Adding new example
This commit is contained in:
Joel Clemmer
File diff suppressed because it is too large
Load Diff
@ -15,19 +15,19 @@ 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 1.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity
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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 2e-4
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fix 3 all deform 1 xy erate 1e-4
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# dump 1 all custom 2000 dump.granular id x y z radius
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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 100000
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run 200000
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@ -1,12 +1,12 @@
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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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# Big colloid particles and small LJ particles
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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
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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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@ -28,22 +28,22 @@ 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 1.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity
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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 2e-4
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fix 3 all deform 1 xy erate 1e-4
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# dump 1 all custom 2000 dump.granular id x y z radius
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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 100000
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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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@ -56,136 +56,236 @@ Neighbor list info ...
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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) = 14.76 | 14.76 | 14.76 Mbytes
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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 0.00014649953 0 0.00014648488 0.027643657 103595.49 -0.0014952693
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1000 0.00014726802 0 0.00014725329 0.029388139 103595.49 -0.00172238
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2000 0.00014880425 0 0.00014878937 0.029608995 103595.49 -0.0023614491
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3000 0.00015154766 0 0.0001515325 0.029668747 103595.49 -0.0029243775
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4000 0.00015547813 0 0.00015546258 0.029662951 103595.49 -0.0034433688
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5000 0.00015919808 0 0.00015918216 0.02988062 103595.49 -0.0037443111
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6000 0.00016272902 0 0.00016271275 0.029776943 103595.49 -0.0042445445
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7000 0.00016666322 0 0.00016664655 0.029919286 103595.49 -0.0045231987
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8000 0.00017137531 0 0.00017135817 0.029849078 103595.49 -0.0049023441
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9000 0.00017774522 0 0.00017772744 0.029925275 103595.49 -0.0051437804
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10000 0.00018294048 0 0.00018292219 0.030166956 103595.49 -0.0052769381
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11000 0.00019030719 0 0.00019028816 0.02988594 103595.49 -0.0058095975
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12000 0.00019806568 0 0.00019804587 0.029852302 103595.49 -0.0060925449
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13000 0.00020800749 0 0.00020798669 0.029927995 103595.49 -0.0062667347
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14000 0.00021854888 0 0.00021852703 0.029984135 103595.49 -0.0064949797
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15000 0.00022975749 0 0.00022973451 0.030063358 103595.49 -0.0065788835
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16000 0.00024074076 0 0.00024071668 0.03006058 103595.49 -0.006757928
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17000 0.00025363768 0 0.00025361232 0.030138053 103595.49 -0.0068153904
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18000 0.00026618156 0 0.00026615494 0.030621109 103595.49 -0.0067026865
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19000 0.00028000661 0 0.00027997861 0.030520699 103595.49 -0.0067126187
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20000 0.00029472369 0 0.00029469422 0.030182866 103595.49 -0.0071232374
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21000 0.00031065822 0 0.00031062716 0.030417926 103595.49 -0.0070815254
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22000 0.00032789694 0 0.00032786415 0.030434044 103595.49 -0.007044194
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23000 0.00034491703 0 0.00034488253 0.031195478 103595.49 -0.006895101
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24000 0.00036262497 0 0.00036258871 0.030348688 103595.49 -0.0073503964
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25000 0.00038232332 0 0.00038228509 0.030429549 103595.49 -0.0073043833
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26000 0.00040292952 0 0.00040288922 0.030277517 103595.49 -0.0074475354
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27000 0.00042260162 0 0.00042255936 0.030270875 103595.49 -0.0074037511
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28000 0.00044296255 0 0.00044291826 0.030568983 103595.49 -0.0070827585
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29000 0.00046164594 0 0.00046159978 0.030392129 103595.49 -0.0070495682
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30000 0.00048018966 0 0.00048014164 0.03027035 103595.49 -0.0071339757
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31000 0.00049904958 0 0.00049899968 0.030278024 103595.49 -0.0070690708
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32000 0.00051586592 0 0.00051581433 0.030105498 103595.49 -0.007134143
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33000 0.000533257 0 0.00053320367 0.029788452 103595.49 -0.0072245811
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34000 0.00054849405 0 0.0005484392 0.029873916 103595.49 -0.0069597013
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35000 0.00056356221 0 0.00056350586 0.029706011 103595.49 -0.00704387
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36000 0.00057701153 0 0.00057695383 0.029584377 103595.49 -0.006959137
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37000 0.00058975804 0 0.00058969906 0.029510998 103595.49 -0.0069205813
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38000 0.00060106815 0 0.00060100804 0.029866588 103595.49 -0.006493655
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39000 0.00061178223 0 0.00061172105 0.0294686 103595.49 -0.0066809721
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40000 0.00062087616 0 0.00062081407 0.029305512 103595.49 -0.0067040127
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41000 0.00062938061 0 0.00062931767 0.029313523 103595.49 -0.0065943738
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42000 0.0006366437 0 0.00063658004 0.029294719 103595.49 -0.0065039414
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43000 0.00064403805 0 0.00064397364 0.029169615 103595.49 -0.0065453715
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44000 0.00064990286 0 0.00064983787 0.029173689 103595.49 -0.0064757302
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45000 0.00065485285 0 0.00065478736 0.02911295 103595.49 -0.0065336599
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46000 0.00065918851 0 0.00065912259 0.029664657 103595.49 -0.0060618092
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47000 0.00066143867 0 0.00066137253 0.029672077 103595.49 -0.0061605571
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48000 0.00066260774 0 0.00066254148 0.029356515 103595.49 -0.0063944326
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49000 0.0006641111 0 0.00066404469 0.029771162 103595.49 -0.0061440485
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50000 0.00066562386 0 0.0006655573 0.02944773 103595.49 -0.0063912951
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51000 0.00066744319 0 0.00066737645 0.029507067 103595.49 -0.00636767
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52000 0.00066927675 0 0.00066920982 0.029773443 103595.49 -0.0062192673
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53000 0.00066999455 0 0.00066992755 0.029626747 103595.49 -0.0062819185
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54000 0.00067204697 0 0.00067197976 0.029608834 103595.49 -0.0063047897
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55000 0.00067089926 0 0.00067083217 0.029778336 103595.49 -0.006198876
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56000 0.00067044673 0 0.00067037969 0.029707087 103595.49 -0.0062920606
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57000 0.00066987451 0 0.00066980752 0.029751879 103595.49 -0.0062887511
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58000 0.00066781462 0 0.00066774784 0.029673932 103595.49 -0.0063301658
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59000 0.00065347402 0 0.00065340867 0.029540521 103595.49 -0.0064527808
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60000 0.00065304518 0 0.00065297988 0.029801357 103595.49 -0.0062633754
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61000 0.00065183192 0 0.00065176673 0.029786145 103595.49 -0.0063152956
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62000 0.00065242331 0 0.00065235807 0.030461931 103595.49 -0.0060591261
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63000 0.00065491938 0 0.00065485389 0.029715839 103595.49 -0.0065344894
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64000 0.00065769719 0 0.00065763142 0.02977148 103595.49 -0.0065105553
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65000 0.00066125407 0 0.00066118795 0.029534462 103595.49 -0.0066901883
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66000 0.00066433913 0 0.0006642727 0.029949304 103595.49 -0.0064367129
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67000 0.00066819344 0 0.00066812662 0.029629692 103595.49 -0.0067136218
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68000 0.00067300953 0 0.00067294223 0.029793673 103595.49 -0.0065898421
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69000 0.00067875538 0 0.0006786875 0.029651968 103595.49 -0.0067198512
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70000 0.00068416104 0 0.00068409262 0.030125821 103595.49 -0.0063225262
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71000 0.00068728347 0 0.00068721475 0.02958142 103595.49 -0.0066417995
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72000 0.00068926082 0 0.00068919189 0.02976018 103595.49 -0.0063898599
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73000 0.00068953168 0 0.00068946272 0.029574927 103595.49 -0.0065193167
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74000 0.00069104787 0 0.00069097876 0.030209247 103595.49 -0.0060666707
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75000 0.00069606779 0 0.00069599818 0.029636657 103595.49 -0.006387635
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76000 0.00070399158 0 0.00070392118 0.029585803 103595.49 -0.0063291939
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77000 0.00070284473 0 0.00070277445 0.029936591 103595.49 -0.0060359763
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78000 0.00070619015 0 0.00070611953 0.029554333 103595.49 -0.0062453302
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79000 0.00070892936 0 0.00070885847 0.029853506 103595.49 -0.0060833753
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80000 0.00071125368 0 0.00071118255 0.029625268 103595.49 -0.0062046031
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81000 0.00070944317 0 0.00070937223 0.029629542 103595.49 -0.0062343125
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82000 0.00070892851 0 0.00070885762 0.029664456 103595.49 -0.006250692
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83000 0.00070946812 0 0.00070939718 0.029964177 103595.49 -0.006159583
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84000 0.00071198659 0 0.00071191539 0.029813631 103595.49 -0.0062607732
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85000 0.00071266579 0 0.00071259453 0.029645729 103595.49 -0.0064004319
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86000 0.00071461592 0 0.00071454446 0.029700002 103595.49 -0.0063398759
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87000 0.00071781454 0 0.00071774276 0.029748726 103595.49 -0.0063600357
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88000 0.00072016268 0 0.00072009067 0.029772487 103595.49 -0.0063655529
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89000 0.00072272254 0 0.00072265027 0.030006837 103595.49 -0.0063122612
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90000 0.00072122914 0 0.00072115701 0.029982109 103595.49 -0.006439831
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91000 0.00072443479 0 0.00072436235 0.029830121 103595.49 -0.0065202831
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92000 0.00072738733 0 0.00072731459 0.030194727 103595.49 -0.0062808688
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93000 0.00072899838 0 0.00072892548 0.030175295 103595.49 -0.0062914883
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94000 0.00072984304 0 0.00072977006 0.029844017 103595.49 -0.0064737335
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95000 0.00073206475 0 0.00073199154 0.029798899 103595.49 -0.0064644006
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96000 0.00073374806 0 0.00073367468 0.030226823 103595.49 -0.0061626549
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97000 0.00073388886 0 0.00073381547 0.029993629 103595.49 -0.0063710254
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98000 0.00073534207 0 0.00073526854 0.030245848 103595.49 -0.0063407392
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99000 0.00073805531 0 0.0007379815 0.030287955 103595.49 -0.0063646707
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100000 0.0007385798 0 0.00073850594 0.030172948 103595.49 -0.0064654963
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Loop time of 233.709 on 1 procs for 100000 steps with 10000 atoms
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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
|
||||
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
|
||||
17000 0.00020285197 0 0.00020283169 0.5786311 103595.49 -0.040960671
|
||||
18000 0.00020319174 0 0.00020317142 0.57842387 103595.49 -0.042257072
|
||||
19000 0.00020290253 0 0.00020288224 0.57795042 103595.49 -0.043364149
|
||||
20000 0.00020509848 0 0.00020507797 0.5771478 103595.49 -0.044392259
|
||||
21000 0.00021803258 0 0.00021801078 0.57569003 103595.49 -0.044749043
|
||||
22000 0.00020751217 0 0.00020749141 0.57477071 103595.49 -0.045719593
|
||||
23000 0.00022053275 0 0.0002205107 0.57409228 103595.49 -0.047332146
|
||||
24000 0.00022689646 0 0.00022687377 0.57325004 103595.49 -0.04871759
|
||||
25000 0.00025224804 0 0.00025222282 0.57283712 103595.49 -0.050254871
|
||||
26000 0.00025343198 0 0.00025340664 0.57238659 103595.49 -0.051604284
|
||||
27000 0.00026689801 0 0.00026687132 0.57221042 103595.49 -0.052915257
|
||||
28000 0.00027867954 0 0.00027865167 0.57197974 103595.49 -0.053832129
|
||||
29000 0.00028697929 0 0.00028695059 0.57177264 103595.49 -0.054693121
|
||||
30000 0.00028857612 0 0.00028854727 0.57145453 103595.49 -0.055559611
|
||||
31000 0.00029228405 0 0.00029225482 0.5711044 103595.49 -0.056492699
|
||||
32000 0.00029648627 0 0.00029645663 0.57060211 103595.49 -0.05729896
|
||||
33000 0.00030524162 0 0.00030521109 0.57002519 103595.49 -0.058201322
|
||||
34000 0.00031725644 0 0.00031722472 0.56920654 103595.49 -0.059128438
|
||||
35000 0.00032273791 0 0.00032270564 0.56844677 103595.49 -0.060009671
|
||||
36000 0.00033013013 0 0.00033009712 0.56795943 103595.49 -0.061074282
|
||||
37000 0.00033942153 0 0.00033938759 0.56749208 103595.49 -0.062058531
|
||||
38000 0.00035141528 0 0.00035138014 0.56682741 103595.49 -0.062953956
|
||||
39000 0.00036126777 0 0.00036123164 0.56655193 103595.49 -0.063757684
|
||||
40000 0.00037765934 0 0.00037762157 0.5661991 103595.49 -0.064535541
|
||||
41000 0.00040834365 0 0.00040830281 0.56554085 103595.49 -0.064688281
|
||||
42000 0.00042857233 0 0.00042852948 0.56474014 103595.49 -0.065262664
|
||||
43000 0.00042692021 0 0.00042687752 0.56362013 103595.49 -0.065276794
|
||||
44000 0.00040298912 0 0.00040294882 0.5631005 103595.49 -0.065626396
|
||||
45000 0.00040947381 0 0.00040943286 0.56291946 103595.49 -0.066167734
|
||||
46000 0.00040202686 0 0.00040198666 0.56273846 103595.49 -0.066543782
|
||||
47000 0.00038914356 0 0.00038910465 0.56265937 103595.49 -0.067359923
|
||||
48000 0.00038429737 0 0.00038425894 0.56274908 103595.49 -0.068231096
|
||||
49000 0.00036912968 0 0.00036909277 0.56261623 103595.49 -0.068791569
|
||||
50000 0.00035203094 0 0.00035199574 0.56257856 103595.49 -0.069298217
|
||||
51000 0.00034403223 0 0.00034399783 0.56236537 103595.49 -0.070273225
|
||||
52000 0.00034132431 0 0.00034129018 0.56220555 103595.49 -0.071740344
|
||||
53000 0.000335692 0 0.00033565843 0.56194913 103595.49 -0.072834415
|
||||
54000 0.00033048196 0 0.00033044891 0.56231491 103595.49 -0.073996938
|
||||
55000 0.00032751145 0 0.00032747869 0.56225025 103595.49 -0.07506664
|
||||
56000 0.00032696951 0 0.00032693682 0.56285506 103595.49 -0.076445354
|
||||
57000 0.00033158698 0 0.00033155382 0.56354729 103595.49 -0.077682996
|
||||
58000 0.00034300009 0 0.00034296579 0.56416964 103595.49 -0.078836604
|
||||
59000 0.00034340257 0 0.00034336823 0.56490867 103595.49 -0.079658197
|
||||
60000 0.00034736137 0 0.00034732663 0.56519398 103595.49 -0.080570223
|
||||
61000 0.00034984523 0 0.00034981025 0.5651693 103595.49 -0.081115325
|
||||
62000 0.00034995431 0 0.00034991932 0.56534549 103595.49 -0.081486038
|
||||
63000 0.00033854269 0 0.00033850883 0.56582558 103595.49 -0.081892374
|
||||
64000 0.00032621515 0 0.00032618253 0.5658388 103595.49 -0.082786608
|
||||
65000 0.00031773942 0 0.00031770764 0.56576287 103595.49 -0.083706189
|
||||
66000 0.00031772736 0 0.00031769558 0.56548117 103595.49 -0.084236463
|
||||
67000 0.0003148631 0 0.00031483161 0.56483795 103595.49 -0.084506082
|
||||
68000 0.00030359752 0 0.00030356716 0.56446443 103595.49 -0.084985509
|
||||
69000 0.00030395128 0 0.00030392088 0.56437593 103595.49 -0.085548157
|
||||
70000 0.00032811658 0 0.00032808376 0.56372411 103595.49 -0.085304154
|
||||
71000 0.00035494531 0 0.00035490981 0.56326137 103595.49 -0.085047806
|
||||
72000 0.0003253841 0 0.00032535156 0.56244462 103595.49 -0.085693663
|
||||
73000 0.00032328895 0 0.00032325662 0.5629287 103595.49 -0.086119464
|
||||
74000 0.00032650113 0 0.00032646848 0.56306166 103595.49 -0.087182721
|
||||
75000 0.00034303222 0 0.00034299792 0.56219559 103595.49 -0.086604025
|
||||
76000 0.00033786129 0 0.0003378275 0.56188071 103595.49 -0.086852177
|
||||
77000 0.00033559735 0 0.00033556379 0.5619155 103595.49 -0.08689764
|
||||
78000 0.00032579863 0 0.00032576605 0.56177059 103595.49 -0.087109469
|
||||
79000 0.00031610815 0 0.00031607654 0.56160391 103595.49 -0.087250861
|
||||
80000 0.00031246546 0 0.00031243422 0.56181676 103595.49 -0.087117648
|
||||
81000 0.00029392131 0 0.00029389192 0.56205441 103595.49 -0.087601617
|
||||
82000 0.00029624453 0 0.00029621491 0.56285229 103595.49 -0.08824145
|
||||
83000 0.00030538821 0 0.00030535767 0.5627754 103595.49 -0.088318188
|
||||
84000 0.00029587833 0 0.00029584874 0.56267246 103595.49 -0.08930338
|
||||
85000 0.00030551128 0 0.00030548073 0.56251282 103595.49 -0.0897211
|
||||
86000 0.00030000969 0 0.00029997969 0.56249642 103595.49 -0.089920789
|
||||
87000 0.00030211667 0 0.00030208646 0.56256648 103595.49 -0.090315024
|
||||
88000 0.00030524995 0 0.00030521943 0.5623007 103595.49 -0.090706456
|
||||
89000 0.00031961257 0 0.00031958061 0.56210244 103595.49 -0.090852204
|
||||
90000 0.0003195337 0 0.00031950175 0.56207472 103595.49 -0.090879606
|
||||
91000 0.00033860446 0 0.0003385706 0.56197196 103595.49 -0.090891252
|
||||
92000 0.0003327551 0 0.00033272183 0.56172473 103595.49 -0.090725694
|
||||
93000 0.00032983619 0 0.00032980321 0.5619443 103595.49 -0.090626404
|
||||
94000 0.00034024354 0 0.00034020952 0.56150371 103595.49 -0.090769983
|
||||
95000 0.00033201405 0 0.00033198084 0.56145998 103595.49 -0.09102312
|
||||
96000 0.00032851608 0 0.00032848323 0.56201045 103595.49 -0.09152522
|
||||
97000 0.0003353172 0 0.00033528367 0.56256203 103595.49 -0.092443634
|
||||
98000 0.00033453146 0 0.00033449801 0.5632537 103595.49 -0.093069693
|
||||
99000 0.00034432742 0 0.00034429299 0.56355465 103595.49 -0.093332298
|
||||
100000 0.00035299312 0 0.00035295782 0.56420115 103595.49 -0.093871701
|
||||
101000 0.00042149444 0 0.00042145229 0.56424332 103595.49 -0.094001873
|
||||
102000 0.0004580706 0 0.0004580248 0.56378535 103595.49 -0.093786943
|
||||
103000 0.00046113464 0 0.00046108853 0.56428549 103595.49 -0.093463429
|
||||
104000 0.00047583409 0 0.00047578651 0.5645355 103595.49 -0.093225615
|
||||
105000 0.00048367276 0 0.00048362439 0.56469488 103595.49 -0.092935582
|
||||
106000 0.00046931008 0 0.00046926315 0.56464923 103595.49 -0.09282958
|
||||
107000 0.00046460766 0 0.00046456119 0.56502528 103595.49 -0.093077749
|
||||
108000 0.00046398187 0 0.00046393547 0.56532911 103595.49 -0.09321949
|
||||
109000 0.00047530523 0 0.0004752577 0.56561281 103595.49 -0.093217991
|
||||
110000 0.00048531886 0 0.00048527033 0.56549262 103595.49 -0.092956034
|
||||
111000 0.00049659003 0 0.00049654038 0.56507505 103595.49 -0.092554122
|
||||
112000 0.00050113619 0 0.00050108607 0.56528891 103595.49 -0.092227508
|
||||
113000 0.0005138896 0 0.00051383821 0.56550655 103595.49 -0.092096556
|
||||
114000 0.00052560295 0 0.00052555039 0.56567551 103595.49 -0.09181586
|
||||
115000 0.00054349317 0 0.00054343882 0.56530917 103595.49 -0.090961623
|
||||
116000 0.00056022902 0 0.00056017299 0.56482302 103595.49 -0.090810658
|
||||
117000 0.00055876064 0 0.00055870476 0.56488791 103595.49 -0.090329656
|
||||
118000 0.00056191427 0 0.00056185808 0.56461166 103595.49 -0.090161067
|
||||
119000 0.0005488829 0 0.00054882801 0.56437975 103595.49 -0.090328459
|
||||
120000 0.00054084712 0 0.00054079303 0.564481 103595.49 -0.090602791
|
||||
121000 0.00053717105 0 0.00053711733 0.56481743 103595.49 -0.090309102
|
||||
122000 0.00053834163 0 0.00053828779 0.56385259 103595.49 -0.090433254
|
||||
123000 0.00053319394 0 0.00053314062 0.56335613 103595.49 -0.090723928
|
||||
124000 0.00053127439 0 0.00053122127 0.5631684 103595.49 -0.091178253
|
||||
125000 0.00053624623 0 0.00053619261 0.56387166 103595.49 -0.091701174
|
||||
126000 0.0005253773 0 0.00052532476 0.5639006 103595.49 -0.092033098
|
||||
127000 0.00052459276 0 0.0005245403 0.56361298 103595.49 -0.092219098
|
||||
128000 0.00054030806 0 0.00054025403 0.56307203 103595.49 -0.092196938
|
||||
129000 0.00055474894 0 0.00055469346 0.5622815 103595.49 -0.09178309
|
||||
130000 0.00057391115 0 0.00057385376 0.56244981 103595.49 -0.09170211
|
||||
131000 0.00058650769 0 0.00058644904 0.56195859 103595.49 -0.090649841
|
||||
132000 0.00058529163 0 0.0005852331 0.56162943 103595.49 -0.090167101
|
||||
133000 0.00062544817 0 0.00062538563 0.5594761 103595.49 -0.088989624
|
||||
134000 0.00063457749 0 0.00063451403 0.55917757 103595.49 -0.089702278
|
||||
135000 0.00065371789 0 0.00065365252 0.55885043 103595.49 -0.090030252
|
||||
136000 0.00070050714 0 0.00070043709 0.55854751 103595.49 -0.08960124
|
||||
137000 0.0006750775 0 0.00067501 0.55809563 103595.49 -0.090252473
|
||||
138000 0.00068827043 0 0.0006882016 0.55806674 103595.49 -0.090238994
|
||||
139000 0.00069748073 0 0.00069741098 0.55734587 103595.49 -0.090118549
|
||||
140000 0.00071065284 0 0.00071058177 0.55711669 103595.49 -0.090336074
|
||||
141000 0.00070994204 0 0.00070987104 0.55638115 103595.49 -0.089917062
|
||||
142000 0.00071514386 0 0.00071507235 0.55614391 103595.49 -0.090392071
|
||||
143000 0.00071334667 0 0.00071327533 0.55640687 103595.49 -0.091256718
|
||||
144000 0.00069553102 0 0.00069546147 0.55705702 103595.49 -0.091761396
|
||||
145000 0.00068849503 0 0.00068842618 0.55692035 103595.49 -0.091895738
|
||||
146000 0.00068407816 0 0.00068400975 0.55660026 103595.49 -0.092191588
|
||||
147000 0.00069521557 0 0.00069514605 0.55556456 103595.49 -0.092354739
|
||||
148000 0.00068349281 0 0.00068342446 0.55537498 103595.49 -0.092914636
|
||||
149000 0.00067959644 0 0.00067952848 0.55537695 103595.49 -0.093738463
|
||||
150000 0.00067100566 0 0.00067093856 0.55544851 103595.49 -0.094104003
|
||||
151000 0.00068044722 0 0.00068037917 0.5554655 103595.49 -0.094943239
|
||||
152000 0.00068109012 0 0.00068102201 0.55585405 103595.49 -0.095355111
|
||||
153000 0.00068666181 0 0.00068659314 0.55501583 103595.49 -0.095234652
|
||||
154000 0.00068283406 0 0.00068276578 0.55644996 103595.49 -0.095902623
|
||||
155000 0.00069836346 0 0.00069829363 0.55747472 103595.49 -0.096978444
|
||||
156000 0.00072807264 0 0.00072799984 0.55807332 103595.49 -0.097415305
|
||||
157000 0.00077300609 0 0.00077292879 0.55871196 103595.49 -0.098034508
|
||||
158000 0.00081631408 0 0.00081623245 0.558479 103595.49 -0.09825722
|
||||
159000 0.00079291984 0 0.00079284054 0.55784788 103595.49 -0.097758094
|
||||
160000 0.0008203256 0 0.00082024357 0.55700259 103595.49 -0.097519328
|
||||
161000 0.00081471235 0 0.00081463087 0.556622 103595.49 -0.097787992
|
||||
162000 0.00080692462 0 0.00080684393 0.5566795 103595.49 -0.097210216
|
||||
163000 0.00081149678 0 0.00081141564 0.55596697 103595.49 -0.097517476
|
||||
164000 0.00081577795 0 0.00081569637 0.55569684 103595.49 -0.096908869
|
||||
165000 0.00084604988 0 0.00084596528 0.55492052 103595.49 -0.095481627
|
||||
166000 0.00082198923 0 0.00082190703 0.5552628 103595.49 -0.09477531
|
||||
167000 0.00084903108 0 0.00084894618 0.55477991 103595.49 -0.094758799
|
||||
168000 0.00081613582 0 0.00081605421 0.55508416 103595.49 -0.094804088
|
||||
169000 0.00083341061 0 0.00083332727 0.55476794 103595.49 -0.094519882
|
||||
170000 0.00077835092 0 0.00077827308 0.55516626 103595.49 -0.094843673
|
||||
171000 0.00074843733 0 0.00074836249 0.55417469 103595.49 -0.094731356
|
||||
172000 0.0007425125 0 0.00074243825 0.55431854 103595.49 -0.095174333
|
||||
173000 0.00074144093 0 0.00074136678 0.55429464 103595.49 -0.094982598
|
||||
174000 0.00072375323 0 0.00072368086 0.55421045 103595.49 -0.09489531
|
||||
175000 0.0007270779 0 0.00072700519 0.55413607 103595.49 -0.094197685
|
||||
176000 0.00071114682 0 0.00071107571 0.55342226 103595.49 -0.093083865
|
||||
177000 0.00069325125 0 0.00069318193 0.55441386 103595.49 -0.093289572
|
||||
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
|
||||
|
||||
Performance: 184845.371 tau/day, 427.883 timesteps/s
|
||||
Performance: 194892.839 tau/day, 451.141 timesteps/s
|
||||
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 193.18 | 193.18 | 193.18 | 0.0 | 82.66
|
||||
Neigh | 1.1138 | 1.1138 | 1.1138 | 0.0 | 0.48
|
||||
Comm | 2.3652 | 2.3652 | 2.3652 | 0.0 | 1.01
|
||||
Output | 0.0092981 | 0.0092981 | 0.0092981 | 0.0 | 0.00
|
||||
Modify | 32.407 | 32.407 | 32.407 | 0.0 | 13.87
|
||||
Other | | 4.628 | | | 1.98
|
||||
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
|
||||
Nghost: 446.000 ave 446 max 446 min
|
||||
Nghost: 487.000 ave 487 max 487 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 34464.0 ave 34464 max 34464 min
|
||||
Neighs: 34427.0 ave 34427 max 34427 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 34464
|
||||
Ave neighs/atom = 3.4464000
|
||||
Neighbor list builds = 153
|
||||
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
|
||||
|
||||
Total wall time: 0:03:53
|
||||
Total wall time: 0:07:23
|
||||
|
||||
@ -1,12 +1,12 @@
|
||||
LAMMPS (24 Dec 2020)
|
||||
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:97)
|
||||
using 1 OpenMP thread(s) per MPI task
|
||||
# Big colloid particles and small LJ particles
|
||||
# Shear power-law distributed granular particles
|
||||
|
||||
units lj
|
||||
atom_style sphere
|
||||
dimension 2
|
||||
read_data data
|
||||
read_data data.powerlaw
|
||||
Reading data file ...
|
||||
triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000)
|
||||
2 by 2 by 1 MPI processor grid
|
||||
@ -14,7 +14,7 @@ Reading data file ...
|
||||
10000 atoms
|
||||
reading velocities ...
|
||||
10000 velocities
|
||||
read_data CPU = 0.024 seconds
|
||||
read_data CPU = 0.114 seconds
|
||||
change_box all triclinic
|
||||
Changing box ...
|
||||
triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000)
|
||||
@ -28,22 +28,22 @@ comm_modify mode multi vel yes reduce/multi
|
||||
# granular potential
|
||||
|
||||
pair_style granular
|
||||
pair_coeff * * hooke 1.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity
|
||||
pair_coeff * * hooke 20.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity
|
||||
|
||||
# fixes
|
||||
|
||||
fix 1 all nve/sphere
|
||||
fix 2 all enforce2d
|
||||
fix 3 all deform 1 xy erate 2e-4
|
||||
fix 3 all deform 1 xy erate 1e-4
|
||||
|
||||
# dump 1 all custom 2000 dump.granular id x y z radius
|
||||
# dump 1 all custom 20000 dump.granular id x y z radius
|
||||
|
||||
thermo_style custom step temp epair etotal press vol pxy
|
||||
thermo 1000
|
||||
|
||||
timestep 0.005
|
||||
|
||||
run 100000
|
||||
run 200000
|
||||
Neighbor list info ...
|
||||
update every 1 steps, delay 0 steps, check yes
|
||||
max neighbors/atom: 2000, page size: 100000
|
||||
@ -58,134 +58,234 @@ Neighbor list info ...
|
||||
bin: multi
|
||||
Per MPI rank memory allocation (min/avg/max) = 12.65 | 12.67 | 12.68 Mbytes
|
||||
Step Temp E_pair TotEng Press Volume Pxy
|
||||
0 0.00014649953 0 0.00014648488 0.027643657 103595.49 -0.0014952693
|
||||
1000 0.00014726802 0 0.00014725329 0.029388139 103595.49 -0.00172238
|
||||
2000 0.00014880425 0 0.00014878937 0.029608995 103595.49 -0.0023614491
|
||||
3000 0.00015154766 0 0.0001515325 0.029668747 103595.49 -0.0029243775
|
||||
4000 0.00015547813 0 0.00015546258 0.029662951 103595.49 -0.0034433688
|
||||
5000 0.00015919808 0 0.00015918216 0.02988062 103595.49 -0.0037443111
|
||||
6000 0.00016272902 0 0.00016271275 0.029776943 103595.49 -0.0042445445
|
||||
7000 0.00016666322 0 0.00016664655 0.029919286 103595.49 -0.0045231987
|
||||
8000 0.00017137531 0 0.00017135817 0.029849078 103595.49 -0.0049023441
|
||||
9000 0.00017774522 0 0.00017772744 0.029925275 103595.49 -0.0051437804
|
||||
10000 0.00018294048 0 0.00018292219 0.030166956 103595.49 -0.0052769381
|
||||
11000 0.00019030719 0 0.00019028816 0.02988594 103595.49 -0.0058095975
|
||||
12000 0.00019806568 0 0.00019804587 0.029852302 103595.49 -0.0060925449
|
||||
13000 0.00020800749 0 0.00020798669 0.029927995 103595.49 -0.0062667347
|
||||
14000 0.00021854888 0 0.00021852703 0.029984135 103595.49 -0.0064949797
|
||||
15000 0.00022975749 0 0.00022973451 0.030063358 103595.49 -0.0065788835
|
||||
16000 0.00024074076 0 0.00024071668 0.03006058 103595.49 -0.006757928
|
||||
17000 0.00025363768 0 0.00025361232 0.030138053 103595.49 -0.0068153904
|
||||
18000 0.00026618156 0 0.00026615494 0.030621109 103595.49 -0.0067026865
|
||||
19000 0.00028000661 0 0.00027997861 0.030520699 103595.49 -0.0067126187
|
||||
20000 0.00029472369 0 0.00029469422 0.030182866 103595.49 -0.0071232374
|
||||
21000 0.00031065822 0 0.00031062716 0.030417926 103595.49 -0.0070815254
|
||||
22000 0.00032789694 0 0.00032786415 0.030434044 103595.49 -0.007044194
|
||||
23000 0.00034491703 0 0.00034488253 0.031195478 103595.49 -0.006895101
|
||||
24000 0.00036262497 0 0.00036258871 0.030348688 103595.49 -0.0073503964
|
||||
25000 0.00038232332 0 0.00038228509 0.030429549 103595.49 -0.0073043833
|
||||
26000 0.00040292952 0 0.00040288922 0.030277517 103595.49 -0.0074475354
|
||||
27000 0.00042260162 0 0.00042255936 0.030270875 103595.49 -0.0074037511
|
||||
28000 0.00044296255 0 0.00044291826 0.030568983 103595.49 -0.0070827585
|
||||
29000 0.00046164594 0 0.00046159978 0.030392129 103595.49 -0.0070495682
|
||||
30000 0.00048018966 0 0.00048014164 0.03027035 103595.49 -0.0071339757
|
||||
31000 0.00049904958 0 0.00049899968 0.030278024 103595.49 -0.0070690709
|
||||
32000 0.00051586592 0 0.00051581433 0.030105498 103595.49 -0.007134143
|
||||
33000 0.000533257 0 0.00053320367 0.029788452 103595.49 -0.0072245811
|
||||
34000 0.00054849405 0 0.0005484392 0.029873916 103595.49 -0.0069597013
|
||||
35000 0.00056356221 0 0.00056350586 0.029706011 103595.49 -0.00704387
|
||||
36000 0.00057701153 0 0.00057695383 0.029584377 103595.49 -0.006959137
|
||||
37000 0.00058975804 0 0.00058969906 0.029510998 103595.49 -0.0069205813
|
||||
38000 0.00060106815 0 0.00060100804 0.029866588 103595.49 -0.006493655
|
||||
39000 0.0006117822 0 0.00061172102 0.029468049 103595.49 -0.0066810094
|
||||
40000 0.00062087615 0 0.00062081406 0.02930398 103595.49 -0.0067044715
|
||||
41000 0.00062938044 0 0.0006293175 0.029314381 103595.49 -0.0065941361
|
||||
42000 0.00063664289 0 0.00063657923 0.029294787 103595.49 -0.0065039202
|
||||
43000 0.00064404027 0 0.00064397587 0.029224232 103595.49 -0.0065035306
|
||||
44000 0.00064990723 0 0.00064984224 0.029142324 103595.49 -0.0065034116
|
||||
45000 0.00065485343 0 0.00065478795 0.029121173 103595.49 -0.0065214973
|
||||
46000 0.00065918796 0 0.00065912204 0.029651005 103595.49 -0.0060509446
|
||||
47000 0.00066144517 0 0.00066137903 0.029234729 103595.49 -0.0064672274
|
||||
48000 0.00066261185 0 0.00066254559 0.029229845 103595.49 -0.0065053596
|
||||
49000 0.00066414215 0 0.00066407574 0.029562705 103595.49 -0.0062441985
|
||||
50000 0.0006656453 0 0.00066557874 0.029728174 103595.49 -0.0062147051
|
||||
51000 0.00066738973 0 0.00066732299 0.029928822 103595.49 -0.0060118516
|
||||
52000 0.00066929756 0 0.00066923063 0.029886551 103595.49 -0.0061374389
|
||||
53000 0.00067003172 0 0.00066996472 0.029567015 103595.49 -0.0063482821
|
||||
54000 0.00067198511 0 0.00067191791 0.029833698 103595.49 -0.0061879264
|
||||
55000 0.00067091193 0 0.00067084484 0.029711467 103595.49 -0.006233379
|
||||
56000 0.00067046578 0 0.00067039873 0.030035238 103595.49 -0.0060959401
|
||||
57000 0.00066988234 0 0.00066981535 0.030055225 103595.49 -0.0060935858
|
||||
58000 0.00066786916 0 0.00066780238 0.029282172 103595.49 -0.0066021495
|
||||
59000 0.00065350543 0 0.00065344008 0.029343567 103595.49 -0.0065364678
|
||||
60000 0.0006530936 0 0.0006530283 0.02940862 103595.49 -0.0065558353
|
||||
61000 0.00065187483 0 0.00065180964 0.02929946 103595.49 -0.0066840857
|
||||
62000 0.00065245428 0 0.00065238904 0.030084765 103595.49 -0.0063065368
|
||||
63000 0.0006549311 0 0.00065486561 0.029725525 103595.49 -0.0065305296
|
||||
64000 0.00065774123 0 0.00065767546 0.029562667 103595.49 -0.0066194535
|
||||
65000 0.00066126698 0 0.00066120085 0.029524987 103595.49 -0.0067008104
|
||||
66000 0.0006643846 0 0.00066431816 0.029589813 103595.49 -0.0066689844
|
||||
67000 0.00066823073 0 0.00066816391 0.029613668 103595.49 -0.0067372273
|
||||
68000 0.00067301835 0 0.00067295104 0.029568568 103595.49 -0.0067808311
|
||||
69000 0.00067876831 0 0.00067870043 0.029948152 103595.49 -0.0065107568
|
||||
70000 0.00068419902 0 0.0006841306 0.029572996 103595.49 -0.0067066975
|
||||
71000 0.00068730343 0 0.0006872347 0.029970497 103595.49 -0.0063646358
|
||||
72000 0.00068930016 0 0.00068923123 0.029602044 103595.49 -0.0064953597
|
||||
73000 0.00068953092 0 0.00068946197 0.029671751 103595.49 -0.0064422021
|
||||
74000 0.00069106659 0 0.00069099748 0.029918321 103595.49 -0.0062634576
|
||||
75000 0.00069609345 0 0.00069602384 0.029666179 103595.49 -0.0063552778
|
||||
76000 0.00070399534 0 0.00070392494 0.029599912 103595.49 -0.0063251165
|
||||
77000 0.00070284669 0 0.00070277641 0.029658992 103595.49 -0.0061988379
|
||||
78000 0.00070619715 0 0.00070612653 0.029578035 103595.49 -0.0062153063
|
||||
79000 0.00070895477 0 0.00070888388 0.029617734 103595.49 -0.0062090554
|
||||
80000 0.00071127424 0 0.00071120311 0.029539347 103595.49 -0.0062883775
|
||||
81000 0.00070945256 0 0.00070938162 0.029515493 103595.49 -0.0063350852
|
||||
82000 0.00070895167 0 0.00070888078 0.029537389 103595.49 -0.0063819074
|
||||
83000 0.00070948858 0 0.00070941763 0.02998589 103595.49 -0.0061284544
|
||||
84000 0.00071197606 0 0.00071190486 0.030005566 103595.49 -0.0061829926
|
||||
85000 0.00071266684 0 0.00071259557 0.029675137 103595.49 -0.0063804963
|
||||
86000 0.00071465352 0 0.00071458205 0.029762675 103595.49 -0.0062924985
|
||||
87000 0.00071779428 0 0.0007177225 0.029712831 103595.49 -0.0063812951
|
||||
88000 0.00072016431 0 0.0007200923 0.029932619 103595.49 -0.0063145709
|
||||
89000 0.00072271727 0 0.000722645 0.029818327 103595.49 -0.0064025621
|
||||
90000 0.00072122834 0 0.00072115622 0.029829495 103595.49 -0.0065870713
|
||||
91000 0.00072441206 0 0.00072433962 0.029939415 103595.49 -0.0064224045
|
||||
92000 0.00072735846 0 0.00072728572 0.02991447 103595.49 -0.0064256019
|
||||
93000 0.00072898882 0 0.00072891592 0.030230938 103595.49 -0.0061929729
|
||||
94000 0.00072985209 0 0.00072977911 0.030145973 103595.49 -0.0062797016
|
||||
95000 0.0007320685 0 0.0007319953 0.030113809 103595.49 -0.0062765142
|
||||
96000 0.0007337917 0 0.00073371832 0.029919191 103595.49 -0.0063350801
|
||||
97000 0.00073385417 0 0.00073378078 0.030184207 103595.49 -0.0062855982
|
||||
98000 0.00073531629 0 0.00073524276 0.029974905 103595.49 -0.0064826333
|
||||
99000 0.0007380024 0 0.0007379286 0.030678507 103595.49 -0.0060867823
|
||||
100000 0.00073858055 0 0.00073850669 0.030048209 103595.49 -0.0065772058
|
||||
Loop time of 77.8133 on 4 procs for 100000 steps with 10000 atoms
|
||||
0 4.9204851e-05 0 4.9199931e-05 0.61204991 103595.49 -0.00083309917
|
||||
1000 0.00038076464 0 0.00038072657 0.58694623 103595.49 -0.0066712806
|
||||
2000 0.00027986478 0 0.00027983679 0.5845274 103595.49 -0.008880933
|
||||
3000 0.00022105227 0 0.00022103017 0.58295464 103595.49 -0.011327442
|
||||
4000 0.00020888366 0 0.00020886277 0.5826542 103595.49 -0.014147424
|
||||
5000 0.00019912663 0 0.00019910672 0.58175837 103595.49 -0.015685634
|
||||
6000 0.0001989441 0 0.00019892421 0.58170841 103595.49 -0.017379973
|
||||
7000 0.00019307783 0 0.00019305852 0.58133913 103595.49 -0.019556709
|
||||
8000 0.00018132444 0 0.00018130631 0.58134077 103595.49 -0.021609399
|
||||
9000 0.00017909088 0 0.00017907297 0.58117179 103595.49 -0.023603514
|
||||
10000 0.00018391928 0 0.00018390089 0.58070675 103595.49 -0.026026784
|
||||
11000 0.00018985439 0 0.00018983541 0.58006086 103595.49 -0.028574238
|
||||
12000 0.00018903569 0 0.00018901678 0.5794232 103595.49 -0.031151884
|
||||
13000 0.00019070382 0 0.00019068475 0.57890243 103595.49 -0.033469404
|
||||
14000 0.00019371625 0 0.00019369688 0.5787389 103595.49 -0.035646526
|
||||
15000 0.00019833475 0 0.00019831492 0.57883166 103595.49 -0.037709788
|
||||
16000 0.0002011729 0 0.00020115278 0.57875606 103595.49 -0.039452453
|
||||
17000 0.00020285197 0 0.00020283168 0.5786311 103595.49 -0.040960671
|
||||
18000 0.00020319173 0 0.00020317141 0.57842387 103595.49 -0.042257076
|
||||
19000 0.00020290253 0 0.00020288224 0.57795043 103595.49 -0.043364149
|
||||
20000 0.00020509847 0 0.00020507796 0.57714779 103595.49 -0.04439226
|
||||
21000 0.0002180326 0 0.0002180108 0.57569003 103595.49 -0.044749042
|
||||
22000 0.00020751218 0 0.00020749143 0.57477071 103595.49 -0.045719595
|
||||
23000 0.0002205328 0 0.00022051075 0.57409228 103595.49 -0.047332145
|
||||
24000 0.00022689643 0 0.00022687374 0.57325004 103595.49 -0.048717593
|
||||
25000 0.00025224797 0 0.00025222275 0.57283728 103595.49 -0.050255013
|
||||
26000 0.00025343192 0 0.00025340657 0.5723866 103595.49 -0.051604294
|
||||
27000 0.0002668981 0 0.00026687141 0.57221051 103595.49 -0.052915314
|
||||
28000 0.00027867942 0 0.00027865155 0.57197889 103595.49 -0.053831415
|
||||
29000 0.00028697868 0 0.00028694998 0.57177287 103595.49 -0.054693262
|
||||
30000 0.00028857623 0 0.00028854737 0.5714545 103595.49 -0.055559583
|
||||
31000 0.00029228526 0 0.00029225603 0.57110328 103595.49 -0.056491646
|
||||
32000 0.00029648479 0 0.00029645514 0.57060242 103595.49 -0.057299367
|
||||
33000 0.00030524226 0 0.00030521174 0.57003089 103595.49 -0.058207205
|
||||
34000 0.00031725278 0 0.00031722106 0.56920179 103595.49 -0.059123522
|
||||
35000 0.00032273715 0 0.00032270488 0.56844806 103595.49 -0.06001074
|
||||
36000 0.00033013214 0 0.00033009912 0.56795631 103595.49 -0.06107304
|
||||
37000 0.00033942364 0 0.00033938969 0.56749308 103595.49 -0.062060209
|
||||
38000 0.00035140856 0 0.00035137342 0.56682754 103595.49 -0.062954063
|
||||
39000 0.00036125739 0 0.00036122126 0.56654839 103595.49 -0.063755554
|
||||
40000 0.00037765404 0 0.00037761628 0.56619876 103595.49 -0.064535888
|
||||
41000 0.00040833154 0 0.00040829071 0.56554179 103595.49 -0.064688901
|
||||
42000 0.0004285629 0 0.00042852004 0.56474124 103595.49 -0.06526276
|
||||
43000 0.00042691211 0 0.00042686942 0.56362219 103595.49 -0.065275494
|
||||
44000 0.00040296803 0 0.00040292773 0.56310053 103595.49 -0.065625772
|
||||
45000 0.00040933842 0 0.00040929749 0.56291338 103595.49 -0.066164396
|
||||
46000 0.00040202229 0 0.00040198209 0.56273845 103595.49 -0.066541045
|
||||
47000 0.00038914157 0 0.00038910266 0.562658 103595.49 -0.067357923
|
||||
48000 0.00038428678 0 0.00038424835 0.5627468 103595.49 -0.068230972
|
||||
49000 0.00036912501 0 0.0003690881 0.56261857 103595.49 -0.068794933
|
||||
50000 0.00035203987 0 0.00035200467 0.56258099 103595.49 -0.069290362
|
||||
51000 0.00034400774 0 0.00034397334 0.56237066 103595.49 -0.070274303
|
||||
52000 0.00034126666 0 0.00034123253 0.56221436 103595.49 -0.071744779
|
||||
53000 0.00033563205 0 0.00033559849 0.56195218 103595.49 -0.072836324
|
||||
54000 0.0003304406 0 0.00033040756 0.5623187 103595.49 -0.073999087
|
||||
55000 0.00032742828 0 0.00032739553 0.56225383 103595.49 -0.075066978
|
||||
56000 0.00032696921 0 0.00032693651 0.56285643 103595.49 -0.076445225
|
||||
57000 0.0003316388 0 0.00033160564 0.56354513 103595.49 -0.077683955
|
||||
58000 0.00034325202 0 0.0003432177 0.56416895 103595.49 -0.078839054
|
||||
59000 0.0003433584 0 0.00034332406 0.56490343 103595.49 -0.079658776
|
||||
60000 0.00034732721 0 0.00034729247 0.5651932 103595.49 -0.080573609
|
||||
61000 0.00034978913 0 0.00034975415 0.56517379 103595.49 -0.081109788
|
||||
62000 0.00034995232 0 0.00034991733 0.56534537 103595.49 -0.081491908
|
||||
63000 0.00033854315 0 0.00033850929 0.56582246 103595.49 -0.081894953
|
||||
64000 0.0003260452 0 0.00032601259 0.56583259 103595.49 -0.082790811
|
||||
65000 0.00031763096 0 0.0003175992 0.56576947 103595.49 -0.083707224
|
||||
66000 0.00031761371 0 0.00031758194 0.56548785 103595.49 -0.084243042
|
||||
67000 0.00031503681 0 0.0003150053 0.56483862 103595.49 -0.08451056
|
||||
68000 0.0003036386 0 0.00030360824 0.56444755 103595.49 -0.084967521
|
||||
69000 0.00030398979 0 0.00030395939 0.56436362 103595.49 -0.085541879
|
||||
70000 0.0003281569 0 0.00032812409 0.56372598 103595.49 -0.085287975
|
||||
71000 0.00035614631 0 0.0003561107 0.56322133 103595.49 -0.084970215
|
||||
72000 0.00032709207 0 0.00032705936 0.56231837 103595.49 -0.085540239
|
||||
73000 0.00032545048 0 0.00032541793 0.56278947 103595.49 -0.085940822
|
||||
74000 0.00033285331 0 0.00033282002 0.56288405 103595.49 -0.08695227
|
||||
75000 0.00034622589 0 0.00034619127 0.56198219 103595.49 -0.086349357
|
||||
76000 0.00033654825 0 0.0003365146 0.56183659 103595.49 -0.086892729
|
||||
77000 0.00033550364 0 0.00033547009 0.56197292 103595.49 -0.087018641
|
||||
78000 0.00032680247 0 0.00032676979 0.56183307 103595.49 -0.087097072
|
||||
79000 0.00031624495 0 0.00031621333 0.56161689 103595.49 -0.087358849
|
||||
80000 0.0003124879 0 0.00031245665 0.5618608 103595.49 -0.087165611
|
||||
81000 0.00029451552 0 0.00029448606 0.56211081 103595.49 -0.087652479
|
||||
82000 0.00029588468 0 0.00029585509 0.5628096 103595.49 -0.08832193
|
||||
83000 0.00030483225 0 0.00030480177 0.56261673 103595.49 -0.088586937
|
||||
84000 0.00029556003 0 0.00029553047 0.56272654 103595.49 -0.089434209
|
||||
85000 0.00030506369 0 0.00030503319 0.5627918 103595.49 -0.089830152
|
||||
86000 0.00030015302 0 0.00030012301 0.56240656 103595.49 -0.090100219
|
||||
87000 0.00030322942 0 0.0003031991 0.56243997 103595.49 -0.090327187
|
||||
88000 0.00030569181 0 0.00030566124 0.56236256 103595.49 -0.090734148
|
||||
89000 0.00031220625 0 0.00031217503 0.5621542 103595.49 -0.090898044
|
||||
90000 0.00032214966 0 0.00032211744 0.56209534 103595.49 -0.090909986
|
||||
91000 0.00033884101 0 0.00033880712 0.56191673 103595.49 -0.090818046
|
||||
92000 0.00033260559 0 0.00033257233 0.56172194 103595.49 -0.090647169
|
||||
93000 0.00032732547 0 0.00032729274 0.5619652 103595.49 -0.090575176
|
||||
94000 0.00033817734 0 0.00033814352 0.56155436 103595.49 -0.090700379
|
||||
95000 0.00033009649 0 0.00033006348 0.56147407 103595.49 -0.090940641
|
||||
96000 0.00032882782 0 0.00032879494 0.56191577 103595.49 -0.091469188
|
||||
97000 0.00032856078 0 0.00032852793 0.56271585 103595.49 -0.092256803
|
||||
98000 0.00033030749 0 0.00033027446 0.56340097 103595.49 -0.093188128
|
||||
99000 0.00033611507 0 0.00033608146 0.56375754 103595.49 -0.093539699
|
||||
100000 0.00034990568 0 0.00034987069 0.56450225 103595.49 -0.093951624
|
||||
101000 0.00044441478 0 0.00044437034 0.56437908 103595.49 -0.094161976
|
||||
102000 0.00045403284 0 0.00045398743 0.56433013 103595.49 -0.093900071
|
||||
103000 0.00045412317 0 0.00045407776 0.56468095 103595.49 -0.093670567
|
||||
104000 0.00046494637 0 0.00046489988 0.56478442 103595.49 -0.093397211
|
||||
105000 0.00047962271 0 0.00047957475 0.56482329 103595.49 -0.093141318
|
||||
106000 0.00046840864 0 0.0004683618 0.56494359 103595.49 -0.092994704
|
||||
107000 0.00046432422 0 0.00046427779 0.56543377 103595.49 -0.093135897
|
||||
108000 0.0004655443 0 0.00046549774 0.5656898 103595.49 -0.093383926
|
||||
109000 0.0004863785 0 0.00048632986 0.5657434 103595.49 -0.093328929
|
||||
110000 0.00048804324 0 0.00048799443 0.5656147 103595.49 -0.09302382
|
||||
111000 0.00050352097 0 0.00050347062 0.56529279 103595.49 -0.092461373
|
||||
112000 0.00050474509 0 0.00050469461 0.56537494 103595.49 -0.092212501
|
||||
113000 0.0005125299 0 0.00051247865 0.56547326 103595.49 -0.092304578
|
||||
114000 0.00052700168 0 0.00052694898 0.56568076 103595.49 -0.092013613
|
||||
115000 0.00054217865 0 0.00054212444 0.56526328 103595.49 -0.091011537
|
||||
116000 0.00055122699 0 0.00055117186 0.56489606 103595.49 -0.090688925
|
||||
117000 0.00055802701 0 0.00055797121 0.56458767 103595.49 -0.090385903
|
||||
118000 0.00055416633 0 0.00055411091 0.56433528 103595.49 -0.090454192
|
||||
119000 0.00055519395 0 0.00055513843 0.56411926 103595.49 -0.090495063
|
||||
120000 0.0005535194 0 0.00055346405 0.56424847 103595.49 -0.090915789
|
||||
121000 0.00054781097 0 0.00054775619 0.56443756 103595.49 -0.090687173
|
||||
122000 0.00054528815 0 0.00054523362 0.56401103 103595.49 -0.090443168
|
||||
123000 0.0005456223 0 0.00054556773 0.56376875 103595.49 -0.090277114
|
||||
124000 0.00054080131 0 0.00054074723 0.563306 103595.49 -0.091297668
|
||||
125000 0.00054597 0 0.0005459154 0.56387718 103595.49 -0.091522394
|
||||
126000 0.000544669 0 0.00054461453 0.56318185 103595.49 -0.091100523
|
||||
127000 0.00054592361 0 0.00054586902 0.56328758 103595.49 -0.091299714
|
||||
128000 0.00056246325 0 0.000562407 0.56296852 103595.49 -0.091491356
|
||||
129000 0.00057655488 0 0.00057649723 0.56242057 103595.49 -0.091474584
|
||||
130000 0.00060363901 0 0.00060357864 0.56182729 103595.49 -0.091367782
|
||||
131000 0.00060590757 0 0.00060584698 0.56115572 103595.49 -0.090594163
|
||||
132000 0.00061689139 0 0.0006168297 0.56029248 103595.49 -0.089857939
|
||||
133000 0.00063288773 0 0.00063282444 0.55971427 103595.49 -0.08954619
|
||||
134000 0.00064153654 0 0.00064147238 0.55929877 103595.49 -0.089860563
|
||||
135000 0.00065473169 0 0.00065466622 0.5590797 103595.49 -0.089932375
|
||||
136000 0.0006814182 0 0.00068135006 0.55797116 103595.49 -0.08929097
|
||||
137000 0.00068344911 0 0.00068338077 0.55796657 103595.49 -0.089644888
|
||||
138000 0.00071510067 0 0.00071502916 0.55752379 103595.49 -0.089734088
|
||||
139000 0.00074772787 0 0.0007476531 0.55740054 103595.49 -0.089968295
|
||||
140000 0.00072706311 0 0.0007269904 0.55659113 103595.49 -0.090370844
|
||||
141000 0.0007179286 0 0.00071785681 0.55659012 103595.49 -0.089976688
|
||||
142000 0.00072587657 0 0.00072580399 0.55589037 103595.49 -0.090532153
|
||||
143000 0.00074470967 0 0.0007446352 0.55553128 103595.49 -0.091019969
|
||||
144000 0.00071737422 0 0.00071730248 0.55555994 103595.49 -0.090926005
|
||||
145000 0.00070363824 0 0.00070356787 0.55548936 103595.49 -0.0912353
|
||||
146000 0.00069604487 0 0.00069597527 0.55540516 103595.49 -0.091656715
|
||||
147000 0.00070047196 0 0.00070040191 0.55466746 103595.49 -0.092101291
|
||||
148000 0.00069764904 0 0.00069757927 0.55460283 103595.49 -0.092334573
|
||||
149000 0.00068884707 0 0.00068877819 0.55462796 103595.49 -0.0928736
|
||||
150000 0.00067704593 0 0.00067697823 0.55520015 103595.49 -0.093512131
|
||||
151000 0.00067702275 0 0.00067695505 0.55530068 103595.49 -0.094127311
|
||||
152000 0.000690717 0 0.00069064792 0.55432538 103595.49 -0.094248615
|
||||
153000 0.00067758953 0 0.00067752177 0.55460446 103595.49 -0.094839924
|
||||
154000 0.00067748542 0 0.00067741767 0.55532529 103595.49 -0.095832411
|
||||
155000 0.00068723442 0 0.0006871657 0.55637763 103595.49 -0.096838207
|
||||
156000 0.00071590663 0 0.00071583504 0.5569485 103595.49 -0.097686166
|
||||
157000 0.00078378647 0 0.0007837081 0.55755381 103595.49 -0.097968527
|
||||
158000 0.00080144334 0 0.00080136319 0.55741023 103595.49 -0.098119361
|
||||
159000 0.00079183165 0 0.00079175247 0.55756142 103595.49 -0.097925888
|
||||
160000 0.00081212358 0 0.00081204237 0.55669124 103595.49 -0.098171108
|
||||
161000 0.00082903843 0 0.00082895553 0.55608918 103595.49 -0.097827206
|
||||
162000 0.00084257416 0 0.0008424899 0.5560239 103595.49 -0.096775743
|
||||
163000 0.00086279615 0 0.00086270987 0.55550215 103595.49 -0.095981927
|
||||
164000 0.00092139657 0 0.00092130443 0.55395137 103595.49 -0.095215338
|
||||
165000 0.00095519936 0 0.00095510384 0.55376787 103595.49 -0.0945666
|
||||
166000 0.00092201276 0 0.00092192056 0.55373794 103595.49 -0.093531233
|
||||
167000 0.0008525194 0 0.00085243415 0.55375862 103595.49 -0.09389901
|
||||
168000 0.00081977785 0 0.00081969587 0.5536646 103595.49 -0.093829746
|
||||
169000 0.00079692467 0 0.00079684497 0.55416599 103595.49 -0.094433271
|
||||
170000 0.00077787798 0 0.0007778002 0.55416629 103595.49 -0.095043413
|
||||
171000 0.0007651362 0 0.00076505969 0.55418872 103595.49 -0.095212376
|
||||
172000 0.00074631438 0 0.00074623975 0.55403881 103595.49 -0.095463949
|
||||
173000 0.00074431288 0 0.00074423845 0.55415801 103595.49 -0.095319615
|
||||
174000 0.00073924649 0 0.00073917257 0.55373682 103595.49 -0.094724272
|
||||
175000 0.00070973165 0 0.00070966068 0.55393569 103595.49 -0.094201112
|
||||
176000 0.00069820766 0 0.00069813784 0.55341229 103595.49 -0.093530469
|
||||
177000 0.00070922657 0 0.00070915564 0.55282781 103595.49 -0.093282587
|
||||
178000 0.00073688566 0 0.00073681197 0.55223248 103595.49 -0.092190554
|
||||
179000 0.00072455886 0 0.0007244864 0.55244288 103595.49 -0.09182393
|
||||
180000 0.00071894558 0 0.00071887369 0.55281517 103595.49 -0.092177032
|
||||
181000 0.00071752475 0 0.000717453 0.55297293 103595.49 -0.09230934
|
||||
182000 0.00072247421 0 0.00072240196 0.55287294 103595.49 -0.092465908
|
||||
183000 0.00070596821 0 0.00070589761 0.5526242 103595.49 -0.092013313
|
||||
184000 0.00072460909 0 0.00072453663 0.55230817 103595.49 -0.092211243
|
||||
185000 0.00072499917 0 0.00072492667 0.55273387 103595.49 -0.092920761
|
||||
186000 0.00072852698 0 0.00072845413 0.55358929 103595.49 -0.093428623
|
||||
187000 0.00072515668 0 0.00072508417 0.55336733 103595.49 -0.093440126
|
||||
188000 0.00071355728 0 0.00071348593 0.55408468 103595.49 -0.094819333
|
||||
189000 0.00071703212 0 0.00071696042 0.55424355 103595.49 -0.096198144
|
||||
190000 0.00071808849 0 0.00071801668 0.55504118 103595.49 -0.097199842
|
||||
191000 0.00072458142 0 0.00072450896 0.55493515 103595.49 -0.097564772
|
||||
192000 0.00071472504 0 0.00071465357 0.55572657 103595.49 -0.097663072
|
||||
193000 0.00070803966 0 0.00070796886 0.55546116 103595.49 -0.097306162
|
||||
194000 0.00068236077 0 0.00068229254 0.55581155 103595.49 -0.097141594
|
||||
195000 0.00067304613 0 0.00067297882 0.55559507 103595.49 -0.096646489
|
||||
196000 0.00066680808 0 0.0006667414 0.55512029 103595.49 -0.096241456
|
||||
197000 0.00065829161 0 0.00065822578 0.55545375 103595.49 -0.095808778
|
||||
198000 0.0006617611 0 0.00066169492 0.55551074 103595.49 -0.095423531
|
||||
199000 0.00066805655 0 0.00066798975 0.55581298 103595.49 -0.095287337
|
||||
200000 0.00067263902 0 0.00067257175 0.55601669 103595.49 -0.095551006
|
||||
Loop time of 145.127 on 4 procs for 200000 steps with 10000 atoms
|
||||
|
||||
Performance: 555175.163 tau/day, 1285.128 timesteps/s
|
||||
Performance: 595339.507 tau/day, 1378.101 timesteps/s
|
||||
100.0% CPU use with 4 MPI tasks x 1 OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 28.939 | 48.992 | 61.808 | 189.4 | 62.96
|
||||
Neigh | 0.22765 | 0.31872 | 0.38751 | 10.9 | 0.41
|
||||
Comm | 3.53 | 16.362 | 36.515 | 328.8 | 21.03
|
||||
Output | 0.0046275 | 0.0064601 | 0.008626 | 1.8 | 0.01
|
||||
Modify | 5.0862 | 8.3128 | 10.255 | 74.1 | 10.68
|
||||
Other | | 3.821 | | | 4.91
|
||||
Pair | 57.89 | 91.946 | 113.82 | 229.7 | 63.36
|
||||
Neigh | 0.34276 | 0.48607 | 0.56708 | 13.1 | 0.33
|
||||
Comm | 6.569 | 28.916 | 63.505 | 417.0 | 19.92
|
||||
Output | 0.0087178 | 0.011935 | 0.01563 | 2.3 | 0.01
|
||||
Modify | 10.432 | 16.495 | 20.378 | 97.7 | 11.37
|
||||
Other | | 7.272 | | | 5.01
|
||||
|
||||
Nlocal: 2500.00 ave 3016 max 1605 min
|
||||
Nlocal: 2500.00 ave 2990 max 1652 min
|
||||
Histogram: 1 0 0 0 0 1 0 0 0 2
|
||||
Nghost: 221.500 ave 273 max 176 min
|
||||
Histogram: 1 0 0 1 0 1 0 0 0 1
|
||||
Neighs: 8616.00 ave 10377 max 5447 min
|
||||
Nghost: 228.000 ave 254 max 198 min
|
||||
Histogram: 1 0 1 0 0 0 0 0 0 2
|
||||
Neighs: 8611.25 ave 10364 max 5676 min
|
||||
Histogram: 1 0 0 0 0 1 0 0 0 2
|
||||
|
||||
Total # of neighbors = 34464
|
||||
Ave neighs/atom = 3.4464000
|
||||
Neighbor list builds = 153
|
||||
Total # of neighbors = 34445
|
||||
Ave neighs/atom = 3.4445000
|
||||
Neighbor list builds = 241
|
||||
Dangerous builds = 0
|
||||
|
||||
Please see the log.cite file for references relevant to this simulation
|
||||
|
||||
Total wall time: 0:01:17
|
||||
Total wall time: 0:02:25
|
||||
|
||||
Reference in New Issue
Block a user