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lammps/examples/USER/atc/two_temperature/restart.screen
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LAMMPS (14 Aug 2013)
Reading data file ...
orthogonal box = (-64.86 -16.215 -16.215) to (64.86 16.215 16.215)
4 by 1 by 1 MPI processor grid
3456 atoms
3456 velocities
Lattice spacing in x,y,z = 5.405 5.405 5.405
2880 atoms in group internal
576 atoms in group ghost
ATC: constructing two_temperature coupling with parameter file Ar_ttm.mat
ATC: peratom PE compute created with ID: 3
ATC: 2 materials defined from Ar_ttm.mat
ATC: creating two_temperature extrinsic model
ATC: 2 materials defined from Ar_ttm.mat
ATC: created uniform mesh with 60 nodes, 15 unique nodes, and 14 elements
Setting up run ...
Memory usage per processor = 97.9907 Mbytes
Step Temp E_pair E_mol TotEng Press
0 16.671491 -6505.7593 0 -6334.0647 -1236.2423
100 16.671491 -6501.3833 0 -6329.6886 -1223.1536
200 16.671491 -6500.6894 0 -6328.9948 -1219.3362
300 16.671491 -6503.1069 0 -6331.4122 -1227.3602
400 16.671491 -6500.6574 0 -6328.9628 -1220.86
500 16.671491 -6502.4882 0 -6330.7935 -1225.3148
600 16.671491 -6505.0003 0 -6333.3057 -1232.9704
700 16.671491 -6501.3022 0 -6329.6075 -1221.089
800 16.671491 -6503.8814 0 -6332.1868 -1228.9533
900 16.671491 -6505.846 0 -6334.1514 -1235.4657
1000 16.671491 -6504.4261 0 -6332.7314 -1231.2716
Loop time of 37.7773 on 4 procs for 1000 steps with 3456 atoms
Pair time (%) = 10.8992 (28.8511)
Neigh time (%) = 4.99517 (13.2227)
Comm time (%) = 6.46988 (17.1264)
Outpt time (%) = 0.0506067 (0.13396)
Other time (%) = 15.3625 (40.6659)
Nlocal: 864 ave 864 max 864 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost: 6741 ave 7924 max 5558 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs: 273177 ave 289116 max 257307 min
Histogram: 2 0 0 0 0 0 0 0 0 2
FullNghs: 546354 ave 576160 max 516664 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 2185418
Ave neighs/atom = 632.355
Neighbor list builds = 100
Dangerous builds = 0
ATC: created faceset bndy with 2 faces
ATC: created nodeset lbc with 1 nodes
ATC: created nodeset rbc with 1 nodes
Setting up run ...
Memory usage per processor = 102.974 Mbytes
Step Temp E_pair E_mol TotEng Press
0 16.671491 -6504.4261 0 -6332.7314 -1231.2716
100 16.530548 -6502.2979 0 -6332.0547 -1225.9982
200 16.768382 -6503.3792 0 -6330.6867 -1227.3237
300 16.645261 -6500.2867 0 -6328.8622 -1218.8568
400 16.895022 -6499.7419 0 -6325.7451 -1218.3147
500 17.025324 -6497.5028 0 -6322.1641 -1209.3964
600 17.357415 -6496.5551 0 -6317.7963 -1206.7087
700 17.318832 -6491.6971 0 -6313.3357 -1193.3844
800 17.899936 -6492.264 0 -6307.9179 -1191.1732
900 18.450923 -6492.0033 0 -6301.9828 -1190.2234
1000 18.293629 -6484.9144 0 -6296.5138 -1169.3319
1100 18.566253 -6481.8954 0 -6290.6872 -1161.7547
1200 18.884588 -6479.22 0 -6284.7334 -1152.6827
1300 19.428205 -6477.9973 0 -6277.9121 -1147.8183
1400 19.653142 -6473.9811 0 -6271.5793 -1136.5497
1500 19.9352 -6470.4382 0 -6265.1316 -1122.9541
1600 20.587115 -6470.6124 0 -6258.5919 -1122.3456
1700 20.433936 -6462.792 0 -6252.349 -1100.3298
1800 21.314998 -6465.4549 0 -6245.9382 -1104.9574
1900 21.353208 -6458.9075 0 -6238.9973 -1085.5335
2000 21.394021 -6453.327 0 -6232.9964 -1069.954
Loop time of 235.783 on 4 procs for 2000 steps with 3456 atoms
Pair time (%) = 26.6899 (11.3197)
Neigh time (%) = 13.9674 (5.92386)
Comm time (%) = 42.2094 (17.9018)
Outpt time (%) = 0.572407 (0.242769)
Other time (%) = 152.344 (64.6118)
Nlocal: 864 ave 864 max 864 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost: 6741 ave 7924 max 5558 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs: 272686 ave 287488 max 257348 min
Histogram: 2 0 0 0 0 0 0 0 0 2
FullNghs: 545372 ave 575305 max 514897 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 2181486
Ave neighs/atom = 631.217
Neighbor list builds = 200
Dangerous builds = 0
System init for write_restart ...
ATC: constructing two_temperature coupling with parameter file Ar_ttm.mat
ATC: peratom PE compute created with ID: 3
ATC: 2 materials defined from Ar_ttm.mat
ATC: creating two_temperature extrinsic model
ATC: 2 materials defined from Ar_ttm.mat
ATC: created uniform mesh with 60 nodes, 15 unique nodes, and 14 elements
ATC: created faceset bndy with 2 faces
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: P0, found 3456 atoms in reference file
ATC: P0, read 3456 reference positions
Memory usage per processor = 102.974 Mbytes
Step Temp E_pair E_mol TotEng Press
0 21.394021 -6453.327 0 -6232.9964 -1069.954
100 21.611528 -6449.5788 0 -6227.0081 -1058.3224
200 21.976031 -6447.3787 0 -6221.0542 -1050.4447
300 22.453535 -6446.5516 0 -6215.3094 -1047.2794
400 23.061538 -6447.4669 0 -6209.9631 -1048.3359
500 23.0435 -6441.8867 0 -6204.5687 -1031.0775
600 23.434674 -6439.8253 0 -6198.4787 -1023.8681
700 23.661242 -6436.051 0 -6192.371 -1012.9536
800 23.855535 -6432.3914 0 -6186.7104 -1002.6094
900 24.57972 -6434.1846 0 -6181.0454 -1005.6096
1000 24.591901 -6427.6437 0 -6174.3791 -986.79755
1100 24.564542 -6420.9496 0 -6167.9668 -967.60512
1200 25.124526 -6420.7193 0 -6161.9694 -965.13516
1300 25.451194 -6418.1572 0 -6156.043 -957.51898
1400 25.392119 -6411.6404 0 -6150.1346 -940.17651
1500 25.941448 -6411.8573 0 -6144.6941 -937.00901
1600 26.068719 -6407.9609 0 -6139.4871 -925.02968
1700 26.556302 -6407.3907 0 -6133.8954 -921.78016
1800 27.343301 -6410.2665 0 -6128.6661 -928.15556
1900 27.586019 -6407.6536 0 -6123.5535 -917.44798
2000 27.450662 -6401.9839 0 -6119.2778 -903.28749
Loop time of 65.9952 on 4 procs for 2000 steps with 3456 atoms
Pair time (%) = 19.756 (29.9355)
Neigh time (%) = 8.36309 (12.6723)
Comm time (%) = 7.43406 (11.2645)
Outpt time (%) = 0.0658885 (0.0998383)
Other time (%) = 30.3762 (46.0278)
Nlocal: 864 ave 864 max 864 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost: 6741 ave 7924 max 5558 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs: 272377 ave 288250 max 256633 min
Histogram: 2 0 0 0 0 0 0 0 0 2
FullNghs: 544754 ave 574451 max 514186 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 2179016
Ave neighs/atom = 630.502
Neighbor list builds = 200
Dangerous builds = 0
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