[Wien] error in run_lapw

[mohaddeseh abbasnejad]

Dear Dr. Blaha,

Thanks for your reply.
I have tested it for some examples including TiC, Rutile TiO2.
and in all cases, it has failed to run any more.

Yours,



On Fri, Oct 22, 2010 at 10:37 AM, Peter Blaha
<pblaha at theochem.tuwien.ac.at>wrote:

> 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
>>
>> ---------------------------------------------------------
>>
>>
>>
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>>
>
> --
>
>                                      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/
> --------------------------------------------------------------------------
> _______________________________________________
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>



-- 
---------------------------------------------------------

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
Website:  http://physics.ut.ac.ir

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