[Wien] Error in spin orbit coupling

Riyajul Islam riyajul80 at gmail.com
Fri Nov 16 12:40:34 CET 2018


Dear Wien2k users, I am working on MnFe2O4 cubic structure on wien version
17.1 with OS centos7. During initso_lapw I am getting an error in x
symmetryso. In certain magnetization directions like (001), (010), (100)
)it is working but along (011), (110), (101), (111) I am getting error. I
have used the same parameters for all the cases during initialization and I
have got similar results from all of them. Here is what the error I am
getting

*** Error in `/home/dipraj/wien2k/symmetso': double free or corruption
(out): 0x0000000000b44500 ***
======= Backtrace: =========
/lib64/libc.so.6(+0x7c619)[0x2aaae345c619]
/home/dipraj/wien2k/symmetso[0x44e01b]
/home/dipraj/wien2k/symmetso[0x492653]
/home/dipraj/wien2k/symmetso[0x486da1]
/home/dipraj/wien2k/symmetso[0x44b808]
/home/dipraj/wien2k/symmetso[0x4075af]
/home/dipraj/wien2k/symmetso[0x40301e]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x2aaae3401c05]
/home/dipraj/wien2k/symmetso[0x402f29]
======= Memory map: ========
00400000-0051b000 r-xp 00000000 fd:02 75646
  /home/dipraj/wien2k/symmetso
0071a000-0071c000 r--p 0011a000 fd:02 75646
  /home/dipraj/wien2k/symmetso
0071c000-00726000 rw-p 0011c000 fd:02 75646
  /home/dipraj/wien2k/symmetso
00726000-00786000 rw-p 00000000 00:00 0
00ae2000-01afb000 rw-p 00000000 00:00 0                                  [heap]
2aaae2a9a000-2aaae2abb000 r-xp 00000000 fd:00 134250240
  /usr/lib64/ld-2.17.so
2aaae2abb000-2aaae2abd000 rw-p 00000000 00:00 0
2aaae2ada000-2aaae2b2b000 rw-p 00000000 00:00 0
2aaae2cbb000-2aaae2cbc000 r--p 00021000 fd:00 134250240
  /usr/lib64/ld-2.17.so
2aaae2cbc000-2aaae2cbd000 rw-p 00022000 fd:00 134250240
  /usr/lib64/ld-2.17.so
2aaae2cbd000-2aaae2cbe000 rw-p 00000000 00:00 0
2aaae2cbe000-2aaae2dbf000 r-xp 00000000 fd:00 134250255
  /usr/lib64/libm-2.17.so
2aaae2dbf000-2aaae2fbe000 ---p 00101000 fd:00 134250255
  /usr/lib64/libm-2.17.so
2aaae2fbe000-2aaae2fbf000 r--p 00100000 fd:00 134250255
  /usr/lib64/libm-2.17.so
2aaae2fbf000-2aaae2fc0000 rw-p 00101000 fd:00 134250255
  /usr/lib64/libm-2.17.so
2aaae2fc0000-2aaae2fd7000 r-xp 00000000 fd:00 134250273
  /usr/lib64/libpthread-2.17.so
2aaae2fd7000-2aaae31d6000 ---p 00017000 fd:00 134250273
  /usr/lib64/libpthread-2.17.so
2aaae31d6000-2aaae31d7000 r--p 00016000 fd:00 134250273
  /usr/lib64/libpthread-2.17.so
2aaae31d7000-2aaae31d8000 rw-p 00017000 fd:00 134250273
  /usr/lib64/libpthread-2.17.so
2aaae31d8000-2aaae31dc000 rw-p 00000000 00:00 0
2aaae31dc000-2aaae31de000 r-xp 00000000 fd:00 134250253
  /usr/lib64/libdl-2.17.so
2aaae31de000-2aaae33de000 ---p 00002000 fd:00 134250253
  /usr/lib64/libdl-2.17.so
2aaae33de000-2aaae33df000 r--p 00002000 fd:00 134250253
  /usr/lib64/libdl-2.17.so
2aaae33df000-2aaae33e0000 rw-p 00003000 fd:00 134250253
  /usr/lib64/libdl-2.17.so
2aaae33e0000-2aaae3598000 r-xp 00000000 fd:00 134250247
  /usr/lib64/libc-2.17.so
2aaae3598000-2aaae3798000 ---p 001b8000 fd:00 134250247
  /usr/lib64/libc-2.17.so
2aaae3798000-2aaae379c000 r--p 001b8000 fd:00 134250247
  /usr/lib64/libc-2.17.so
2aaae379c000-2aaae379e000 rw-p 001bc000 fd:00 134250247
  /usr/lib64/libc-2.17.so
2aaae379e000-2aaae37a3000 rw-p 00000000 00:00 0
2aaae37a3000-2aaae37b8000 r-xp 00000000 fd:00 134217804
  /usr/lib64/libgcc_s-4.8.5-20150702.so.1
2aaae37b8000-2aaae39b7000 ---p 00015000 fd:00 134217804
  /usr/lib64/libgcc_s-4.8.5-20150702.so.1
2aaae39b7000-2aaae39b8000 r--p 00014000 fd:00 134217804
  /usr/lib64/libgcc_s-4.8.5-20150702.so.1
2aaae39b8000-2aaae39b9000 rw-p 00015000 fd:00 134217804
  /usr/lib64/libgcc_s-4.8.5-20150702.so.1
2aaae4000000-2aaae4021000 rw-p 00000000 00:00 0
2aaae4021000-2aaae8000000 ---p 00000000 00:00 0
7ffc5151e000-7ffc51596000 rw-p 00000000 00:00 0                          [stack]
7ffc515f8000-7ffc515fa000 r-xp 00000000 00:00 0                          [vdso]
ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0
  [vsyscall]
Abort (core dumped)
0.398u 0.034s 0:01.20 35.0%	0+0k 0+23704io 0pf+0w
error: command   /home/dipraj/wien2k/symmetso upsymmetso.def   failed

Please help me solving this issue.

Thanking you
-- 
Riyajul Islam
Research Scholar
National Institute of Technology Nagaland
Chumukedima, Dimapur
Nagaland 797103, India
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