Dear transiesta users,
Following output appears in the transiesta calculation in the parallel mode.
Siesta-3.2 is used.
************************
* TRANSIESTA BEGIN *
************************
contour: Residuals:
contour: 0.00000 0.00000 0.000000000 0.000000000 1
contour: 0.00000 0.00000 0.000000000 0.000000000 2
contour: 0.00000 0.00000 0.000000000 0.000000000 3
contour: 0.00000 0.00000 0.000000000 0.000000000 4
contour: 0.00000 0.00000 0.000000000 0.000000000 5
contour: 0.00000 0.00000 0.000000000 0.000000000 6
contour: Fermi Line:
contour: 0.00000 0.00000 -0.000000000 -0.000000000 1
contour: 0.00000 0.00000 -0.000000000 -0.000000000 2
contour: 0.00000 0.00000 -0.000000000 -0.000000000 3
contour: 0.00000 0.00000 -0.000000000 -0.000000000 4
contour: 0.00000 0.00000 -0.000000000 -0.000000000 5
contour: 0.00000 0.00000 -0.000000000 -0.000000000 6
contour: Circle:
contour: -0.00003 0.00695 NaN NaN 1
contour: -0.00072 0.03646 NaN NaN 2
contour: -0.00432 0.08894 NaN NaN 3
contour: -0.01458 0.16305 NaN NaN 4
contour: -0.03648 0.25631 NaN NaN 5
contour: -0.07549 0.36471 NaN NaN 6
contour: -0.13682 0.48238 NaN NaN 7
contour: -0.22443 0.60167 NaN NaN 8
contour: -0.34004 0.71357 NaN NaN 9
contour: -0.48241 0.80851 NaN NaN 10
contour: -0.64704 0.87763 NaN NaN 11
contour: -0.82644 0.91408 NaN NaN 12
contour: -1.01101 0.91408 NaN NaN 13
contour: -1.19041 0.87763 NaN NaN 14
contour: -1.35504 0.80851 NaN NaN 15
contour: -1.49741 0.71357 NaN NaN 16
contour: -1.61302 0.60167 NaN NaN 17
contour: -1.70063 0.48238 NaN NaN 18
contour: -1.76196 0.36471 NaN NaN 19
contour: -1.80097 0.25631 NaN NaN 20
contour: -1.82287 0.16305 NaN NaN 21
contour: -1.83313 0.08894 NaN NaN 22
contour: -1.83673 0.03646 NaN NaN 23
contour: -1.83742 0.00695 NaN NaN 24
36 energy points
36 36
----- DISTRIBUTION OF ENERGY POINTS AMONG PROCESSORS -----
Node Point Part Read-ins ZEnergy Weight
0 1 N 4 0.00000 0.00000 -0.00000 -0.00000
1 1 N 4 0.00000 0.00000 -0.00000 -0.00000
2 1 N 4 0.00000 0.00000 -0.00000 -0.00000
3 1 N 4 0.00000 0.00000 -0.00000 -0.00000
0 2 N 4 0.00000 0.00000 -0.00000 -0.00000
1 2 N 4 0.00000 0.00000 -0.00000 -0.00000
2 2 N 4 0.00000 0.00000 0.00000 0.00000
3 2 N 4 0.00000 0.00000 0.00000 0.00000
0 3 N 4 0.00000 0.00000 0.00000 0.00000
1 3 N 4 0.00000 0.00000 0.00000 0.00000
2 3 N 4 0.00000 0.00000 0.00000 0.00000
3 3 N 4 0.00000 0.00000 0.00000 0.00000
0 4 N 4 -0.00003 0.00695 NaN NaN
1 4 N 4 -0.00072 0.03646 NaN NaN
2 4 N 4 -0.00432 0.08894 NaN NaN
3 4 N 4 -0.01458 0.16305 NaN NaN
0 5 N 4 -0.03648 0.25631 NaN NaN
1 5 N 4 -0.07549 0.36471 NaN NaN
2 5 N 4 -0.13682 0.48238 NaN NaN
3 5 N 4 -0.22443 0.60167 NaN NaN
0 6 N 4 -0.34004 0.71357 NaN NaN
1 6 N 4 -0.48241 0.80851 NaN NaN
2 6 N 4 -0.64704 0.87763 NaN NaN
3 6 N 4 -0.82644 0.91408 NaN NaN
0 7 N 4 -1.01101 0.91408 NaN NaN
1 7 N 4 -1.19041 0.87763 NaN NaN
2 7 N 4 -1.35504 0.80851 NaN NaN
3 7 N 4 -1.49741 0.71357 NaN NaN
0 8 N 4 -1.61302 0.60167 NaN NaN
1 8 N 4 -1.70063 0.48238 NaN NaN
2 8 N 4 -1.76196 0.36471 NaN NaN
3 8 N 4 -1.80097 0.25631 NaN NaN
0 9 N 4 -1.82287 0.16305 NaN NaN
1 9 N 4 -1.83313 0.08894 NaN NaN
2 9 N 4 -1.83673 0.03646 NaN NaN
3 9 N 4 -1.83742 0.00695 NaN NaN
Total no. points: 36
Total no. points to read: 36 36
----------------------------------------------------------
Begin LEFT
unit cell:
37.7945 0.0000 0.0000
0.0000 30.2290 0.0000
0.0000 0.0000 20.9983
Size: 291600
Left.GF already exist, will be overwritten!
Efermi: 0.0000000000000000
GF: Spin number -> 1
Got LEFT Electrode GF
Done
Begin RIGHT
unit cell:
37.7945 0.0000 0.0000
0.0000 30.2290 0.0000
0.0000 0.0000 20.9983
Size: 291600
Right.GF already exist, will be overwritten!
Efermi: -0.0000000000000000
GF: Spin number -> 1
Got RIGHT Electrode GF
Done
L-ELEC: lastoL: 0 9 18 27
36 45 54 63 72 81
90 99 108 117 126 135
144 153 162 171 180 189
198 207 216 225 234 243
252 261 270 279 288 297
306 315 324 333 342
351 360 369 378 387 396
405 414 423 432 441 450
459 468 477 486 495 504
513 522 531 540
R-ELEC: lastoR: 0 9 18 27
36 45 54 63 72 81
90 99 108 117 126 135
144 153 162 171 180 189
198 207 216 225 234 243
252 261 270 279 288 297
306 315 324 333 342
351 360 369 378 387 396
405 414 423 432 441 450
459 468 477 486 495 504
513 522 531 540
TRANSIESTA: Initializing lists
>From SIESTA: Efermi= -3.889
qc0 : 0.000
qcn0 : 725.892
nou,NGL,NGR: 1890 540 540
TranSiesta: Qsol,Qtot: NaN 1260.000 1.000
and I have faced to the following error in the terminal.
mpirun noticed that process rank 0 with PID 5436 on node
salami-desktop exited on signal 11 (Segmentation fault).
--------------------------------------------------------------------------
real 59m41.908s
user 219m22.759s
sys 0m27.482s
I don' know what's the matter, and any comments and advice will be
appreciated.
Best,
Nadia Salami
