[Wien] mbj-lda error

Gavin Abo gsabo at crimson.ua.edu
Mon Oct 8 10:04:27 CEST 2012


Read the previous posts on the mailing list such as:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-October/017741.html
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-September/017608.html

On 10/8/2012 12:29 AM, Hefei Hu wrote:
> Dear all,
>
> I am trying to set up a mbj-lda calculation. After following the steps
> in the UG, I always got an error in the very beginning of the mbj-lda
> calculation. I checked all the input files, including *.in0, *.in0_grr
> *.inm, *inm_vresp, but didn't find anything wrong. Attached below is
> the error message after lapw0 -grr. Any suggestions?
>
> Thanks,
>
> Hefei
>
>
>   LAPW0 END
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image              PC        Routine            Line        Source
> lapw0              08049FBF  c3fft_1_                  119  fftpack_helpers.f
> lapw0              0804F125  fftpack_mp_c3fft_         397  fft_modules.F
> lapw0              0809981E  vresp_                    106  vresp.F
> lapw0              080AA168  xcpot3_                   147  xcpot3.F
> lapw0              080718F5  MAIN__                   1935  lapw0.F
> lapw0              080482A1  Unknown               Unknown  Unknown
> lapw0              08138170  Unknown               Unknown  Unknown
> lapw0              08048161  Unknown               Unknown  Unknown
>
>>    stop error
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