[Wien] SIGSEGV fault error with mBJ

[Peter Blaha]

Please search the mailing list.

It was mentioned before that you have to fix fftpack (patch was in 
cluded in the mailing list), or you switch to FFTW2/3

On 03/19/2013 02:18 PM, Jameson Maibam wrote:
> Dear support
>   I tried to calculate the TiC simply for test. The scf cycle completes
> without any error. While the mBJ encounters the following type of error
> LAPW0 END
> forrtl: severe (174): SIGSEGV, segmentation fault occurred
> Image PC Routine Line Source
> lapw0 000000000040519B c3fft_1_ 119 fftpack_helpers.f
> lapw0 0000000000415128 fftpack_mp_c3fft_ 397 fft_modules.F
> lapw0 000000000048B865 vresp_ 106 vresp.F
> lapw0 00000000004A239D xcpot3_ 147 xcpot3.F
> lapw0 000000000046664E MAIN__ 1935 lapw0.F
> lapw0 00000000004039BC Unknown Unknown Unknown
> libc.so.6 0000003D1C01EC5D Unknown Unknown Unknown
> lapw0 00000000004038B9 Unknown Unknown Unknown
>>   stop error
> My computer is i3 hp desktop. I used intel fortran composer xe
> (l_fcompxe_2013.1.117.tgz) and wien2k 12. And my operating system is
> centos6.
> Help required.
> Thanks
> Yours sincerely
> Jameson Maibam
>
>
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> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: 
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