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lammps/examples/USER/atc/thermal/bar1d_flux.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 52 nodes, 13 unique nodes, and 12 elements
ATC: created faceset ibndy with 2 faces
ATC: created faceset obndy with 2 faces
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 = 50.9732 Mbytes
Step CPU TotEng PotEng AtC[1] Temp AtC[2]
0 0 -2573.6428 -2710.8793 412.06718 39.965279 20
10 0.5 -2626.7498 -2695.4276 412.06718 20 20
20 0.57 -2600.7022 -2669.38 412.06718 20 20
30 0.67 -2570.0142 -2638.6921 412.06718 20 20
40 0.8 -2548.1494 -2616.8273 412.06718 20 20
50 0.91 -2541.6409 -2610.3188 412.06718 20 20
60 1.1 -2539.3355 -2608.0134 412.06718 20 20
70 1.1 -2534.3684 -2603.0463 412.06718 20 20
80 1.2 -2530.2415 -2598.9194 412.06718 20 20
90 1.3 -2531.3411 -2600.019 412.06718 20 20
100 1.5 -2537.6764 -2606.3542 412.06718 20 20
110 1.5 -2546.506 -2615.1838 412.06718 20 20
120 1.6 -2555.0937 -2623.7716 412.06718 20 20
130 1.7 -2562.4178 -2631.0957 412.06718 20 20
140 1.8 -2568.7827 -2637.4606 412.06718 20 20
150 1.8 -2574.6292 -2643.307 412.06718 20 20
160 1.9 -2579.7542 -2648.432 412.06718 20 20
170 2 -2583.6629 -2652.3408 412.06718 20 20
180 2.1 -2585.9113 -2654.5892 412.06718 20 20
190 2.2 -2586.1786 -2654.8565 412.06718 20 20
200 2.4 -2584.8754 -2653.5532 412.06718 20 20
210 2.5 -2582.8956 -2651.5734 412.06718 20 20
220 2.6 -2580.6882 -2649.366 412.06718 20 20
230 2.8 -2578.24 -2646.9179 412.06718 20 20
240 3.1 -2575.9058 -2644.5836 412.06718 20 20
250 3.1 -2574.2875 -2642.9654 412.06718 20 20
260 3.2 -2573.8273 -2642.5052 412.06718 20 20
270 3.3 -2574.3017 -2642.9796 412.06718 20 20
280 3.4 -2574.7059 -2643.3838 412.06718 20 20
290 3.5 -2574.7745 -2643.4524 412.06718 20 20
300 3.6 -2575.3126 -2643.9904 412.06718 20 20
310 3.7 -2576.5002 -2645.178 412.06718 20 20
320 3.8 -2577.7411 -2646.419 412.06718 20 20
330 3.8 -2578.2283 -2646.9061 412.06718 20 20
340 3.9 -2577.7485 -2646.4263 412.06718 20 20
350 4 -2576.9631 -2645.6409 412.06718 20 20
360 4.1 -2576.0309 -2644.7088 412.06718 20 20
370 4.2 -2574.9309 -2643.6088 412.06718 20 20
380 4.2 -2573.7943 -2642.4721 412.06718 20 20
390 4.3 -2573.0353 -2641.7132 412.06718 20 20
400 4.4 -2573.4199 -2642.0977 412.06718 20 20
Loop time of 4.39007 on 4 procs for 400 steps with 1440 atoms
Pair time (%) = 1.53825 (35.0394)
Neigh time (%) = 0.653602 (14.8882)
Comm time (%) = 1.02954 (23.4515)
Outpt time (%) = 0.0159321 (0.362913)
Other time (%) = 1.15274 (26.258)
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: 104865 ave 104966 max 104653 min
Histogram: 1 0 0 0 0 0 0 1 0 2
FullNghs: 209730 ave 209902 max 209521 min
Histogram: 1 0 0 0 1 0 0 1 0 1
Total # of neighbors = 838918
Ave neighs/atom = 582.582
Neighbor list builds = 40
Dangerous builds = 0
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 = 55.72 Mbytes
Step CPU TotEng PotEng AtC[1] Temp AtC[2]
400 0 -2573.4199 -2642.0977 412.06718 20 20
410 0.087 -2573.3989 -2643.8456 433.15262 20.515086 21.713906
420 0.17 -2573.4227 -2646.1086 438.04239 21.167211 21.932978
430 0.25 -2573.4509 -2647.2056 440.59304 21.478451 22.047254
440 0.33 -2573.4593 -2646.2699 439.10407 21.203492 21.980544
450 0.41 -2573.477 -2644.3183 435.54519 20.630023 21.821098
460 0.49 -2573.492 -2643.0074 433.25785 20.243891 21.71862
470 0.57 -2573.4972 -2642.6209 432.83341 20.12985 21.699605
480 0.65 -2573.5082 -2642.5684 433.06695 20.111322 21.710068
490 0.73 -2573.5206 -2642.9262 434.12535 20.211932 21.757486
500 0.81 -2573.5404 -2643.6737 435.95443 20.42383 21.839434
Loop time of 0.813873 on 4 procs for 100 steps with 1440 atoms
Pair time (%) = 0.34899 (42.8801)
Neigh time (%) = 0.144871 (17.8002)
Comm time (%) = 0.0516074 (6.34097)
Outpt time (%) = 0.00401354 (0.49314)
Other time (%) = 0.264392 (32.4856)
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: 104762 ave 105086 max 104552 min
Histogram: 2 0 0 0 1 0 0 0 0 1
FullNghs: 209524 ave 209826 max 209318 min
Histogram: 1 0 1 1 0 0 0 0 0 1
Total # of neighbors = 838094
Ave neighs/atom = 582.01
Neighbor list builds = 10
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 = 55.72 Mbytes
Step CPU TotEng PotEng AtC[1] Temp AtC[2]
0 0 -2573.5404 -2643.6737 435.95443 20.42383 21.839434
100 1.1 -2573.5201 -2644.6896 441.36654 20.725607 22.081908
200 2.1 -2573.6986 -2641.8416 438.49489 19.844232 21.953252
300 3.3 -2573.8026 -2646.5126 450.6649 21.174221 22.498496
400 4.3 -2574.0076 -2641.6212 443.12147 19.690084 22.160533
500 5.5 -2573.8428 -2644.4381 451.49978 20.558381 22.5359
600 6.6 -2573.9961 -2641.9998 448.70746 19.803677 22.410798
700 7.6 -2573.8774 -2643.3051 453.67192 20.218357 22.633217
800 8.4 -2573.7077 -2642.9004 455.12598 20.149918 22.698362
900 9.2 -2573.659 -2643.8164 458.91706 20.430858 22.868211
1000 10 -2573.6515 -2645.0297 463.27029 20.786373 23.063246
1100 11 -2573.739 -2643.1888 461.37312 20.224789 22.978248
1200 12 -2573.8829 -2643.4916 463.51413 20.271065 23.07417
1300 12 -2573.6889 -2642.1642 462.75357 19.941028 23.040095
1400 13 -2573.6138 -2643.3131 466.83853 20.297442 23.223111
1500 14 -2573.6377 -2644.037 469.86295 20.501291 23.358612
1600 16 -2573.7132 -2642.1741 467.56259 19.936825 23.25555
1700 17 -2573.6318 -2644.3408 473.44986 20.591494 23.519313
1800 18 -2573.5331 -2645.0402 476.4419 20.823916 23.653363
1900 19 -2573.4381 -2643.6765 475.25076 20.454439 23.599998
2000 20 -2573.2109 -2643.7709 477.03683 20.548116 23.680017
2100 21 -2572.7952 -2641.9155 475.13352 20.128847 23.594745
2200 21 -2572.3464 -2644.6346 482.39664 21.051379 23.920149
2300 22 -2572.1743 -2643.3235 481.25163 20.719688 23.86885
2400 23 -2572.003 -2641.285 478.59356 20.175918 23.749762
2500 24 -2571.9544 -2642.3789 482.04175 20.508634 23.904249
2600 25 -2571.5378 -2645.5591 490.12091 21.556075 24.266214
2700 25 -2571.194 -2643.2392 487.04142 20.980609 24.128245
2800 26 -2570.7174 -2640.0345 482.27121 20.186156 23.91453
2900 27 -2570.1078 -2642.3194 488.64361 21.029079 24.200027
3000 28 -2569.629 -2639.2966 484.19967 20.288221 24.000929
3100 29 -2569.2046 -2639.152 485.43842 20.369711 24.056428
3200 30 -2568.7882 -2639.9226 488.49663 20.715389 24.193442
3300 30 -2568.3921 -2642.7345 495.61975 21.649606 24.512574
3400 31 -2567.891 -2642.4061 496.56031 21.699906 24.554713
3500 32 -2567.427 -2639.0374 491.37897 20.853974 24.322578
3600 33 -2566.8768 -2638.0079 490.88541 20.714401 24.300465
3700 34 -2566.2734 -2639.3392 495.18518 21.277842 24.493104
3800 34 -2565.7852 -2641.3533 500.73283 22.006534 24.741652
3900 37 -2565.7265 -2638.1821 495.43581 21.100134 24.504333
4000 37 -2565.6983 -2639.4683 499.03414 21.482923 24.665547
4100 38 -2565.7639 -2639.2719 499.53281 21.406617 24.687888
4200 40 -2565.625 -2640.6103 503.37081 21.836828 24.859839
4300 40 -2565.4337 -2638.9291 501.16899 21.40294 24.761193
4400 41 -2565.2841 -2638.0978 500.53725 21.204407 24.732889
4500 42 -2564.9077 -2638.3346 502.30975 21.382989 24.812301
4600 43 -2564.6232 -2642.1774 511.25728 22.58494 25.213171
4700 44 -2564.1627 -2641.874 512.04261 22.630698 25.248355
4800 45 -2563.7451 -2638.6352 506.82273 21.809095 25.014493
4900 45 -2563.1698 -2638.5762 508.19932 21.959455 25.076167
5000 46 -2562.7311 -2638.9256 510.23315 22.188955 25.167288
5100 47 -2562.1789 -2637.2983 508.42366 21.875875 25.086218
5200 48 -2561.8603 -2638.4362 511.81985 22.300012 25.238375
5300 49 -2561.4518 -2638.6128 513.46746 22.470413 25.312192
5400 49 -2561.0887 -2636.5462 510.54177 21.974325 25.181115
5500 50 -2560.7913 -2637.674 513.91855 22.389358 25.332402
5600 51 -2560.4293 -2635.6344 511.01724 21.900824 25.202416
5700 52 -2559.956 -2638.664 518.41982 22.920936 25.534069
5800 53 -2559.5294 -2636.8718 516.0703 22.523257 25.428805
5900 53 -2559.2184 -2637.7882 518.98207 22.880675 25.559259
6000 54 -2558.7839 -2637.881 520.33211 23.034231 25.619744
6100 55 -2558.2076 -2636.2274 518.42834 22.720496 25.53445
6200 57 -2557.7055 -2635.5853 518.46629 22.679729 25.536151
6300 57 -2557.275 -2635.3449 519.15358 22.735109 25.566943
6400 59 -2556.9861 -2634.0119 517.55898 22.431055 25.495501
6500 60 -2556.6947 -2636.4319 523.44577 23.220628 25.759242
6600 61 -2556.3261 -2633.5874 518.88303 22.499641 25.554822
6700 61 -2556.0983 -2634.3646 521.38252 22.792298 25.666804
6800 62 -2555.7606 -2632.5328 518.78459 22.357197 25.550411
6900 63 -2555.2965 -2634.6317 524.15767 23.103559 25.791137
7000 64 -2554.8934 -2637.194 530.43216 23.967159 26.072249
7100 65 -2554.5446 -2635.57 528.22644 23.595759 25.973427
7200 65 -2554.0567 -2631.7969 521.8733 22.639092 25.688792
7300 66 -2553.516 -2636.3304 532.21316 24.116751 26.152042
7400 67 -2553.2132 -2631.2954 523.12951 22.738664 25.745074
7500 68 -2552.826 -2635.2341 532.13047 23.998434 26.148337
7600 69 -2552.5036 -2632.0088 526.65649 23.153076 25.90309
7700 70 -2552.022 -2632.2323 528.25595 23.358404 25.97475
7800 71 -2551.57 -2633.2608 531.44638 23.789544 26.117688
7900 71 -2551.255 -2632.3043 530.48366 23.602743 26.074556
8000 72 -2550.8499 -2632.0816 531.11588 23.655854 26.102881
8100 73 -2550.5837 -2631.3645 530.61796 23.524571 26.080573
8200 74 -2550.5492 -2631.2585 531.09172 23.503718 26.101798
8300 75 -2550.571 -2631.4011 532.00391 23.538904 26.142667
8400 76 -2550.5563 -2634.2103 538.29195 24.361265 26.424385
8500 77 -2550.3181 -2631.2702 533.28023 23.574444 26.199849
8600 79 -2549.8887 -2632.7932 537.36071 24.143017 26.382663
8700 79 -2549.4418 -2631.583 536.05745 23.920729 26.324274
8800 80 -2549.0389 -2633.5074 540.85459 24.598449 26.539197
8900 81 -2548.632 -2630.007 534.9072 23.69757 26.27274
9000 82 -2548.5009 -2631.2347 538.06423 24.093293 26.414182
9100 83 -2548.1807 -2629.7776 536.11497 23.762211 26.326851
9200 84 -2548.013 -2628.7314 534.75002 23.506386 26.265699
9300 85 -2547.7615 -2630.5208 539.22355 24.100708 26.466123
9400 85 -2547.3193 -2629.0508 537.3089 23.801401 26.380342
9500 86 -2546.9048 -2632.3171 544.87205 24.873305 26.719188
9600 87 -2546.4783 -2631.3151 543.83909 24.705735 26.672909
9700 88 -2546.0177 -2631.6459 545.58652 24.936195 26.751198
9800 89 -2545.5995 -2630.0939 543.46879 24.606005 26.656319
9900 89 -2545.3065 -2628.1317 540.38322 24.119904 26.518079
10000 90 -2545.0477 -2631.2427 547.46396 25.101238 26.835312
Loop time of 90.2774 on 4 procs for 10000 steps with 1440 atoms
Pair time (%) = 35.8366 (39.6961)
Neigh time (%) = 14.9238 (16.531)
Comm time (%) = 9.50541 (10.5291)
Outpt time (%) = 0.125686 (0.139222)
Other time (%) = 29.8859 (33.1045)
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: 104819 ave 104912 max 104720 min
Histogram: 1 0 1 0 0 0 0 0 1 1
FullNghs: 209638 ave 210108 max 209134 min
Histogram: 1 1 0 0 0 0 0 0 0 2
Total # of neighbors = 838550
Ave neighs/atom = 582.326
Neighbor list builds = 1000
Dangerous builds = 0
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