[Wien] FFTW error in hybrid functional of Silicon

Myungchul Jung kangbugy at gmail.com
Thu Jul 24 06:56:02 UTC 2014


Dear users,

I try to calculate the energy gap of silicon using hybrid functional with
Wien2k ver. 13.
I get a problem like below.


/opt/WIEN2k_13/runsp_lapw -hf
 LAPW0 END
 LAPW0 END
 LAPW1 END
 LAPW1 END
 LAPW2 END
 LAPW2 END
 CORE  END
 CORE  END
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source

libfftw.so.2       00002B11A6FE297B  Unknown               Unknown  Unknown
libfftw.so.2       00002B11A6FDDE46  Unknown               Unknown  Unknown
libfftw.so.2       00002B11A6FE4069  Unknown               Unknown  Unknown
hf                 00000000004A809D  exec_fftw_                 56
fftw_seq_tmp_.F
hf                 000000000041484F  c3fft_                    114
c3fft_tmp_.F
hf                 000000000044ADC0  calc_h_                   161
calc_h_tmp_.F
hf                 00000000004A875F  MAIN__                     66  hf.f
hf                 00000000004058BC  Unknown               Unknown  Unknown
libc.so.6          000000313321ECDD  Unknown               Unknown  Unknown
hf                 00000000004057B9  Unknown               Unknown  Unknown

>   stop error



However, when I calculate with ver.12, I can get the solution without any
errors.

Please give some comment.


Sincererly,

Myung-Chul.
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