[Wien] Problems in the 1st step of the SCF cycle of mBj

Parker, David S. parkerds at ornl.gov
Thu Aug 23 15:22:45 CEST 2012


I have had this problem too, only with mBJ, in the latest (2012) version
of WIEN, which I solved by using an earlier (in this case 2010) version of
lapw0 in WIENROOT.  This is obviously not an ideal solution, however, and
I wonder if there is a better way - perhaps a compilation option? - David
Parker

On 8/23/12 9:12 AM, "eitel at iflysib.unlp.edu.ar"
<eitel at iflysib.unlp.edu.ar> wrote:

>Dear Wien users,
>
>I have had problems when I try to run the cycle mBJ, on in the first
>iteration, the error is:
>
>  LAPW0 END
>forrtl: severe (174): SIGSEGV, segmentation fault occurred
>Image              PC                Routine            Line        Source
>lapw0              0000000000404F58  c3fft_1_                  119
>fftpack_helpers.f
>lapw0              0000000000411EC1  fftpack_mp_c3fft_         397
>fft_modules.F
>lapw0              000000000047B3ED  vresp_                    106
>vresp.F
>lapw0              00000000004913E8  xcpot3_                   147
>xcpot3.F
>lapw0              00000000004582D9  MAIN__                   1935
>lapw0.F
>lapw0              0000000000403CEC  Unknown               Unknown
>Unknown
>libc.so.6          00002B57EE0B7EFF  Unknown               Unknown
>Unknown
>lapw0              0000000000403BE9  Unknown               Unknown
>Unknown
>
>>   stop error
>
>can someone tell me what is the origin for this error?
>
>   Thanking in advance.
>
>   Eitel Peltzer
>
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