It has nothing to do with the vacuum, the grid is irrespective of this error. It is the self-energy calculation (I presume).
If it is a MOAB job you can get memory statistics. Otherwise monitor the job for memory consumption. 2015-07-29 17:55 GMT+00:00 Fadil Iyikanat <[email protected]>: > My system is 2 dimensional monolayer and i used 20 ang vacuum space. And > my system requires a little big electrodes. > > Firstly i was thinking program stops due to the lack of memory. Then i > decreased the vacuum space to 14 ang and i closed spinpoarization. However > i get exactly the same error. How can i be sure whether the program stops > due to the lack of memory or not. Moreover, why i get completely different > unitcell before the program stop. > > Thanks and regards > > > On Tue, Jul 28, 2015 at 1:14 AM, Nick Papior <[email protected]> wrote: > >> I would assume your electrode is too big to do self energy calculations >> with. >> >> And I still think you have setup the electrode erroneously, an electrode >> of depth >20 Å seems like you are doing something very wrong, that would >> correspond to something like an abcdef stacking, at least. >> >> -- >> >> Kind regards Nick Papior >> On 27 Jul 2015 23:00, "Fadil Iyikanat" <[email protected]> wrote: >> >>> Im sure from my electrodes. They are just big electrodes. >>> But I dont know where the unitcell comes from which appeared before the >>> last line of output. >>> >>> Because my unitcell of electrode is >>> >>> %block LatticeVectors >>> 20.000000000 0.00000000 0.00000000 >>> 0.000000000 13.56491135 0.00000000 >>> 0.000000000 0.00000000 23.49511565 >>> %endblock LatticeVectors >>> >>> and my unitcell of scatter part is >>> >>> %block LatticeVectors >>> 20.000000000 0.00000000 0.00000000 >>> 0.000000000 13.56491135 0.00000000 >>> 0.000000000 0.00000000 70.48534695 >>> %endblock LatticeVectors >>> >>> These are not same as the last lines of output ?? >>> >>> >>> On Mon, Jul 27, 2015 at 11:27 PM, Nick Papior <[email protected]> >>> wrote: >>> >>>> 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 >>>> >>> >>> >>> >>> -- >>> >>> >>> >>> >>> >>> >>> *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>* >>> >> > > > -- > > > > > > > *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
