forked from lijiext/lammps
292 lines
21 KiB
Groff
292 lines
21 KiB
Groff
LAMMPS (24 Dec 2020)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:97)
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using 1 OpenMP thread(s) per MPI task
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# Shear power-law distributed granular particles
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units lj
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atom_style sphere
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dimension 2
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read_data data.powerlaw
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Reading data file ...
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triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000)
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1 by 1 by 1 MPI processor grid
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reading atoms ...
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10000 atoms
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reading velocities ...
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10000 velocities
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read_data CPU = 0.027 seconds
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change_box all triclinic
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Changing box ...
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triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000)
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# multi neighbor and comm for efficiency
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neighbor 1 multi
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neigh_modify delay 0 collection/interval 6 1.5 3 10 30 100 200
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comm_modify mode multi vel yes reduce/multi
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# granular potential
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pair_style granular
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pair_coeff * * hooke 20.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity
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# fixes
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fix 1 all nve/sphere
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fix 2 all enforce2d
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fix 3 all deform 1 xy erate 1e-4
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# dump 1 all custom 20000 dump.granular id x y z radius
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thermo_style custom step temp epair etotal press vol pxy
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thermo 1000
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timestep 0.005
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run 200000
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Neighbor list info ...
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update every 1 steps, delay 0 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 164.7888
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ghost atom cutoff = 164.7888
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binsize = 82.3944, bins = 4 4 1
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair granular, perpetual
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attributes: half, newton on, size, history
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pair build: half/size/multi/newton/tri
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stencil: half/multi/2d/tri
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bin: multi
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Per MPI rank memory allocation (min/avg/max) = 14.77 | 14.77 | 14.77 Mbytes
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Step Temp E_pair TotEng Press Volume Pxy
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0 4.9204851e-05 0 4.9199931e-05 0.61204991 103595.49 -0.00083309917
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1000 0.00038076464 0 0.00038072657 0.58694623 103595.49 -0.0066712806
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2000 0.00027986478 0 0.00027983679 0.5845274 103595.49 -0.008880933
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3000 0.00022105227 0 0.00022103017 0.58295464 103595.49 -0.011327442
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4000 0.00020888366 0 0.00020886277 0.5826542 103595.49 -0.014147424
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5000 0.00019912663 0 0.00019910672 0.58175837 103595.49 -0.015685634
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6000 0.0001989441 0 0.00019892421 0.58170841 103595.49 -0.017379973
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7000 0.00019307783 0 0.00019305852 0.58133913 103595.49 -0.019556709
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8000 0.00018132444 0 0.00018130631 0.58134077 103595.49 -0.021609399
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9000 0.00017909088 0 0.00017907297 0.58117179 103595.49 -0.023603514
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10000 0.00018391928 0 0.00018390089 0.58070675 103595.49 -0.026026784
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11000 0.00018985439 0 0.00018983541 0.58006086 103595.49 -0.028574238
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12000 0.00018903569 0 0.00018901678 0.5794232 103595.49 -0.031151884
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13000 0.00019070382 0 0.00019068475 0.57890243 103595.49 -0.033469404
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14000 0.00019371625 0 0.00019369688 0.5787389 103595.49 -0.035646526
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15000 0.00019833475 0 0.00019831492 0.57883166 103595.49 -0.037709788
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16000 0.0002011729 0 0.00020115278 0.57875606 103595.49 -0.039452453
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17000 0.00020285197 0 0.00020283169 0.5786311 103595.49 -0.040960671
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18000 0.00020319174 0 0.00020317142 0.57842387 103595.49 -0.042257072
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19000 0.00020290253 0 0.00020288224 0.57795042 103595.49 -0.043364149
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20000 0.00020509848 0 0.00020507797 0.5771478 103595.49 -0.044392259
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21000 0.00021803258 0 0.00021801078 0.57569003 103595.49 -0.044749043
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22000 0.00020751217 0 0.00020749141 0.57477071 103595.49 -0.045719593
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23000 0.00022053275 0 0.0002205107 0.57409228 103595.49 -0.047332146
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24000 0.00022689646 0 0.00022687377 0.57325004 103595.49 -0.04871759
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25000 0.00025224804 0 0.00025222282 0.57283712 103595.49 -0.050254871
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26000 0.00025343198 0 0.00025340664 0.57238659 103595.49 -0.051604284
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27000 0.00026689801 0 0.00026687132 0.57221042 103595.49 -0.052915257
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28000 0.00027867954 0 0.00027865167 0.57197974 103595.49 -0.053832129
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29000 0.00028697929 0 0.00028695059 0.57177264 103595.49 -0.054693121
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30000 0.00028857612 0 0.00028854727 0.57145453 103595.49 -0.055559611
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31000 0.00029228405 0 0.00029225482 0.5711044 103595.49 -0.056492699
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32000 0.00029648627 0 0.00029645663 0.57060211 103595.49 -0.05729896
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33000 0.00030524162 0 0.00030521109 0.57002519 103595.49 -0.058201322
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34000 0.00031725644 0 0.00031722472 0.56920654 103595.49 -0.059128438
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35000 0.00032273791 0 0.00032270564 0.56844677 103595.49 -0.060009671
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36000 0.00033013013 0 0.00033009712 0.56795943 103595.49 -0.061074282
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37000 0.00033942153 0 0.00033938759 0.56749208 103595.49 -0.062058531
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38000 0.00035141528 0 0.00035138014 0.56682741 103595.49 -0.062953956
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39000 0.00036126777 0 0.00036123164 0.56655193 103595.49 -0.063757684
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40000 0.00037765934 0 0.00037762157 0.5661991 103595.49 -0.064535541
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41000 0.00040834365 0 0.00040830281 0.56554085 103595.49 -0.064688281
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42000 0.00042857233 0 0.00042852948 0.56474014 103595.49 -0.065262664
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43000 0.00042692021 0 0.00042687752 0.56362013 103595.49 -0.065276794
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44000 0.00040298912 0 0.00040294882 0.5631005 103595.49 -0.065626396
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45000 0.00040947381 0 0.00040943286 0.56291946 103595.49 -0.066167734
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46000 0.00040202686 0 0.00040198666 0.56273846 103595.49 -0.066543782
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47000 0.00038914356 0 0.00038910465 0.56265937 103595.49 -0.067359923
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48000 0.00038429737 0 0.00038425894 0.56274908 103595.49 -0.068231096
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49000 0.00036912968 0 0.00036909277 0.56261623 103595.49 -0.068791569
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50000 0.00035203094 0 0.00035199574 0.56257856 103595.49 -0.069298217
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51000 0.00034403223 0 0.00034399783 0.56236537 103595.49 -0.070273225
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52000 0.00034132431 0 0.00034129018 0.56220555 103595.49 -0.071740344
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53000 0.000335692 0 0.00033565843 0.56194913 103595.49 -0.072834415
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54000 0.00033048196 0 0.00033044891 0.56231491 103595.49 -0.073996938
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55000 0.00032751145 0 0.00032747869 0.56225025 103595.49 -0.07506664
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56000 0.00032696951 0 0.00032693682 0.56285506 103595.49 -0.076445354
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57000 0.00033158698 0 0.00033155382 0.56354729 103595.49 -0.077682996
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58000 0.00034300009 0 0.00034296579 0.56416964 103595.49 -0.078836604
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59000 0.00034340257 0 0.00034336823 0.56490867 103595.49 -0.079658197
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60000 0.00034736137 0 0.00034732663 0.56519398 103595.49 -0.080570223
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61000 0.00034984523 0 0.00034981025 0.5651693 103595.49 -0.081115325
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62000 0.00034995431 0 0.00034991932 0.56534549 103595.49 -0.081486038
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63000 0.00033854269 0 0.00033850883 0.56582558 103595.49 -0.081892374
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64000 0.00032621515 0 0.00032618253 0.5658388 103595.49 -0.082786608
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65000 0.00031773942 0 0.00031770764 0.56576287 103595.49 -0.083706189
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66000 0.00031772736 0 0.00031769558 0.56548117 103595.49 -0.084236463
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67000 0.0003148631 0 0.00031483161 0.56483795 103595.49 -0.084506082
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68000 0.00030359752 0 0.00030356716 0.56446443 103595.49 -0.084985509
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69000 0.00030395128 0 0.00030392088 0.56437593 103595.49 -0.085548157
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70000 0.00032811658 0 0.00032808376 0.56372411 103595.49 -0.085304154
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71000 0.00035494531 0 0.00035490981 0.56326137 103595.49 -0.085047806
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72000 0.0003253841 0 0.00032535156 0.56244462 103595.49 -0.085693663
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73000 0.00032328895 0 0.00032325662 0.5629287 103595.49 -0.086119464
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74000 0.00032650113 0 0.00032646848 0.56306166 103595.49 -0.087182721
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75000 0.00034303222 0 0.00034299792 0.56219559 103595.49 -0.086604025
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76000 0.00033786129 0 0.0003378275 0.56188071 103595.49 -0.086852177
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77000 0.00033559735 0 0.00033556379 0.5619155 103595.49 -0.08689764
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78000 0.00032579863 0 0.00032576605 0.56177059 103595.49 -0.087109469
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79000 0.00031610815 0 0.00031607654 0.56160391 103595.49 -0.087250861
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80000 0.00031246546 0 0.00031243422 0.56181676 103595.49 -0.087117648
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81000 0.00029392131 0 0.00029389192 0.56205441 103595.49 -0.087601617
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82000 0.00029624453 0 0.00029621491 0.56285229 103595.49 -0.08824145
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83000 0.00030538821 0 0.00030535767 0.5627754 103595.49 -0.088318188
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84000 0.00029587833 0 0.00029584874 0.56267246 103595.49 -0.08930338
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85000 0.00030551128 0 0.00030548073 0.56251282 103595.49 -0.0897211
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86000 0.00030000969 0 0.00029997969 0.56249642 103595.49 -0.089920789
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87000 0.00030211667 0 0.00030208646 0.56256648 103595.49 -0.090315024
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88000 0.00030524995 0 0.00030521943 0.5623007 103595.49 -0.090706456
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89000 0.00031961257 0 0.00031958061 0.56210244 103595.49 -0.090852204
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90000 0.0003195337 0 0.00031950175 0.56207472 103595.49 -0.090879606
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91000 0.00033860446 0 0.0003385706 0.56197196 103595.49 -0.090891252
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92000 0.0003327551 0 0.00033272183 0.56172473 103595.49 -0.090725694
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93000 0.00032983619 0 0.00032980321 0.5619443 103595.49 -0.090626404
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94000 0.00034024354 0 0.00034020952 0.56150371 103595.49 -0.090769983
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95000 0.00033201405 0 0.00033198084 0.56145998 103595.49 -0.09102312
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96000 0.00032851608 0 0.00032848323 0.56201045 103595.49 -0.09152522
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97000 0.0003353172 0 0.00033528367 0.56256203 103595.49 -0.092443634
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98000 0.00033453146 0 0.00033449801 0.5632537 103595.49 -0.093069693
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99000 0.00034432742 0 0.00034429299 0.56355465 103595.49 -0.093332298
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100000 0.00035299312 0 0.00035295782 0.56420115 103595.49 -0.093871701
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101000 0.00042149444 0 0.00042145229 0.56424332 103595.49 -0.094001873
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102000 0.0004580706 0 0.0004580248 0.56378535 103595.49 -0.093786943
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103000 0.00046113464 0 0.00046108853 0.56428549 103595.49 -0.093463429
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104000 0.00047583409 0 0.00047578651 0.5645355 103595.49 -0.093225615
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105000 0.00048367276 0 0.00048362439 0.56469488 103595.49 -0.092935582
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106000 0.00046931008 0 0.00046926315 0.56464923 103595.49 -0.09282958
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107000 0.00046460766 0 0.00046456119 0.56502528 103595.49 -0.093077749
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108000 0.00046398187 0 0.00046393547 0.56532911 103595.49 -0.09321949
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109000 0.00047530523 0 0.0004752577 0.56561281 103595.49 -0.093217991
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110000 0.00048531886 0 0.00048527033 0.56549262 103595.49 -0.092956034
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111000 0.00049659003 0 0.00049654038 0.56507505 103595.49 -0.092554122
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112000 0.00050113619 0 0.00050108607 0.56528891 103595.49 -0.092227508
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113000 0.0005138896 0 0.00051383821 0.56550655 103595.49 -0.092096556
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114000 0.00052560295 0 0.00052555039 0.56567551 103595.49 -0.09181586
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115000 0.00054349317 0 0.00054343882 0.56530917 103595.49 -0.090961623
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116000 0.00056022902 0 0.00056017299 0.56482302 103595.49 -0.090810658
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117000 0.00055876064 0 0.00055870476 0.56488791 103595.49 -0.090329656
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118000 0.00056191427 0 0.00056185808 0.56461166 103595.49 -0.090161067
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119000 0.0005488829 0 0.00054882801 0.56437975 103595.49 -0.090328459
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120000 0.00054084712 0 0.00054079303 0.564481 103595.49 -0.090602791
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121000 0.00053717105 0 0.00053711733 0.56481743 103595.49 -0.090309102
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122000 0.00053834163 0 0.00053828779 0.56385259 103595.49 -0.090433254
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123000 0.00053319394 0 0.00053314062 0.56335613 103595.49 -0.090723928
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124000 0.00053127439 0 0.00053122127 0.5631684 103595.49 -0.091178253
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125000 0.00053624623 0 0.00053619261 0.56387166 103595.49 -0.091701174
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126000 0.0005253773 0 0.00052532476 0.5639006 103595.49 -0.092033098
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127000 0.00052459276 0 0.0005245403 0.56361298 103595.49 -0.092219098
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128000 0.00054030806 0 0.00054025403 0.56307203 103595.49 -0.092196938
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129000 0.00055474894 0 0.00055469346 0.5622815 103595.49 -0.09178309
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130000 0.00057391115 0 0.00057385376 0.56244981 103595.49 -0.09170211
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131000 0.00058650769 0 0.00058644904 0.56195859 103595.49 -0.090649841
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132000 0.00058529163 0 0.0005852331 0.56162943 103595.49 -0.090167101
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133000 0.00062544817 0 0.00062538563 0.5594761 103595.49 -0.088989624
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134000 0.00063457749 0 0.00063451403 0.55917757 103595.49 -0.089702278
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135000 0.00065371789 0 0.00065365252 0.55885043 103595.49 -0.090030252
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136000 0.00070050714 0 0.00070043709 0.55854751 103595.49 -0.08960124
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137000 0.0006750775 0 0.00067501 0.55809563 103595.49 -0.090252473
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138000 0.00068827043 0 0.0006882016 0.55806674 103595.49 -0.090238994
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139000 0.00069748073 0 0.00069741098 0.55734587 103595.49 -0.090118549
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140000 0.00071065284 0 0.00071058177 0.55711669 103595.49 -0.090336074
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141000 0.00070994204 0 0.00070987104 0.55638115 103595.49 -0.089917062
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142000 0.00071514386 0 0.00071507235 0.55614391 103595.49 -0.090392071
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143000 0.00071334667 0 0.00071327533 0.55640687 103595.49 -0.091256718
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144000 0.00069553102 0 0.00069546147 0.55705702 103595.49 -0.091761396
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145000 0.00068849503 0 0.00068842618 0.55692035 103595.49 -0.091895738
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146000 0.00068407816 0 0.00068400975 0.55660026 103595.49 -0.092191588
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147000 0.00069521557 0 0.00069514605 0.55556456 103595.49 -0.092354739
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148000 0.00068349281 0 0.00068342446 0.55537498 103595.49 -0.092914636
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149000 0.00067959644 0 0.00067952848 0.55537695 103595.49 -0.093738463
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150000 0.00067100566 0 0.00067093856 0.55544851 103595.49 -0.094104003
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151000 0.00068044722 0 0.00068037917 0.5554655 103595.49 -0.094943239
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152000 0.00068109012 0 0.00068102201 0.55585405 103595.49 -0.095355111
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153000 0.00068666181 0 0.00068659314 0.55501583 103595.49 -0.095234652
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154000 0.00068283406 0 0.00068276578 0.55644996 103595.49 -0.095902623
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155000 0.00069836346 0 0.00069829363 0.55747472 103595.49 -0.096978444
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156000 0.00072807264 0 0.00072799984 0.55807332 103595.49 -0.097415305
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157000 0.00077300609 0 0.00077292879 0.55871196 103595.49 -0.098034508
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158000 0.00081631408 0 0.00081623245 0.558479 103595.49 -0.09825722
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159000 0.00079291984 0 0.00079284054 0.55784788 103595.49 -0.097758094
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160000 0.0008203256 0 0.00082024357 0.55700259 103595.49 -0.097519328
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161000 0.00081471235 0 0.00081463087 0.556622 103595.49 -0.097787992
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162000 0.00080692462 0 0.00080684393 0.5566795 103595.49 -0.097210216
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163000 0.00081149678 0 0.00081141564 0.55596697 103595.49 -0.097517476
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164000 0.00081577795 0 0.00081569637 0.55569684 103595.49 -0.096908869
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165000 0.00084604988 0 0.00084596528 0.55492052 103595.49 -0.095481627
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166000 0.00082198923 0 0.00082190703 0.5552628 103595.49 -0.09477531
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167000 0.00084903108 0 0.00084894618 0.55477991 103595.49 -0.094758799
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168000 0.00081613582 0 0.00081605421 0.55508416 103595.49 -0.094804088
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169000 0.00083341061 0 0.00083332727 0.55476794 103595.49 -0.094519882
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170000 0.00077835092 0 0.00077827308 0.55516626 103595.49 -0.094843673
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171000 0.00074843733 0 0.00074836249 0.55417469 103595.49 -0.094731356
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172000 0.0007425125 0 0.00074243825 0.55431854 103595.49 -0.095174333
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173000 0.00074144093 0 0.00074136678 0.55429464 103595.49 -0.094982598
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174000 0.00072375323 0 0.00072368086 0.55421045 103595.49 -0.09489531
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175000 0.0007270779 0 0.00072700519 0.55413607 103595.49 -0.094197685
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176000 0.00071114682 0 0.00071107571 0.55342226 103595.49 -0.093083865
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177000 0.00069325125 0 0.00069318193 0.55441386 103595.49 -0.093289572
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|
178000 0.00067686202 0 0.00067679434 0.55504892 103595.49 -0.093512587
|
|
179000 0.00068326039 0 0.00068319206 0.55519365 103595.49 -0.093974329
|
|
180000 0.00075070045 0 0.00075062538 0.55415541 103595.49 -0.09327459
|
|
181000 0.00077670344 0 0.00077662577 0.55328725 103595.49 -0.092373689
|
|
182000 0.00077422781 0 0.00077415038 0.553131 103595.49 -0.092353979
|
|
183000 0.00080250542 0 0.00080242517 0.5519122 103595.49 -0.091897169
|
|
184000 0.00081235214 0 0.00081227091 0.55172769 103595.49 -0.091906209
|
|
185000 0.00078879443 0 0.00078871555 0.55145488 103595.49 -0.091198506
|
|
186000 0.00078497746 0 0.00078489896 0.55202944 103595.49 -0.091674987
|
|
187000 0.00079483049 0 0.000794751 0.55278073 103595.49 -0.092508295
|
|
188000 0.00079056756 0 0.0007904885 0.55362903 103595.49 -0.092801369
|
|
189000 0.00079162262 0 0.00079154346 0.55429061 103595.49 -0.092964781
|
|
190000 0.00078121133 0 0.00078113321 0.55386716 103595.49 -0.092689851
|
|
191000 0.00076574893 0 0.00076567235 0.5546533 103595.49 -0.093414672
|
|
192000 0.00076215201 0 0.0007620758 0.55503049 103595.49 -0.093986391
|
|
193000 0.00075652635 0 0.0007564507 0.55477696 103595.49 -0.094417347
|
|
194000 0.00075725781 0 0.00075718208 0.55457687 103595.49 -0.094241721
|
|
195000 0.0007434693 0 0.00074339496 0.55471575 103595.49 -0.094102015
|
|
196000 0.00073792493 0 0.00073785114 0.55463671 103595.49 -0.094452279
|
|
197000 0.00074673445 0 0.00074665978 0.55459327 103595.49 -0.09463863
|
|
198000 0.00072734835 0 0.00072727561 0.55514628 103595.49 -0.094622434
|
|
199000 0.00071846919 0 0.00071839734 0.55501969 103595.49 -0.094414887
|
|
200000 0.00072384651 0 0.00072377412 0.55533335 103595.49 -0.094159469
|
|
Loop time of 443.321 on 1 procs for 200000 steps with 10000 atoms
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|
|
|
Performance: 194892.839 tau/day, 451.141 timesteps/s
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|
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads
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|
|
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MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 362.28 | 362.28 | 362.28 | 0.0 | 81.72
|
|
Neigh | 1.737 | 1.737 | 1.737 | 0.0 | 0.39
|
|
Comm | 5.0082 | 5.0082 | 5.0082 | 0.0 | 1.13
|
|
Output | 0.01774 | 0.01774 | 0.01774 | 0.0 | 0.00
|
|
Modify | 64.992 | 64.992 | 64.992 | 0.0 | 14.66
|
|
Other | | 9.286 | | | 2.09
|
|
|
|
Nlocal: 10000.0 ave 10000 max 10000 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
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|
Nghost: 487.000 ave 487 max 487 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 34427.0 ave 34427 max 34427 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 34427
|
|
Ave neighs/atom = 3.4427000
|
|
Neighbor list builds = 244
|
|
Dangerous builds = 0
|
|
|
|
Please see the log.cite file for references relevant to this simulation
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|
|
|
Total wall time: 0:07:23
|