[Wannier] Fw: SIGSEGV, segmentation fault occurred
Abdul Jalil
abdul at mail.ustc.edu.cn
Tue Apr 17 08:15:07 CEST 2018
Dear Users
I have installed wannier90 successfully and even test number of examples but,while running a test job of Bi2Se3 I got this error,
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image PC Routine Line Source
wannier90.x 00000000005A102D Unknown Unknown Unknown
wannier90.x 000000000059EEC7 Unknown Unknown Unknown
wannier90.x 0000000000549A04 Unknown Unknown Unknown
wannier90.x 0000000000549816 Unknown Unknown Unknown
wannier90.x 00000000004F8A86 Unknown Unknown Unknown
wannier90.x 00000000004FC460 Unknown Unknown Unknown
Unknown 000000365200F710 Unknown Unknown Unknown
wannier90.x 000000000048DF9F Unknown Unknown Unknown
wannier90.x 0000000000479BB9 Unknown Unknown Unknown
wannier90.x 0000000000405032 Unknown Unknown Unknown
wannier90.x 000000000040461E Unknown Unknown Unknown
libc.so.6 000000365181ED1D Unknown Unknown Unknown
wannier90.x 0000000000404529 Unknown Unknown Unknown
wannier90.win:
num_wann = 48 ! set to NBANDS by VASP
use_bloch_phases = T
spinors = .true.
begin unit_cell_cart
-2.1002234 -3.6376634 -0.0001991
2.0999262 -3.6374915 -0.0005593
-0.0005015 2.4259721 10.1793649
end unit_cell_cart
begin atoms_cart
Bi 0.0002293 -1.2123312 7.0376325
Bi -0.0010280 -3.6368516 3.1409740
Se -0.0002508 1.2129861 5.0896825
Se -0.0009471 -1.2117297 1.5644438
Se 0.0001484 -3.6374531 8.6141627
end atoms_cart
mp_grid = 8 13 7
begin kpoints
0.000000000000 0.000000000000 0.000000000000
0.125000000000 0.000000000000 0.000000000000
0.250000000000 0.000000000000 0.000000000000
wannier90.wout:
Writing checkpoint file wannier90.chk... done
*------------------------------- WANNIERISE ---------------------------------*
+--------------------------------------------------------------------+<-- CONV
| Iter Delta Spread RMS Gradient Spread (Ang^2) Time |<-- CONV
+--------------------------------------------------------------------+<-- CONV
------------------------------------------------------------------------------
Initial State
WF centre and spread 1 ( -0.187542, 0.278499, 0.605866 ) 687.68502631
WF centre and spread 2 ( -0.295118, 0.076419, 0.269314 ) 696.32138403
WF centre and spread 3 ( -0.045956, -0.053352, -0.791664 ) 638.69542274
WF centre and spread 4 ( 0.150571, -0.050258, -0.353115 ) 655.87937395
WF centre and spread 5 ( -0.686400, 0.076482, 0.237375 ) 668.46264772
WF centre and spread 6 ( 0.367185, -0.085449, -0.606016 ) 640.87418271
WF centre and spread 7 ( -0.308237, 0.264552, -1.098327 ) 667.01829226
WF centre and spread 8 ( 0.078598, 0.181008, 0.440394 ) 670.59921849
WF centre and spread 9 ( -0.457116, -0.102488, -0.537951 ) 678.07849134
WF centre and spread 10 ( -0.483616, -0.047477, 0.949828 ) 646.93829802
WF centre and spread 11 ( 0.216394, 0.376961, -0.066263 ) 670.19956889
WF centre and spread 12 ( -0.221741, -0.017484, -1.271824 ) 672.55839936
WF centre and spread 13 ( -0.157226, 0.006235, -0.565450 ) 685.01033225
WF centre and spread 14 ( -0.268588, 0.263349, -0.452362 ) 683.14853197
WF centre and spread 15 ( 0.411672, 0.004245, 0.922251 ) 712.43094725
WF centre and spread 16 ( -0.282923, -0.118590, -0.507425 ) 704.26030387
WF centre and spread 17 ( 0.249417, -0.229544, 0.338098 ) 726.29525988
WF centre and spread 18 ( -0.058393, -0.000693, 0.767123 ) 709.68229664
WF centre and spread 19 ( 0.448226, 0.096048, 1.275676 ) 720.23239384
WF centre and spread 20 ( 0.168533, 0.164027, 0.087882 ) 703.36941030
WF centre and spread 21 ( -0.120667, -0.161619, -0.391466 ) 741.19333451
WF centre and spread 22 ( 0.041825, -0.092459, -0.117409 ) 750.60900218
WF centre and spread 23 ( -0.199690, 0.373155, -0.682686 ) 718.02542933
WF centre and spread 24 ( 0.562675, -0.209634, -0.548157 ) 729.95078174
WF centre and spread 25 ( -0.466215, 0.364964, -0.040725 ) 719.85185691
WF centre and spread 26 ( -0.294717, 0.131151, -0.697407 ) 728.46624622
WF centre and spread 27 ( 0.246171, 0.447865, -0.233908 ) 675.41359524
WF centre and spread 28 ( 0.375100, -0.323370, 0.025751 ) 708.06303857
WF centre and spread 29 ( 0.202330, 0.029633, -0.000003 ) 697.28672484
WF centre and spread 30 ( 0.388104, 0.226085, -0.144321 ) 710.61392093
WF centre and spread 31 ( -0.599149, 0.165638, -1.400122 ) 674.19116751
WF centre and spread 32 ( 0.414442, -0.635187, -1.088296 ) 689.71497821
WF centre and spread 33 ( 0.776354, -0.047373, 0.297470 ) 680.30472582
WF centre and spread 34 ( 0.107746, -0.003216, 0.777799 ) 701.96650039
WF centre and spread 35 ( 0.364592, 0.325507, -0.675660 ) 710.60011043
WF centre and spread 36 ( -0.820877, 0.190664, -0.422970 ) 717.54902296
WF centre and spread 37 ( -0.057045, 0.074442, 0.412585 ) 738.60899231
WF centre and spread 38 ( -0.652430, 0.321147, -0.345758 ) 698.12669327
WF centre and spread 39 ( -0.111991, -0.114777, -0.329313 ) 700.05284784
WF centre and spread 40 ( -0.146098, -0.298249, 0.177401 ) 709.01879508
WF centre and spread 41 ( -0.701144, 0.133035, -0.079978 ) 721.75395516
WF centre and spread 42 ( -0.040283, 0.141561, 0.315304 ) 720.01075194
WF centre and spread 43 ( -0.187642, 0.212161, 0.619661 ) 789.46241390
WF centre and spread 44 ( 0.487253, -0.334828, 0.056627 ) 802.10220533
WF centre and spread 45 ( 0.602327, -0.156574, -0.171911 ) 799.35759905
WF centre and spread 46 ( 0.228002, 0.000077, -1.079514 ) 822.61783628
WF centre and spread 47 ( 0.050234, 0.004747, -0.291649 ) 827.11932301
WF centre and spread 48 ( 0.369983, -0.432107, -0.209483 ) 825.08605295
Sum of centres and spreads ( -0.543068, 1.414931, -6.624728 ) 34144.85768375
0 0.341E+05 0.0000000000 34144.8576837476 11.55 <-- CONV
O_D= 31009.8136612 O_OD= 2504.7212769 O_TOT= 34144.8576837 <-- SPRD
--
Best Regards
Abdul Jalil
PhD Student
Department of Material Science & Engineering
University of Science and Technology
--
Best Regards
Abdul Jalil
PhD Student
Department of Material Science & Engineering
University of Science and Technology
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