[Wien] An error during mBJ calculations

[Luis Ogando]

Hi Sajjad,

   Please see :
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07175.html

   In my case, the changes in vresp.F gave rise to compilation errors, but
my problem was solved changing only fft_modules.F.
All the best,
Luis


2013/5/18 Muhammad Sajjad <sajjadpu at gmail.com>

> 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
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130520/55a7a23c/attachment.htm>