Hi all. I am doing transiesta calculation. My sistem is a little big. My
eletrode and scattering regions consist of 114 and 342 atoms respectively.
I dont have any problem in the electrode calculation and when i start the
scattering calculation it is completing usual siesta electronic calculation
without any problem. However when it starts the transiesta calculation the
program stops with the below error.
----- DISTRIBUTION OF ENERGY POINTS AMONG PROCESSORS -----
Node Point Part Read-ins ZEnergy Weight
0 1 N 43 0.00000 0.00199 0.00000 -0.00398
1 1 N 43 0.00000 0.00597 0.00000 -0.00398
2 1 N 43 0.00000 0.00995 0.00000 -0.00398
3 1 N 43 0.01404 0.01194 0.00000 0.00000
4 1 N 43 0.00906 0.01194 0.00000 0.00000
5 1 N 43 0.00549 0.01194 0.00000 0.00000
6 1 N 43 0.00277 0.01194 0.00003 0.00000
7 1 N 43 0.00073 0.01194 0.00043 0.00000
8 1 N 43 -0.00095 0.01194 0.00136 0.00000
9 1 N 43 -0.00263 0.01194 0.00165 0.00000
10 1 N 43 -0.00421 0.01194 0.00143 0.00000
11 1 N 43 -0.00543 0.01194 0.00099 0.00000
12 1 N 43 -0.00616 0.01194 0.00045 0.00000
13 1 N 43 -0.00640 0.01728 0.00022 -0.01371
14 1 N 43 -0.00700 0.04003 0.00116 -0.03176
15 1 N 43 -0.00923 0.08066 0.00363 -0.04940
16 1 N 43 -0.01504 0.13857 0.00842 -0.06624
17 1 N 43 -0.02704 0.21269 0.01611 -0.08172
18 1 N 43 -0.04837 0.30133 0.02712 -0.09515
19 1 N 43 -0.08241 0.40202 0.04152 -0.10567
20 1 N 43 -0.13245 0.51139 0.05904 -0.11236
21 1 N 43 -0.20132 0.62515 0.07903 -0.11431
22 1 N 43 -0.29098 0.73819 0.10042 -0.11081
23 1 N 43 -0.40216 0.84481 0.12183 -0.10144
24 1 N 43 -0.53411 0.93911 0.14167 -0.08621
25 1 N 43 -0.68443 1.01546 0.15831 -0.06566
26 1 N 43 -0.84917 1.06901 0.17029 -0.04085
27 1 N 43 -1.02308 1.09623 0.17650 -0.01329
28 1 N 43 -1.20003 1.09527 0.17634 0.01520
29 1 N 43 -1.37363 1.06616 0.16983 0.04270
30 1 N 43 -1.53778 1.01082 0.15759 0.06738
31 1 N 43 -1.68726 0.93285 0.14072 0.08774
32 1 N 43 -1.81818 0.83712 0.12072 0.10276
33 1 N 43 -1.92820 0.72930 0.09921 0.11190
34 1 N 43 -2.01662 0.61529 0.07778 0.11516
35 1 N 43 -2.08425 0.50079 0.05782 0.11299
36 1 N 43 -2.13310 0.39088 0.04037 0.10611
37 1 N 43 -2.16605 0.28983 0.02608 0.09544
38 1 N 43 -2.18642 0.20096 0.01523 0.08189
39 1 N 43 -2.19761 0.12672 0.00770 0.06632
40 1 N 43 -2.20279 0.06875 0.00310 0.04944
41 1 N 43 -2.20458 0.02810 0.00081 0.03177
42 1 N 43 -2.20493 0.00535 0.00007 0.01371
43 1 N 43 -2.20493 0.00535 0.00000 0.00000
44 1 N 43 -2.20493 0.00535 0.00000 0.00000
45 1 N 43 -2.20493 0.00535 0.00000 0.00000
46 1 N 43 -2.20493 0.00535 0.00000 0.00000
47 1 N 43 -2.20493 0.00535 0.00000 0.00000
48 1 N 43 -2.20493 0.00535 0.00000 0.00000
49 1 N 43 -2.20493 0.00535 0.00000 0.00000
50 1 N 43 -2.20493 0.00535 0.00000 0.00000
51 1 N 43 -2.20493 0.00535 0.00000 0.00000
52 1 N 43 -2.20493 0.00535 0.00000 0.00000
53 1 N 43 -2.20493 0.00535 0.00000 0.00000
54 1 N 43 -2.20493 0.00535 0.00000 0.00000
55 1 N 43 -2.20493 0.00535 0.00000 0.00000
56 1 N 43 -2.20493 0.00535 0.00000 0.00000
57 1 N 43 -2.20493 0.00535 0.00000 0.00000
58 1 N 43 -2.20493 0.00535 0.00000 0.00000
59 1 N 43 -2.20493 0.00535 0.00000 0.00000
60 1 N 43 -2.20493 0.00535 0.00000 0.00000
61 1 N 43 -2.20493 0.00535 0.00000 0.00000
62 1 N 43 -2.20493 0.00535 0.00000 0.00000
63 1 N 43 -2.20493 0.00535 0.00000 0.00000
Total no. points: 64
Total no. points to read: 43 43
----------------------------------------------------------
Begin LEFT
unit cell:
26.4562 0.0000 0.0000
0.0000 25.6340 0.0000
0.0000 0.0000 44.3994
APPLICATION TERMINATED WITH THE EXIT STRING: Hangup (signal 1)
My system has 64 CPU and 72 GB ram.
Could anyone help me to solve this problem?
Best regards
--
*Fadıl İYİKANATIzmir Institute of TechnologyGulbahce CampusFaculty of
Science Department of Physics35430 Urla Izmir TurkeyPhone: +90 232 750
7691Fax : +90 (232) 750 7707*
