[Wien] error in run_lapw

[Peter Blaha]

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/
--------------------------------------------------------------------------