[Wien] An error during mBJ calculations

Muhammad Sajjad sajjadpu at gmail.com
Sat May 18 11:05:25 CEST 2013


Dear WIen2k users

I am using Wien2k 12 version
I am performing mBj calculations. In the last step when I give the command
runsp_lapw -cc 0.00001 -in1new 2 -i 100

The following error appeared.

[msajjad at msajjad SCF1]$ runsp_lapw -cc 0.00001 -in1new 2 -i 100
 LAPW0 END
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line
Source
lapw0              0000000000404BF6  c3fft_1_                  119
fftpack_helpers.f
lapw0              0000000000412829  fftpack_mp_c3fft_         397
fft_modules.F
lapw0              000000000047E542  vresp_                    106  vresp.F
lapw0              0000000000493E18  xcpot3_                   147  xcpot3.F
lapw0              000000000044BF0E  MAIN__                   1935  lapw0.F
lapw0              00000000004038EC  Unknown               Unknown  Unknown
libc.so.6          00000034BF01ECDD  Unknown               Unknown  Unknown
lapw0              00000000004037E9  Unknown               Unknown  Unknown

>   stop error

Can someone please help to overcome this problem?

Regards
M. Sajjad
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