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lammps/examples/USER/atc/thermal/bar1d_frac_step.screen
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LAMMPS (24 Aug 2013)
Reading data file ...
orthogonal box = (-27.025 -16.215 -16.215) to (27.025 16.215 16.215)
2 by 1 by 2 MPI processor grid
1440 atoms
1440 velocities
Lattice spacing in x,y,z = 5.405 5.405 5.405
1152 atoms in group internal
288 atoms in group ghost
ATC: constructing thermal coupling with parameter file Ar_thermal.mat
ATC: version 2.0
ATC: peratom PE compute created with ID: 3
ATC: 3 materials defined from Ar_thermal.mat
ATC: created uniform mesh with 20 nodes, 5 unique nodes, and 4 elements
ATC: created nodeset lbc with 1 nodes
ATC: created nodeset rbc with 1 nodes
Setting up run ...
ATC: WARNING: material: [vacuum] cannot find heat_flux
ATC: WARNING: physics model: [], material: [vacuum] does not provide all interfaces for <temperature> physics and will be treated as null
Memory usage per processor = 19.8816 Mbytes
Step CPU TotEng PotEng AtC[1] Temp AtC[2]
0 0 -2573.6428 -2710.8793 154.52519 39.965279 24
100 1.9 -2518.1866 -2595.4493 154.52519 22.500023 24
200 3 -2568.5847 -2645.8474 154.52519 22.500023 24
300 3.9 -2559.7999 -2637.0626 154.52519 22.500023 24
400 4.5 -2558.3822 -2635.6449 154.52519 22.500023 24
Loop time of 4.51728 on 4 procs for 400 steps with 1440 atoms
Pair time (%) = 1.57556 (34.8784)
Neigh time (%) = 0.622924 (13.7898)
Comm time (%) = 1.49793 (33.1599)
Outpt time (%) = 0.000779629 (0.0172588)
Other time (%) = 0.820097 (18.1546)
Nlocal: 360 ave 360 max 360 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost: 4060 ave 4060 max 4060 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs: 104925 ave 105233 max 104576 min
Histogram: 1 0 0 1 0 0 0 1 0 1
FullNghs: 209850 ave 210159 max 209488 min
Histogram: 1 0 0 0 0 1 1 0 0 1
Total # of neighbors = 839402
Ave neighs/atom = 582.918
Neighbor list builds = 40
Dangerous builds = 0
ATC: Warning : text output can create _LARGE_ files
ATC: output custom names:
Setting up run ...
ATC: WARNING: material: [vacuum] cannot find heat_flux
ATC: WARNING: physics model: [], material: [vacuum] does not provide all interfaces for <temperature> physics and will be treated as null
Memory usage per processor = 26.532 Mbytes
Step CPU TotEng PotEng AtC[1] Temp AtC[2]
0 0 -2558.3822 -2635.6449 154.52519 22.500023 24
100 0.67 -2552.5043 -2632.8749 156.62853 23.405103 24.24501
200 1.3 -2549.8719 -2634.1326 158.91067 24.537953 24.510846
300 2 -2545.083 -2628.7145 161.33532 24.354702 24.793283
400 2.7 -2542.0333 -2630.2815 165.63086 25.699172 25.293653
500 3.3 -2539.6855 -2626.4322 168.67671 25.261904 25.648452
600 4 -2537.684 -2628.9976 171.74862 26.591857 26.006286
700 4.7 -2534.3129 -2623.8423 174.55244 26.072259 26.332891
800 5.3 -2533.4405 -2621.8368 176.45846 25.742306 26.554915
900 6 -2534.1228 -2623.6956 178.22609 26.084904 26.760819
1000 6.6 -2531.8714 -2622.5054 179.14012 26.393948 26.867291
1100 7.3 -2532.8133 -2624.0546 180.82964 26.57081 27.064097
1200 8 -2529.4099 -2622.3883 182.33958 27.076676 27.239983
1300 8.6 -2530.8526 -2622.632 183.69362 26.727531 27.39771
1400 9.3 -2524.224 -2618.001 185.22706 27.309211 27.576333
1500 9.9 -2528.5455 -2625.7848 186.81972 28.317519 27.761855
1600 11 -2525.517 -2623.0676 188.31399 28.408145 27.935918
1700 11 -2525.1661 -2618.5626 188.27434 27.198421 27.931299
1800 12 -2524.8789 -2622.1289 189.17398 28.320604 28.036093
1900 14 -2521.3182 -2616.9976 189.99006 27.863221 28.131155
2000 14 -2524.9482 -2622.0399 191.26094 28.274519 28.279195
2100 15 -2519.3593 -2615.432 192.0516 27.977779 28.371295
2200 16 -2520.8632 -2618.5921 192.79971 28.460108 28.45844
2300 17 -2517.3073 -2615.3736 193.39264 28.55832 28.527508
2400 18 -2520.0587 -2618.6888 194.56198 28.722533 28.66372
2500 18 -2523.7628 -2620.4444 193.95494 28.155125 28.593008
2600 19 -2520.3049 -2616.8463 193.8447 28.114265 28.580167
2700 20 -2518.6173 -2617.33 194.44248 28.746593 28.649799
2800 20 -2519.9088 -2619.7533 195.22023 29.076198 28.740396
2900 21 -2518.2877 -2617.8408 195.71077 28.991324 28.797537
3000 22 -2519.7894 -2619.1288 196.33228 28.929071 28.869935
3100 22 -2517.6906 -2618.7609 196.62015 29.433147 28.903467
3200 23 -2520.7444 -2617.9402 196.13681 28.304817 28.847164
3300 23 -2519.6307 -2615.5967 196.07965 27.946722 28.840507
3400 24 -2518.1719 -2616.9329 196.66214 28.76065 28.908359
3500 25 -2518.6985 -2616.6925 196.59502 28.537311 28.90054
3600 26 -2519.0042 -2618.7537 197.35088 29.048524 28.988587
3700 26 -2518.3943 -2616.1502 196.85544 28.467961 28.930875
3800 27 -2514.9161 -2613.9237 197.35119 28.832463 28.988623
3900 27 -2518.3393 -2617.5157 197.36535 28.881624 28.990272
4000 28 -2519.4322 -2618.5633 196.14318 28.868422 28.847906
4100 29 -2519.058 -2616.3128 196.64923 28.322019 28.906854
4200 29 -2518.7765 -2621.3015 197.08878 29.856777 28.958056
4300 30 -2518.2567 -2618.9544 197.14618 29.324669 28.964742
4400 31 -2514.8229 -2610.4412 198.37372 27.845463 29.107733
4500 31 -2518.6999 -2621.3277 199.20162 29.886727 29.204172
4600 32 -2517.9045 -2615.9276 198.4982 28.545758 29.122233
4700 33 -2516.7228 -2615.8136 198.68483 28.856684 29.143974
4800 34 -2520.2107 -2619.749 198.0603 28.986989 29.071224
4900 35 -2517.4831 -2618.4664 198.0633 29.407828 29.071574
5000 36 -2518.3202 -2618.3372 198.00689 29.126411 29.065003
5100 37 -2517.7374 -2615.8784 198.14951 28.580106 29.081616
5200 37 -2519.2208 -2617.7451 197.42033 28.691739 28.996677
5300 38 -2517.6707 -2617.7618 197.94662 29.147992 29.057983
5400 39 -2516.8563 -2616.1453 196.81438 28.914436 28.926093
5500 39 -2518.1049 -2615.5854 196.97376 28.387729 28.944658
5600 40 -2519.4547 -2617.9107 196.82232 28.67181 28.927017
5700 41 -2515.4908 -2614.9193 198.10022 28.955028 29.075874
5800 41 -2517.5156 -2614.7566 199.09678 28.317986 29.19196
5900 42 -2514.4073 -2611.889 199.59808 28.38812 29.250354
6000 43 -2515.9884 -2617.0167 199.84825 29.420913 29.279495
6100 43 -2519.0803 -2616.8917 198.58963 28.484096 29.132884
6200 44 -2520.7756 -2615.8458 196.59931 27.685828 28.90104
6300 44 -2523.3359 -2619.8562 195.68645 28.108116 28.794704
6400 45 -2520.2637 -2618.5459 195.57653 28.621217 28.7819
6500 46 -2517.5582 -2617.516 196.18102 29.109158 28.852314
6600 46 -2517.2535 -2616.6764 196.40618 28.953418 28.878542
6700 47 -2519.3703 -2618.718 197.16334 28.931504 28.966741
6800 48 -2518.4833 -2615.1878 197.01299 28.161747 28.949228
6900 48 -2520.6821 -2618.6087 196.52515 28.517655 28.892402
7000 49 -2520.5353 -2616.7065 195.86855 28.006459 28.815917
7100 50 -2517.9476 -2620.0888 195.84161 29.745001 28.812778
7200 50 -2520.3188 -2619.9923 196.29834 29.026379 28.865981
7300 51 -2520.019 -2617.5856 196.51155 28.412825 28.890817
7400 52 -2517.3548 -2615.9011 196.63984 28.698129 28.905761
7500 52 -2519.1854 -2614.7882 197.14349 27.84093 28.964429
7600 53 -2520.2412 -2618.2459 196.4216 28.540386 28.880339
7700 54 -2519.5564 -2619.0182 196.41019 28.964734 28.87901
7800 55 -2515.8187 -2614.3055 196.96013 28.680787 28.94307
7900 56 -2517.7437 -2618.3389 197.99869 29.294776 29.064048
8000 57 -2516.1958 -2615.3797 198.1845 28.883784 29.085692
8100 58 -2512.7208 -2611.2195 199.13814 28.684256 29.196778
8200 58 -2512.9493 -2612.2569 199.29238 28.91983 29.214744
8300 59 -2513.7878 -2615.9616 199.93983 29.754506 29.290163
8400 60 -2513.8883 -2612.4143 200.2124 28.692219 29.321914
8500 60 -2513.5448 -2613.6577 201.25162 29.154345 29.442968
8600 61 -2514.0373 -2615.8877 201.30457 29.660325 29.449136
8700 62 -2516.4725 -2617.5851 202.01401 29.445459 29.531776
8800 62 -2512.447 -2613.6919 202.6094 29.483999 29.601131
8900 63 -2511.2282 -2614.8801 203.35526 30.18495 29.688013
9000 64 -2513.6189 -2614.7829 203.42457 29.460443 29.696086
9100 64 -2516.2403 -2616.7038 203.00618 29.256458 29.647349
9200 65 -2513.5758 -2614.8621 202.67684 29.496061 29.608986
9300 65 -2511.9519 -2611.571 202.93946 29.010549 29.639577
9400 66 -2512.0828 -2613.4151 202.91769 29.509457 29.637042
9500 67 -2513.3277 -2613.1558 203.15617 29.071383 29.664821
9600 67 -2511.4011 -2613.9597 203.2571 29.866546 29.676579
9700 68 -2512.7013 -2612.2983 202.78084 29.004111 29.621101
9800 69 -2511.842 -2613.6997 203.42265 29.662439 29.695862
9900 69 -2514.1908 -2615.9923 202.92404 29.646084 29.637782
10000 70 -2515.2188 -2615.5109 202.63891 29.206539 29.604568
Loop time of 69.965 on 4 procs for 10000 steps with 1440 atoms
Pair time (%) = 35.3853 (50.5757)
Neigh time (%) = 14.4046 (20.5883)
Comm time (%) = 6.90306 (9.86646)
Outpt time (%) = 0.0317107 (0.0453237)
Other time (%) = 13.2403 (18.9242)
Nlocal: 360 ave 360 max 360 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost: 4060 ave 4060 max 4060 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs: 104570 ave 104913 max 104118 min
Histogram: 1 0 0 0 1 0 0 0 1 1
FullNghs: 209141 ave 210354 max 207940 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 836564
Ave neighs/atom = 580.947
Neighbor list builds = 1000
Dangerous builds = 0
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