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 <sajja...@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@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@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 > >
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