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lammps/examples/ASPHERE/line/log.line.10Sep13
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LAMMPS (9 Sep 2013)
# Aspherical shear demo - 2d line box and triangle mixture, implicit solvent
units lj
atom_style line
dimension 2
read_data data.line
orthogonal box = (-22.5539 -22.5539 -0.5) to (22.5539 22.5539 0.5)
4 by 2 by 1 MPI processor grid
350 atoms
350 lines
velocity all create 1.44 320984 loop geom
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
neigh_modify exclude molecule all
pair_style line/lj 2.5
pair_coeff * * 1.0 0.25
fix 2 all rigid molecule langevin 2.0 2.0 1.0 492983
100 rigid bodies with 350 atoms
fix 3 all deform 1 x scale 0.3 y scale 0.3
fix 4 all enforce2d
compute 10 all property/atom end1x end1y end2x end2y
#dump 1 all custom 500 dump1.atom id type x y z ix iy iz
#dump 2 all custom 500 dump1.line id type # c_10[1] c_10[2] c_10[3] c_10[4]
timestep 0.004
compute 1 all erotate/asphere
compute 2 all ke
compute 3 all pe
variable toteng equal (c_1+c_2+c_3)/atoms
thermo 1000
thermo_style custom step temp f_2 pe ke c_1 c_2 c_3 v_toteng
run 10000
Memory usage per processor = 2.61117 Mbytes
Step Temp 2 PotEng KinEng 1 2 3 toteng
0 0 1.2780105 0 -0 0.037823677 0.50989511 0 0.54771879
1000 0 1.9896906 -0.13333755 -0 0.12630626 0.72641826 -0.13333755 0.71938697
2000 0 2.0629882 -0.27908342 -0 0.13861003 0.74552776 -0.27908342 0.60505437
3000 0 1.8455537 -0.39250848 -0 0.095169207 0.69578236 -0.39250848 0.39844309
4000 0 2.2658635 -0.55161143 -0 0.12832995 0.84275439 -0.55161143 0.41947292
5000 0 1.9816994 -0.51390753 -0 0.14128637 0.70801336 -0.51390753 0.3353922
6000 0 2.1402765 -0.68818261 -0 0.13705699 0.78020438 -0.68818261 0.22907875
7000 0 1.8879036 -0.69389883 -0 0.11522773 0.69387383 -0.69389883 0.11520273
8000 0 1.9256694 -1.0046071 -0 0.095344199 0.7299427 -1.0046071 -0.17932023
9000 0 2.4839132 -1.38036 -0 0.11921387 0.94532035 -1.38036 -0.31582573
10000 0 4.1795315 -2.4568772 -0 0.22554354 1.5656842 -2.4568772 -0.66564943
Loop time of 2.85775 on 8 procs for 10000 steps with 350 atoms
Pair time (%) = 1.30584 (45.6948)
Neigh time (%) = 0.0195708 (0.684831)
Comm time (%) = 0.739841 (25.8889)
Outpt time (%) = 0.000323623 (0.0113244)
Other time (%) = 0.792173 (27.7202)
Nlocal: 43.75 ave 53 max 33 min
Histogram: 1 1 0 0 1 1 1 1 0 2
Nghost: 167.625 ave 175 max 162 min
Histogram: 2 0 1 1 0 1 2 0 0 1
Neighs: 965.5 ave 1275 max 592 min
Histogram: 1 1 0 0 2 1 1 0 0 2
Total # of neighbors = 7724
Ave neighs/atom = 22.0686
Neighbor list builds = 992
Dangerous builds = 0
#undump 1
#undump 2
unfix 3
change_box all triclinic
triclinic box = (-6.76616 -6.76616 -0.5) to (6.76616 6.76616 0.5) with tilt (0 0 0)
#dump 1 all custom 500 dump2.atom id type x y z ix iy iz
#dump 2 all custom 500 dump2.line id type # c_10[1] c_10[2] c_10[3] c_10[4]
fix 3 all deform 1 xy erate 0.01 units box
run 100000
Memory usage per processor = 2.76376 Mbytes
Step Temp 2 PotEng KinEng 1 2 3 toteng
10000 0 4.1795315 -2.4550634 -0 0.22554354 1.5656842 -2.4550634 -0.66383559
11000 0 2.2075241 -2.8809797 -0 0.11091434 0.83516742 -2.8809797 -1.9348979
12000 0 1.9493319 -2.9401168 -0 0.12004101 0.71538694 -2.9401168 -2.1046889
13000 0 2.0703379 -2.9231023 -0 0.11264143 0.77464626 -2.9231023 -2.0358146
14000 0 2.285829 -3.0018463 -0 0.11344069 0.86620033 -3.0018463 -2.0222053
15000 0 2.2146248 -3.0779088 -0 0.10247134 0.84665359 -3.0779088 -2.1287838
16000 0 2.0374319 -3.096595 -0 0.12766202 0.74552307 -3.096595 -2.22341
17000 0 2.0424578 -2.9546375 -0 0.11887099 0.75646806 -2.9546375 -2.0792985
18000 0 2.0215091 -3.0832641 -0 0.14094822 0.7254128 -3.0832641 -2.2169031
19000 0 1.912014 -3.0907982 -0 0.11885677 0.70057781 -3.0907982 -2.2713637
20000 0 1.8485186 -3.1577807 -0 0.12433421 0.66788805 -3.1577807 -2.3655584
21000 0 2.232987 -3.0999629 -0 0.13015187 0.82684257 -3.0999629 -2.1429685
22000 0 1.9361293 -3.1342121 -0 0.1008643 0.72890539 -3.1342121 -2.3044424
23000 0 1.9060768 -3.0615084 -0 0.12228484 0.69460521 -3.0615084 -2.2446183
24000 0 1.9448392 -2.9606016 -0 0.14159101 0.69191153 -2.9606016 -2.1270991
25000 0 2.1660504 -3.2140907 -0 0.14303978 0.78526755 -3.2140907 -2.2857834
26000 0 1.8371913 -3.163434 -0 0.11009287 0.67727482 -3.163434 -2.3760663
27000 0 1.9273228 -2.9848424 -0 0.12756607 0.69842941 -2.9848424 -2.1588469
28000 0 2.070142 -3.0586453 -0 0.12517659 0.76202715 -3.0586453 -2.1714416
29000 0 2.0243688 -3.1272461 -0 0.089806967 0.77777967 -3.1272461 -2.2596594
30000 0 1.9818593 -3.0256998 -0 0.098952992 0.75041526 -3.0256998 -2.1763315
31000 0 1.7592998 -2.8404359 -0 0.11049582 0.6434898 -2.8404359 -2.0864503
32000 0 1.7487766 -2.9541667 -0 0.085982813 0.66349286 -2.9541667 -2.204691
33000 0 2.0423965 -3.2877576 -0 0.10594085 0.76937192 -3.2877576 -2.4124448
34000 0 2.0202408 -3.0287779 -0 0.13143335 0.73438411 -3.0287779 -2.1629605
35000 0 1.7258733 -3.0829339 -0 0.12308672 0.61657327 -3.0829339 -2.3432739
36000 0 1.946379 -3.1187644 -0 0.10475251 0.72940991 -3.1187644 -2.284602
37000 0 1.9226333 -3.1365556 -0 0.098688654 0.72529703 -3.1365556 -2.31257
38000 0 2.1381223 -3.2215646 -0 0.13208996 0.78424817 -3.2215646 -2.3052264
39000 0 1.9137815 -3.1350245 -0 0.096927831 0.72326422 -3.1350245 -2.3148325
40000 0 2.1566984 -3.1399426 -0 0.10589176 0.81840754 -3.1399426 -2.2156433
41000 0 2.2029223 -3.0800547 -0 0.12720677 0.81690279 -3.0800547 -2.1359451
42000 0 2.068079 -2.9537318 -0 0.13880404 0.74751552 -2.9537318 -2.0674122
43000 0 1.8772167 -3.1130957 -0 0.1156193 0.68890213 -3.1130957 -2.3085743
44000 0 1.8407682 -3.1109228 -0 0.097771189 0.69112948 -3.1109228 -2.3220221
45000 0 2.0494905 -2.9840347 -0 0.095646467 0.7827066 -2.9840347 -2.1056816
46000 0 2.2163122 -3.0658704 -0 0.12439358 0.82545449 -3.0658704 -2.1160223
47000 0 1.8286658 -3.001659 -0 0.097764124 0.68594977 -3.001659 -2.2179451
48000 0 1.7861007 -3.157209 -0 0.10806961 0.65740211 -3.157209 -2.3917372
49000 0 2.3424171 -2.9952429 -0 0.12941481 0.87447821 -2.9952429 -1.9913498
50000 0 2.0099179 -3.060017 -0 0.15393981 0.70745358 -3.060017 -2.1986236
51000 0 1.8690805 -3.021086 -0 0.11192641 0.68910809 -3.021086 -2.2200515
52000 0 2.0469976 -2.9563496 -0 0.13048197 0.74680271 -2.9563496 -2.0790649
53000 0 2.2401038 -3.0559983 -0 0.10819387 0.8518506 -3.0559983 -2.0959539
54000 0 1.8437777 -3.0802175 -0 0.13108587 0.65910459 -3.0802175 -2.290027
55000 0 2.2485612 -2.9437394 -0 0.12178099 0.84188811 -2.9437394 -1.9800703
56000 0 1.8222318 -3.0527441 -0 0.10915422 0.67180228 -3.0527441 -2.2717876
57000 0 2.1561793 -3.0003336 -0 0.10358587 0.82049098 -3.0003336 -2.0762567
58000 0 1.9379866 -3.1325759 -0 0.10665534 0.72391033 -3.1325759 -2.3020102
59000 0 2.16112 -3.196156 -0 0.11290132 0.81329295 -3.196156 -2.2699617
60000 0 1.8508831 -3.151339 -0 0.12640027 0.66683535 -3.151339 -2.3581033
61000 0 1.7351238 -2.9958379 -0 0.12838235 0.61524213 -2.9958379 -2.2522134
62000 0 1.8305334 -3.0374639 -0 0.10383968 0.68067464 -3.0374639 -2.2529496
63000 0 2.2367673 -3.1417012 -0 0.11585772 0.84275684 -3.1417012 -2.1830867
64000 0 2.2873947 -3.1657854 -0 0.1084843 0.87182771 -3.1657854 -2.1854734
65000 0 1.7673149 -3.081123 -0 0.079270339 0.67815032 -3.081123 -2.3237023
66000 0 2.1472736 -3.1099038 -0 0.12173859 0.79852151 -3.1099038 -2.1896437
67000 0 2.1833073 -3.013818 -0 0.1400615 0.79564164 -3.013818 -2.0781148
68000 0 1.9938003 -2.9343398 -0 0.12629592 0.72818991 -2.9343398 -2.079854
69000 0 2.2555939 -3.0503506 -0 0.11758718 0.84909591 -3.0503506 -2.0836675
70000 0 2.0388319 -2.9950566 -0 0.12363629 0.75014881 -2.9950566 -2.1212715
71000 0 1.8141136 -3.0258311 -0 0.098652611 0.67882464 -3.0258311 -2.2483539
72000 0 1.7151026 -3.0919257 -0 0.1283392 0.60670477 -3.0919257 -2.3568818
73000 0 2.1281558 -3.0969594 -0 0.097397121 0.81466967 -3.0969594 -2.1848927
74000 0 2.0550249 -3.0026527 -0 0.11303307 0.76769187 -3.0026527 -2.1219278
75000 0 1.8216777 -3.0492532 -0 0.10032974 0.68038929 -3.0492532 -2.2685342
76000 0 1.8821412 -3.1526568 -0 0.083229424 0.72340253 -3.1526568 -2.3460248
77000 0 1.816501 -3.0123759 -0 0.084071855 0.69442857 -3.0123759 -2.2338754
78000 0 1.7189542 -3.0214267 -0 0.11177435 0.62492029 -3.0214267 -2.2847321
79000 0 1.8539705 -3.0793108 -0 0.10505287 0.6895059 -3.0793108 -2.2847521
80000 0 2.2035184 -3.0527525 -0 0.12363997 0.82072506 -3.0527525 -2.1083875
81000 0 1.945693 -3.1132684 -0 0.14600054 0.6878679 -3.1132684 -2.2794
82000 0 1.795735 -3.0215328 -0 0.10068289 0.66891783 -3.0215328 -2.2519321
83000 0 1.9294772 -3.0559732 -0 0.12323701 0.70368177 -3.0559732 -2.2290544
84000 0 2.2371492 -3.1892042 -0 0.10837675 0.85040147 -3.1892042 -2.2304259
85000 0 1.8693537 -3.0154518 -0 0.10974173 0.69140987 -3.0154518 -2.2143002
86000 0 2.3336261 -3.0447602 -0 0.10374482 0.89638064 -3.0447602 -2.0446348
87000 0 2.0247453 -3.0739114 -0 0.095792545 0.77195542 -3.0739114 -2.2061634
88000 0 2.1841153 -3.0828606 -0 0.14190252 0.79414689 -3.0828606 -2.1468112
89000 0 1.8889123 -2.9751344 -0 0.1168507 0.69268316 -2.9751344 -2.1656006
90000 0 1.832885 -3.1223356 -0 0.086530724 0.69899142 -3.1223356 -2.3368134
91000 0 1.8171024 -2.9626386 -0 0.10382306 0.67493513 -2.9626386 -2.1838804
92000 0 2.1122077 -3.0302831 -0 0.12723447 0.77799742 -3.0302831 -2.1250513
93000 0 1.9057839 -3.1117399 -0 0.10937947 0.70738507 -3.1117399 -2.2949754
94000 0 1.9659464 -3.050968 -0 0.13636362 0.70618482 -3.050968 -2.2084195
95000 0 1.9002035 -3.0047996 -0 0.11999382 0.69437911 -3.0047996 -2.1904267
96000 0 1.9199317 -3.0139017 -0 0.11720599 0.70562186 -3.0139017 -2.1910738
97000 0 2.0101513 -3.1367555 -0 0.12168713 0.73980628 -3.1367555 -2.2752621
98000 0 1.934934 -3.1588351 -0 0.09924111 0.73001632 -3.1588351 -2.3295776
99000 0 2.0565056 -3.1074572 -0 0.11648468 0.76487486 -3.1074572 -2.2260976
100000 0 2.0859924 -2.9894335 -0 0.11944949 0.77454725 -2.9894335 -2.0954368
101000 0 2.0981715 -2.9580479 -0 0.11642673 0.78278961 -2.9580479 -2.0588316
102000 0 1.92629 -2.9768477 -0 0.1342305 0.69132234 -2.9768477 -2.1512949
103000 0 2.1248123 -3.0934115 -0 0.13641745 0.77421638 -3.0934115 -2.1827777
104000 0 2.069635 -3.0085236 -0 0.13547005 0.75151637 -3.0085236 -2.1215372
105000 0 2.0300214 -3.0194685 -0 0.13103387 0.73897532 -3.0194685 -2.1494593
106000 0 1.8606229 -3.0215675 -0 0.1058931 0.69151671 -3.0215675 -2.2241577
107000 0 1.9293829 -3.1824818 -0 0.11199032 0.71488809 -3.1824818 -2.3556034
108000 0 2.0917984 -3.0608178 -0 0.12926976 0.76721526 -3.0608178 -2.1643328
109000 0 2.0073129 -3.0654045 -0 0.15651693 0.70376004 -3.0654045 -2.2051275
110000 0 1.889167 -3.1951234 -0 0.13292304 0.67671996 -3.1951234 -2.3854804
Loop time of 64.5556 on 8 procs for 100000 steps with 350 atoms
Pair time (%) = 45.1763 (69.9804)
Neigh time (%) = 0.415894 (0.644241)
Comm time (%) = 10.6023 (16.4235)
Outpt time (%) = 0.00327063 (0.00506637)
Other time (%) = 8.3579 (12.9468)
Nlocal: 43.75 ave 49 max 37 min
Histogram: 1 1 1 0 0 1 0 1 1 2
Nghost: 172.25 ave 183 max 165 min
Histogram: 1 1 2 1 0 1 1 0 0 1
Neighs: 957 ave 1157 max 751 min
Histogram: 1 1 1 1 0 0 1 1 0 2
Total # of neighbors = 7656
Ave neighs/atom = 21.8743
Neighbor list builds = 7561
Dangerous builds = 0
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