That seems like an extremely large electrode, I would guess you setup the calculation incorrectly.
2015-07-27 20:11 GMT+00:00 Fadil Iyikanat <[email protected]>: > 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 7691 > <%2B90%20232%20750%207691>Fax : +90 (232) 750 7707 > <%2B90%20%28232%29%20750%207707>* > -- Kind regards Nick
