It looks like either clmextrapol failed or lapw0. More specific information may be in *.error (e.g. cat *.error) or by reading the appropriate lapw0.output0* and similar, looking at the end. Please see the mailing list instructions for what is needed, e.g. your struct file.
However, you are using Wien2k 14, i.e. a version that is 7 years old. Why? Many, many improvements have been made and bugs cured. While you probably have an error in what you are doing, there is a small chance that it is in your obsolete version. If you have a legal version you should update. I do suspect that it is not legal.... _____ Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Györgyi www.numis.northwestern.edu On Sat, May 15, 2021, 04:03 Karima Karim <karima...@yahoo.fr> wrote: > dear wien2k users > > I am using wien2k 14 in ubuntu 16.04 and when I run optimisation, , I > am getting the errors . I could not solve this problem.please help me > > STOP DSTART ENDS > 12.3u 0.0s 0:12.49 98.9% 0+0k 0+560io 0pf+0w > STOP DSTART ENDS > 13.1u 0.0s 0:13.17 99.8% 0+0k 0+576io 0pf+0w > running dstart in single mode > STOP DSTART ENDS > 18.3u 0.0s 0:18.41 99.7% 0+0k 24+592io 0pf+0w > 0.1u 0.0s 0:00.14 92.8% 0+0k 48+536io 1pf+0w > clmextrapol_lapw has generated a new SrZrO3.clmsum > hup: Command not found. > Note: The following floating-point exceptions are signalling: IEEE_DENORMAL > STOP LAPW0 END > Note: The following floating-point exceptions are signalling: > IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG IEEE_UNDERFLOW_FLAG > IEEE_DENORMAL > STOP LAPW1 END > Note: The following floating-point exceptions are signalling: > IEEE_INVALID_FLAG IEEE_DENORMAL > STOP LAPW2 END > STOP CORE END > *** Error in `/home/mounir/wien2k/mixer': malloc(): memory corruption: > 0x0997ad00 *** > ======= Backtrace: ========= > /lib/i386-linux-gnu/libc.so.6(+0x67387)[0x40241387] > /lib/i386-linux-gnu/libc.so.6(+0x6d307)[0x40247307] > /lib/i386-linux-gnu/libc.so.6(+0x6f432)[0x40249432] > /lib/i386-linux-gnu/libc.so.6(__libc_malloc+0xc5)[0x4024b085] > /lib/i386-linux-gnu/libc.so.6(strndup+0x2c)[0x4024f3fc] > /usr/lib/i386-linux-gnu/libgfortran.so.3(+0x1334c)[0x4006b34c] > /usr/lib/i386-linux-gnu/libgfortran.so.3(+0xb3784)[0x4010b784] > /usr/lib/i386-linux-gnu/libgfortran.so.3(+0xc28bd)[0x4011a8bd] > /home/mounir/wien2k/mixer[0x804a49d] > /home/mounir/wien2k/mixer[0x805647b] > /home/mounir/wien2k/mixer[0x80493be] > /lib/i386-linux-gnu/libc.so.6(__libc_start_main+0xf7)[0x401f2647] > /home/mounir/wien2k/mixer[0x80493df] > ======= Memory map: ======== > 08048000-08145000 r-xp 00000000 08:17 1838483 /home/mounir/wien2k/mixer > 08145000-08146000 r--p 000fc000 08:17 1838483 /home/mounir/wien2k/mixer > 08146000-08147000 rw-p 000fd000 08:17 1838483 /home/mounir/wien2k/mixer > 08147000-081c0000 rw-p 00000000 00:00 0 > 09940000-099a4000 rw-p 00000000 00:00 0 [heap] > 40016000-40039000 r-xp 00000000 08:15 654166 > /lib/i386-linux-gnu/ld-2.23.so > 40039000-4003a000 r--p 00022000 08:15 654166 > /lib/i386-linux-gnu/ld-2.23.so > 4003a000-4003b000 rw-p 00023000 08:15 654166 > /lib/i386-linux-gnu/ld-2.23.so > 4003b000-4003d000 r--p 00000000 00:00 0 [vvar] > 4003d000-4003e000 r-xp 00000000 00:00 0 [vdso] > 4003e000-40040000 rw-p 00000000 00:00 0 > 40058000-40165000 r-xp 00000000 08:15 786938 > /usr/lib/i386-linux-gnu/libgfortran.so.3.0.0 > 40165000-40166000 ---p 0010d000 08:15 786938 > /usr/lib/i386-linux-gnu/libgfortran.so.3.0.0 > 40166000-40167000 r--p 0010d000 08:15 786938 > /usr/lib/i386-linux-gnu/libgfortran.so.3.0.0 > 40167000-40168000 rw-p 0010e000 08:15 786938 > /usr/lib/i386-linux-gnu/libgfortran.so.3.0.0 > 40168000-401bb000 r-xp 00000000 08:15 654172 > /lib/i386-linux-gnu/libm-2.23.so > 401bb000-401bc000 r--p 00052000 08:15 654172 > /lib/i386-linux-gnu/libm-2.23.so > 401bc000-401bd000 rw-p 00053000 08:15 654172 > /lib/i386-linux-gnu/libm-2.23.so > 401bd000-401d9000 r-xp 00000000 08:15 655654 > /lib/i386-linux-gnu/libgcc_s.so.1 > 401d9000-401da000 rw-p 0001b000 08:15 655654 > /lib/i386-linux-gnu/libgcc_s.so.1 > 401da000-4038a000 r-xp 00000000 08:15 654224 > /lib/i386-linux-gnu/libc-2.23.so > 4038a000-4038b000 ---p 001b0000 08:15 654224 > /lib/i386-linux-gnu/libc-2.23.so > 4038b000-4038d000 r--p 001b0000 08:15 654224 > /lib/i386-linux-gnu/libc-2.23.so > 4038d000-4038e000 rw-p 001b2000 08:15 654224 > /lib/i386-linux-gnu/libc-2.23.so > 4038e000-40391000 rw-p 00000000 00:00 0 > 40391000-40423000 r-xp 00000000 08:15 791447 > /usr/lib/i386-linux-gnu/libquadmath.so.0.0.0 > 40423000-40424000 r--p 00091000 08:15 791447 > /usr/lib/i386-linux-gnu/libquadmath.so.0.0.0 > 40424000-40425000 rw-p 00092000 08:15 791447 > /usr/lib/i386-linux-gnu/libquadmath.so.0.0.0 > 40425000-40909000 rw-p 00000000 00:00 0 > 40a00000-40a21000 rw-p 00000000 00:00 0 > 40a21000-40b00000 ---p 00000000 00:00 0 > bf95b000-bf97d000 rw-p 00000000 00:00 0 [stack] > > Program received signal SIGABRT: Process abort signal. > > Backtrace for this error: > #0 0x4006BC66 > #1 0x4006AD0E > #2 0x4003DC13 > #3 0x4003DC31 > #4 0x40205EB8 > #5 0x40207416 > #6 0x4024138B > #7 0x40247306 > #8 0x40249431 > #9 0x4024B084 > #10 0x4024F3FB > #11 0x4006B34B > #12 0x4010B783 > #13 0x4011A8BC > #14 0x804A49C in integrn_ > #15 0x805647A in MAIN__ at mixer.F:? > > > stop error > ERROR status in SrZrO3_vol_-10.0 > > > > > > w2web © luitz.at > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > > https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!BZt3BaA_B_tv41SsKRUmc0xuTeiuxOgkE-cekfTUOwDrpkzQR6Bnq8Cx5y9QccBmbasHiQ$ > SEARCH the MAILING-LIST at: > https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!BZt3BaA_B_tv41SsKRUmc0xuTeiuxOgkE-cekfTUOwDrpkzQR6Bnq8Cx5y9QccAY5AeMKg$ >
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