Dear Prof. Blaha and WIEN2k users I am using WIEN2k 12.1 version. I had compiled through intel_compser_xe_2013.5.192. I had done the calculations of a spinel compound succesfully with GGA. But while doing the calculations with mBJ while running mbj SCF I got the following error:
[saurabh@saurabh fecr2s4]$ runsp_lapw LAPW0 END forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source lapw0 000000000040524B c3fft_1_ 119 fftpack_helpers.f lapw0 00000000004151D8 fftpack_mp_c3fft_ 397 fft_modules.F lapw0 000000000048BAA5 vresp_ 106 vresp.F lapw0 00000000004A25DD xcpot3_ 147 xcpot3.F lapw0 000000000046691E MAIN__ 1935 lapw0.F lapw0 0000000000403A6C Unknown Unknown Unknown libc.so.6 0000003881E2169D Unknown Unknown Unknown lapw0 0000000000403969 Unknown Unknown Unknown > stop error [saurabh@saurabh fecr2s4]$ Plz help to remove the problem. Thanking you, Yours sincerely, Saurabh Samanta
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