not tell us any detail about the calculations. Is this TiC ? Could you run anything and only one particular case produces an error ?
Nobody can help you without details. Am 21.10.2010 19:56, schrieb mohaddeseh abbasnejad: > > Dear users, > > I have installed wien version 9 successfully (without any error) on my > computer (Linux CentOs 5.4, 2.6.18-164.el5 # x86_64 GNU/Linux), fortran > compiler ifort 10, using these > commands: > > O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -ip > -DINTEL_VML -traceback > L Linker Flags: $(FOPT) -L/opt/intel/mkl/9.0/lib/em64t > -lpthread > P Preprocessor flags '-DParallel' > R R_LIB (LAPACK+BLAS): -lmkl_lapack64 -lmkl_em64t -lguide -lvml > -pthread > > However, as I try to run the program by run_lapw, I receive this error and it > stops. > > LAPW0 END > forrtl: severe (71): integer divide by zero > Image PC Routine Line Source > lapw1 0000000000489A36 Unknown Unknown Unknown > lapw1 0000000000489C34 Unknown Unknown Unknown > lapw1 00000000004813E8 Unknown Unknown Unknown > lapw1 0000000000427454 hamilt_ 375 > hamilt_tmp_.F > lapw1 0000000000415210 calkpt_ 156 > calkpt_tmp_.F > lapw1 0000000000443D87 MAIN__ 60 > lapw1_tmp_.F > lapw1 000000000040C242 Unknown Unknown Unknown > libc.so.6 00000034FCA1D994 Unknown Unknown Unknown > lapw1 000000000040C169 Unknown Unknown Unknown > >> stop error > > I was wondering if anyone could help me. > Thanks in advance. > > Best regards, > --------------------------------------------------------- > > Mohaddeseh Abbasnejad, > Room No. 323, Department of Physics, > University of Tehran, North Karegar Ave., > Tehran, P.O. Box: 14395-547- IRAN > Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781 > Cellphone: +98 917 731 7514 > E-Mail: m.abbasnejad at gmail.com <mailto:m.abbasnejad at gmail.com> > Website: http://physics.ut.ac.ir > > --------------------------------------------------------- > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------