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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
144 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 44 nodes, 11 unique nodes, and 10 elements
ATC: created faceset ibndy with 1 faces
ATC: created faceset obndy with 1 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 343.38932 35.524692 20
10 0.15 -2626.7498 -2695.4276 343.38932 17.777778 20
20 0.46 -2600.7022 -2669.38 343.38932 17.777778 20
30 0.56 -2570.0142 -2638.6921 343.38932 17.777778 20
40 0.74 -2548.1494 -2616.8273 343.38932 17.777778 20
50 0.82 -2541.6409 -2610.3188 343.38932 17.777778 20
60 0.89 -2539.3355 -2608.0134 343.38932 17.777778 20
70 0.97 -2534.3684 -2603.0463 343.38932 17.777778 20
80 1.1 -2530.2415 -2598.9194 343.38932 17.777778 20
90 1.2 -2531.3411 -2600.019 343.38932 17.777778 20
100 1.3 -2537.6764 -2606.3542 343.38932 17.777778 20
110 1.4 -2546.506 -2615.1838 343.38932 17.777778 20
120 1.6 -2555.0937 -2623.7716 343.38932 17.777778 20
130 1.8 -2562.4178 -2631.0957 343.38932 17.777778 20
140 1.9 -2568.7827 -2637.4606 343.38932 17.777778 20
150 2.1 -2574.6292 -2643.307 343.38932 17.777778 20
160 2.3 -2579.7542 -2648.432 343.38932 17.777778 20
170 2.4 -2583.6629 -2652.3408 343.38932 17.777778 20
180 2.5 -2585.9113 -2654.5892 343.38932 17.777778 20
190 2.6 -2586.1786 -2654.8565 343.38932 17.777778 20
200 2.8 -2584.8754 -2653.5532 343.38932 17.777778 20
210 2.9 -2582.8956 -2651.5734 343.38932 17.777778 20
220 3 -2580.6882 -2649.366 343.38932 17.777778 20
230 3.1 -2578.24 -2646.9179 343.38932 17.777778 20
240 3.2 -2575.9058 -2644.5836 343.38932 17.777778 20
250 3.3 -2574.2875 -2642.9654 343.38932 17.777778 20
260 3.4 -2573.8273 -2642.5052 343.38932 17.777778 20
270 3.5 -2574.3017 -2642.9796 343.38932 17.777778 20
280 3.6 -2574.7059 -2643.3838 343.38932 17.777778 20
290 3.8 -2574.7745 -2643.4524 343.38932 17.777778 20
300 3.9 -2575.3126 -2643.9904 343.38932 17.777778 20
310 4.1 -2576.5002 -2645.178 343.38932 17.777778 20
320 4.2 -2577.7411 -2646.419 343.38932 17.777778 20
330 4.3 -2578.2283 -2646.9061 343.38932 17.777778 20
340 4.5 -2577.7485 -2646.4263 343.38932 17.777778 20
350 4.6 -2576.9631 -2645.6409 343.38932 17.777778 20
360 4.8 -2576.0309 -2644.7088 343.38932 17.777778 20
370 4.9 -2574.9309 -2643.6088 343.38932 17.777778 20
380 5 -2573.7943 -2642.4721 343.38932 17.777778 20
390 5.1 -2573.0353 -2641.7132 343.38932 17.777778 20
400 5.2 -2573.4199 -2642.0977 343.38932 17.777778 20
Loop time of 5.20061 on 4 procs for 400 steps with 1440 atoms
Pair time (%) = 1.65618 (31.8459)
Neigh time (%) = 0.668905 (12.862)
Comm time (%) = 1.52324 (29.2895)
Outpt time (%) = 0.0232612 (0.447279)
Other time (%) = 1.32903 (25.5552)
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
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 = 63.9688 Mbytes
Step CPU TotEng PotEng AtC[1] Temp AtC[2]
0 0 -2573.4199 -2642.0977 343.38932 17.777778 20
100 1.1 -2574.1221 -2644.1227 366.86215 18.120179 22.151933
200 2 -2574.368 -2645.6588 372.76111 18.454143 22.464272
300 3.1 -2574.5571 -2642.1914 368.54473 17.507654 22.241023
400 5.1 -2573.8831 -2646.3956 381.21405 18.77039 22.91184
500 5.9 -2574.1212 -2641.3392 373.2869 17.399874 22.492112
600 7.3 -2575.6292 -2645.7049 381.45457 18.139627 22.924575
700 8.1 -2574.5398 -2642.276 379.21993 17.534018 22.806254
800 9 -2575.7147 -2644.4983 383.4578 17.805128 23.030642
900 9.9 -2575.9679 -2644.264 384.40144 17.678956 23.080605
1000 11 -2574.7257 -2644.11 388.41299 17.960637 23.293009
1100 12 -2574.3951 -2645.4009 393.54083 18.380392 23.564519
1200 12 -2573.4022 -2643.2837 393.1983 18.089328 23.546383
1300 13 -2573.1301 -2643.3336 395.59223 18.172701 23.673137
1400 14 -2573.6807 -2643.1251 395.65516 17.976194 23.676469
1500 15 -2573.941 -2642.7411 396.10118 17.809426 23.700085
1600 16 -2572.2731 -2643.4215 402.46406 18.417286 24.036987
1700 17 -2571.634 -2640.8286 400.21007 17.911532 23.917643
1800 18 -2574.22 -2645.1741 405.32422 18.367004 24.188427
1900 19 -2572.1014 -2643.7409 408.29043 18.544436 24.345483
2000 20 -2572.7805 -2643.7309 408.51237 18.366044 24.357234
2100 21 -2574.4982 -2645.4058 409.91869 18.354974 24.431696
2200 22 -2573.6994 -2643.2148 408.43574 17.994584 24.353177
2300 22 -2572.9286 -2645.0323 414.83736 18.664591 24.69213
2400 23 -2572.8631 -2643.1356 412.49463 18.190579 24.568087
2500 25 -2573.1978 -2641.401 409.7314 17.654899 24.421779
2600 26 -2572.5709 -2642.9318 415.39198 18.213443 24.721496
2700 27 -2573.8846 -2646.8168 421.79985 18.879037 25.060781
2800 29 -2572.2696 -2643.6382 419.83482 18.47431 24.956737
2900 29 -2572.3981 -2641.2173 415.8328 17.814358 24.744837
3000 30 -2572.0099 -2643.1283 421.40094 18.409529 25.03966
3100 31 -2573.6747 -2642.5137 417.77509 17.819488 24.847677
3200 32 -2572.3897 -2640.7218 417.75014 17.688295 24.846356
3300 33 -2572.4622 -2641.0094 419.22189 17.74395 24.924283
3400 34 -2574.397 -2645.7327 425.93117 18.465771 25.279527
3500 35 -2574.1636 -2645.5142 427.08548 18.469627 25.340645
3600 35 -2573.5119 -2643.5124 425.4481 18.120142 25.253949
3700 36 -2574.6195 -2641.8713 420.88263 17.408634 25.012216
3800 37 -2573.6828 -2642.8075 425.44497 17.893448 25.253783
3900 38 -2575.0132 -2644.4186 426.83652 17.966112 25.327463
4000 39 -2574.095 -2642.3458 425.44626 17.667234 25.253852
4100 40 -2573.8305 -2644.7007 431.68177 18.345287 25.58401
4200 41 -2571.5672 -2641.8797 431.58249 18.200917 25.578753
4300 41 -2572.9189 -2643.2307 432.52704 18.20073 25.628766
4400 42 -2571.8961 -2644.0122 437.07886 18.667804 25.869776
4500 43 -2572.4669 -2641.0876 430.98608 17.762985 25.547174
4600 44 -2572.9128 -2643.1457 434.95838 18.180311 25.7575
4700 46 -2572.7779 -2644.3091 438.24406 18.516384 25.931471
4800 47 -2570.0191 -2640.9336 437.72427 18.356762 25.903949
4900 48 -2570.9577 -2643.6775 442.01839 18.824052 26.131315
5000 49 -2570.5553 -2642.7117 441.50654 18.678228 26.104213
Loop time of 49.1972 on 4 procs for 5000 steps with 1440 atoms
Pair time (%) = 18.1905 (36.9747)
Neigh time (%) = 7.60505 (15.4583)
Comm time (%) = 4.8365 (9.83084)
Outpt time (%) = 0.0353996 (0.0719544)
Other time (%) = 18.5297 (37.6642)
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: 104894 ave 105161 max 104681 min
Histogram: 1 0 1 0 0 1 0 0 0 1
FullNghs: 209788 ave 209864 max 209694 min
Histogram: 1 0 0 0 0 1 1 0 0 1
Total # of neighbors = 839152
Ave neighs/atom = 582.744
Neighbor list builds = 500
Dangerous builds = 0
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