forked from lijiext/lammps
208 lines
12 KiB
Plaintext
208 lines
12 KiB
Plaintext
LAMMPS (30 Aug 2013)
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Reading data file ...
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orthogonal box = (-27.025 -16.215 -16.215) to (27.025 16.215 16.215)
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2 by 1 by 2 MPI processor grid
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1440 atoms
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1440 velocities
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Lattice spacing in x,y,z = 5.405 5.405 5.405
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1152 atoms in group internal
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288 atoms in group ghost
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ATC: constructing thermal coupling with parameter file Ar_thermal.mat
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ATC: version 2.0
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ATC: peratom PE compute created with ID: 3
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ATC: 3 materials defined from Ar_thermal.mat
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ATC: created uniform mesh with 52 nodes, 13 unique nodes, and 12 elements
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ATC: created faceset ibndy with 2 faces
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ATC: created faceset obndy with 2 faces
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Setting up run ...
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ATC: WARNING: material: [vacuum] cannot find heat_flux
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ATC: WARNING: physics model: [], material: [vacuum] does not provide all interfaces for <temperature> physics and will be treated as null
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Memory usage per processor = 50.9732 Mbytes
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Step CPU TotEng PotEng AtC[1] Temp AtC[2]
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0 0 -2573.6428 -2710.8793 412.06718 39.965279 20
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100 0.74 -2537.6764 -2606.3542 412.06718 20 20
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200 1.5 -2584.8754 -2653.5532 412.06718 20 20
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300 2.2 -2575.3126 -2643.9904 412.06718 20 20
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400 2.9 -2573.4199 -2642.0977 412.06718 20 20
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Loop time of 2.91796 on 4 procs for 400 steps with 1440 atoms
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Pair time (%) = 1.38784 (47.5619)
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Neigh time (%) = 0.581149 (19.9163)
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Comm time (%) = 0.202661 (6.94529)
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Outpt time (%) = 0.00155389 (0.0532527)
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Other time (%) = 0.74476 (25.5233)
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Nlocal: 360 ave 360 max 360 min
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Histogram: 4 0 0 0 0 0 0 0 0 0
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Nghost: 4060 ave 4060 max 4060 min
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Histogram: 4 0 0 0 0 0 0 0 0 0
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Neighs: 104865 ave 104966 max 104653 min
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Histogram: 1 0 0 0 0 0 0 1 0 2
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FullNghs: 209730 ave 209902 max 209521 min
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Histogram: 1 0 0 0 1 0 0 1 0 1
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Total # of neighbors = 838918
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Ave neighs/atom = 582.582
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Neighbor list builds = 40
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Dangerous builds = 0
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ATC: created nodeset lbc with 1 nodes
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ATC: created nodeset rbc with 1 nodes
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Setting up run ...
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ATC: WARNING: material: [vacuum] cannot find heat_flux
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ATC: WARNING: physics model: [], material: [vacuum] does not provide all interfaces for <temperature> physics and will be treated as null
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Memory usage per processor = 55.72 Mbytes
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Step CPU TotEng PotEng AtC[1] Temp AtC[2]
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400 0 -2573.4199 -2642.0977 412.06718 20 20
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500 0.85 -2573.5342 -2643.6832 433.11971 20.428433 21.712432
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Loop time of 0.849101 on 4 procs for 100 steps with 1440 atoms
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Pair time (%) = 0.346186 (40.7709)
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Neigh time (%) = 0.145595 (17.147)
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Comm time (%) = 0.0481115 (5.66617)
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Outpt time (%) = 0.00038749 (0.0456353)
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Other time (%) = 0.30882 (36.3703)
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Nlocal: 360 ave 360 max 360 min
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Histogram: 4 0 0 0 0 0 0 0 0 0
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Nghost: 4060 ave 4060 max 4060 min
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Histogram: 4 0 0 0 0 0 0 0 0 0
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Neighs: 104761 ave 105083 max 104555 min
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Histogram: 2 0 0 0 1 0 0 0 0 1
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FullNghs: 209522 ave 209825 max 209317 min
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Histogram: 1 0 1 1 0 0 0 0 0 1
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Total # of neighbors = 838088
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Ave neighs/atom = 582.006
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Neighbor list builds = 10
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Dangerous builds = 0
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ATC: Warning : text output can create _LARGE_ files
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ATC: output custom names:
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Setting up run ...
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ATC: WARNING: material: [vacuum] cannot find heat_flux
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ATC: WARNING: physics model: [], material: [vacuum] does not provide all interfaces for <temperature> physics and will be treated as null
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Memory usage per processor = 55.72 Mbytes
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Step CPU TotEng PotEng AtC[1] Temp AtC[2]
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0 0 -2573.5342 -2643.6832 433.11971 20.428433 21.712432
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100 0.85 -2573.5097 -2644.702 436.57572 20.732249 21.867268
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200 1.7 -2573.5112 -2641.7502 439.66841 19.872211 22.005828
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300 2.6 -2573.3491 -2646.3078 442.69161 21.246649 22.141274
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400 3.4 -2573.2822 -2641.2514 445.36751 19.793633 22.261161
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500 4.3 -2572.8845 -2643.9862 447.90976 20.705853 22.375059
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600 5.1 -2572.6755 -2641.3224 450.33699 19.990965 22.483804
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700 6 -2572.2821 -2642.5297 452.633 20.457107 22.586671
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800 6.8 -2571.8547 -2641.9891 454.79418 20.424169 22.683497
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900 7.7 -2571.4933 -2642.7882 456.85387 20.762116 22.775775
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1000 8.5 -2571.0496 -2643.7527 458.82574 21.172182 22.86412
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1100 9.3 -2570.5809 -2641.69 460.75038 20.708018 22.950348
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1200 10 -2570.1887 -2641.7751 462.58586 20.847009 23.032581
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1300 11 -2569.6728 -2640.1746 464.33069 20.531153 23.110754
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1400 12 -2569.1102 -2641.2988 465.97998 21.022351 23.184646
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1500 13 -2568.6933 -2641.6758 467.72853 21.25356 23.262985
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1600 14 -2568.3126 -2639.4799 469.33389 20.724972 23.334908
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1700 15 -2567.8917 -2641.4173 470.85034 21.411743 23.402849
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1800 15 -2567.416 -2642.3747 472.3574 21.829085 23.470369
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1900 16 -2567.0152 -2640.9335 473.92673 21.526078 23.540678
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2000 17 -2566.5969 -2640.5435 475.40816 21.534312 23.607049
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2100 18 -2566.1052 -2638.4679 476.80477 21.073068 23.66962
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2200 19 -2565.5495 -2641.5032 478.14213 22.118844 23.729537
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2300 20 -2565.1398 -2639.5956 479.53019 21.682594 23.791726
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2400 20 -2564.732 -2637.9249 480.87877 21.314827 23.852145
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2500 21 -2564.3944 -2638.6441 482.2304 21.622593 23.912701
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2600 22 -2563.8222 -2641.7424 483.47432 22.691525 23.968431
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2700 23 -2563.3329 -2639.2173 484.77559 22.098628 24.026731
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2800 24 -2562.8806 -2636.6059 486.01573 21.469866 24.082292
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2900 25 -2562.3465 -2638.8817 487.25366 22.288159 24.137755
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3000 26 -2561.8757 -2635.0869 488.43148 21.320176 24.190523
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3100 26 -2561.4471 -2635.1227 489.60154 21.455403 24.242945
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3200 27 -2561.0263 -2636.215 490.82935 21.896066 24.297953
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3300 28 -2560.5777 -2639.0266 491.97068 22.845446 24.349088
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3400 29 -2560.0712 -2638.4176 493.06997 22.815602 24.398338
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3500 30 -2559.6348 -2634.4135 494.16582 21.776629 24.447435
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3600 31 -2559.1842 -2635.4811 495.30605 22.218778 24.49852
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3700 32 -2558.7086 -2636.2754 496.34541 22.588602 24.545086
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3800 33 -2558.2562 -2636.6903 497.40496 22.841163 24.592556
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3900 33 -2557.9356 -2635.0878 498.49911 22.467843 24.641576
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4000 34 -2557.6063 -2635.2544 499.51434 22.612267 24.687061
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4100 35 -2557.2943 -2635.0249 500.49246 22.636293 24.730882
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4200 36 -2556.9353 -2635.4961 501.50868 22.878043 24.776412
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4300 37 -2556.6277 -2635.8313 502.53051 23.065232 24.822192
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4400 38 -2556.3739 -2632.5904 503.57744 22.195375 24.869096
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4500 39 -2556.0212 -2633.6191 504.49147 22.59766 24.910047
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4600 39 -2555.6736 -2637.0356 505.44829 23.693808 24.952915
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4700 40 -2555.3469 -2635.8282 506.40204 23.437311 24.995645
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4800 41 -2555.0683 -2637.0806 507.39281 23.883194 25.040034
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4900 42 -2554.6933 -2634.0013 508.23979 23.095678 25.07798
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5000 43 -2554.4138 -2634.5914 509.20047 23.34888 25.121021
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5100 44 -2554.0316 -2631.8029 510.10292 22.648143 25.161453
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5200 44 -2553.7548 -2635.4247 511.03731 23.783481 25.203316
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5300 45 -2553.3812 -2634.282 511.87478 23.559504 25.240836
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5400 46 -2553.0678 -2632.9241 512.77374 23.255322 25.281111
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5500 47 -2552.7082 -2634.3549 513.6816 23.776717 25.321786
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5600 48 -2552.3171 -2634.1375 514.44071 23.827315 25.355796
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5700 49 -2551.9607 -2631.5049 515.35773 23.164428 25.39688
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5800 50 -2551.496 -2633.1155 516.19921 23.768789 25.43458
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5900 50 -2551.2035 -2632.1116 517.07471 23.561628 25.473805
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6000 51 -2550.7722 -2637.2148 517.87274 25.173338 25.509558
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6100 52 -2550.3729 -2635.223 518.677 24.709601 25.545591
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6200 53 -2550.0239 -2633.7077 519.50465 24.369948 25.582672
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6300 54 -2549.7022 -2634.9153 520.32051 24.815296 25.619224
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6400 55 -2549.2302 -2630.2767 521.18099 23.601923 25.657775
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6500 56 -2548.7701 -2632.1853 521.991 24.291732 25.694065
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6600 57 -2548.3382 -2629.8213 522.69988 23.729068 25.725825
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6700 57 -2547.9544 -2634.3457 523.47285 25.158407 25.760456
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6800 58 -2547.6099 -2632.3242 524.24129 24.670057 25.794884
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6900 59 -2547.3857 -2630.1042 524.9806 24.088828 25.828006
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7000 60 -2547.1211 -2631.9693 525.7776 24.70903 25.863714
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7100 61 -2546.7539 -2631.6181 526.45984 24.713697 25.89428
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7200 62 -2546.4777 -2629.7492 527.21059 24.249884 25.927915
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7300 62 -2546.2406 -2629.7818 528.01912 24.32843 25.964139
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7400 63 -2545.9694 -2632.4927 528.64586 25.196846 25.992218
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7500 64 -2545.8619 -2630.0613 529.38653 24.520088 26.025402
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7600 65 -2545.7138 -2632.8388 530.16874 25.372085 26.060447
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7700 66 -2545.4529 -2628.921 530.86231 24.307131 26.09152
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7800 67 -2545.166 -2629.3814 531.58154 24.524736 26.123743
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7900 68 -2544.8001 -2625.4882 532.26268 23.497557 26.15426
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8000 69 -2544.4118 -2628.3746 532.9236 24.451192 26.183871
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8100 69 -2544.1166 -2629.2914 533.60356 24.804137 26.214334
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8200 70 -2543.7942 -2627.1091 534.28788 24.262513 26.244994
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8300 71 -2543.4804 -2630.0029 534.94382 25.196642 26.274381
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8400 72 -2543.104 -2632.0263 535.55146 25.895456 26.301605
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8500 73 -2542.7117 -2627.3589 536.21003 24.650511 26.33111
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8600 74 -2542.3628 -2627.7464 536.92095 24.86496 26.362961
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8700 74 -2542.0845 -2628.3592 537.58922 25.124445 26.392901
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8800 75 -2541.7327 -2628.2907 538.11331 25.206956 26.416381
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8900 76 -2541.5205 -2628.8127 538.78583 25.420763 26.446512
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9000 77 -2541.4308 -2628.532 539.48656 25.36513 26.477906
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9100 78 -2541.3427 -2624.8856 540.08761 24.328917 26.504834
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9200 79 -2541.2405 -2626.8739 540.65481 24.937701 26.530246
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9300 80 -2541.1638 -2628.2134 541.35281 25.350118 26.561518
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9400 80 -2541.0394 -2629.2501 541.97029 25.688239 26.589183
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9500 81 -2540.8064 -2629.0064 542.46763 25.685128 26.611465
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9600 82 -2540.6384 -2628.7742 543.13578 25.666436 26.641399
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9700 83 -2540.3957 -2628.1981 543.7668 25.56933 26.669671
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9800 84 -2540.1324 -2627.8582 544.32985 25.547048 26.694896
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9900 85 -2539.8497 -2629.5669 544.90695 26.12696 26.720752
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10000 86 -2539.5955 -2628.0303 545.50615 25.753491 26.747597
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Loop time of 85.5283 on 4 procs for 10000 steps with 1440 atoms
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Pair time (%) = 34.6834 (40.552)
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Neigh time (%) = 14.742 (17.2363)
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Comm time (%) = 5.12527 (5.99249)
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Outpt time (%) = 0.0699501 (0.0817859)
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Other time (%) = 30.9077 (36.1374)
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Nlocal: 360 ave 360 max 360 min
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Histogram: 4 0 0 0 0 0 0 0 0 0
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Nghost: 4060 ave 4060 max 4060 min
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Histogram: 4 0 0 0 0 0 0 0 0 0
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Neighs: 104778 ave 104928 max 104669 min
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Histogram: 1 1 0 0 0 1 0 0 0 1
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FullNghs: 209556 ave 210121 max 208975 min
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Histogram: 1 1 0 0 0 0 0 0 0 2
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Total # of neighbors = 838224
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Ave neighs/atom = 582.1
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Neighbor list builds = 1000
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Dangerous builds = 0
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