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lammps/examples/USER/atc/thermal/bar1d_all_atoms.screen
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LAMMPS (24 Aug 2013)
Reading data file ...
orthogonal box = (-37.835 -16.215 -16.215) to (37.835 16.215 16.215)
4 by 1 by 1 MPI processor grid
2016 atoms
2016 velocities
Lattice spacing in x,y,z = 5.405 5.405 5.405
1728 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 28 nodes, 7 unique nodes, and 6 elements
ATC: created faceset obndy with 2 faces
ATC: created faceset lbndy with 1 faces
ATC: created faceset rbndy 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 = 20.8162 Mbytes
Step CPU TotEng PotEng AtC[1] Temp AtC[2]
0 0 -3635.4921 -3841.4065 206.03359 39.976852 20
100 1.6 -3585.2592 -3688.276 206.03359 20 20
200 2.9 -3649.8412 -3752.858 206.03359 20 20
300 4.3 -3638.7879 -3741.8047 206.03359 20 20
400 5.4 -3641.387 -3744.4038 206.03359 20 20
Loop time of 5.35825 on 4 procs for 400 steps with 2016 atoms
Pair time (%) = 2.28779 (42.6965)
Neigh time (%) = 0.916377 (17.1021)
Comm time (%) = 1.52552 (28.4704)
Outpt time (%) = 0.0012235 (0.022834)
Other time (%) = 0.627349 (11.7081)
Nlocal: 504 ave 504 max 504 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost: 5411 ave 6594 max 4228 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs: 152906 ave 168710 max 137650 min
Histogram: 2 0 0 0 0 0 0 0 0 2
FullNghs: 305812 ave 336029 max 275367 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 1223248
Ave neighs/atom = 606.77
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 = 23.0538 Mbytes
Step CPU TotEng PotEng AtC[1] Temp AtC[2]
0 0 -3641.387 -3744.4038 206.03359 20 20
200 2 -3641.4558 -3741.6259 200.24916 19.447339 19.248846
400 4 -3641.3526 -3743.9363 205.0775 19.915921 19.699533
600 6 -3641.375 -3743.2251 203.6111 19.773486 19.612208
800 9.2 -3641.3598 -3745.7684 208.72769 20.270195 20.147681
1000 12 -3641.3633 -3744.4804 206.14469 20.01948 20.000916
1200 14 -3641.3461 -3745.088 207.39643 20.140774 20.048989
1400 16 -3641.3142 -3744.8632 207.01063 20.103323 20.101701
1600 18 -3641.3156 -3742.7705 202.82111 19.69678 19.661121
1800 20 -3641.316 -3743.0731 203.426 19.755441 19.722221
2000 22 -3641.3398 -3742.3792 201.99012 19.616091 19.597215
2200 24 -3641.3731 -3743.0677 203.30107 19.743306 19.727173
2400 26 -3641.2828 -3745.8996 209.14521 20.310613 20.319088
2600 29 -3641.3634 -3743.8039 204.79274 19.888105 19.949094
2800 31 -3641.3441 -3741.4297 200.08277 19.430931 19.239953
3000 33 -3641.3148 -3742.6599 202.602 19.675455 19.709217
3200 35 -3641.2859 -3742.6672 202.6744 19.68247 19.589857
3400 37 -3641.3698 -3743.1191 203.41009 19.753928 19.61843
3600 40 -3641.2872 -3742.8149 202.96721 19.710905 19.636161
3800 41 -3641.3532 -3741.7567 200.71871 19.492661 19.553996
4000 43 -3641.3678 -3740.8478 198.87111 19.313344 19.20547
4200 45 -3641.3412 -3743.3077 203.84569 19.79609 19.758581
4400 49 -3641.2985 -3743.926 205.16703 19.924421 19.682565
4600 51 -3641.3583 -3741.5377 200.27113 19.449139 19.459934
4800 53 -3641.3204 -3742.091 201.45376 19.563917 19.472208
5000 55 -3641.3593 -3745.2374 207.66855 20.167216 20.028789
Loop time of 55.494 on 4 procs for 5000 steps with 2016 atoms
Pair time (%) = 26.1425 (47.1087)
Neigh time (%) = 10.7726 (19.4122)
Comm time (%) = 7.5639 (13.6301)
Outpt time (%) = 0.0215942 (0.0389127)
Other time (%) = 10.9934 (19.81)
Nlocal: 504 ave 504 max 504 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost: 5411 ave 6594 max 4228 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs: 152904 ave 169876 max 137279 min
Histogram: 2 0 0 0 0 0 0 0 0 2
FullNghs: 305807 ave 336458 max 275593 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 1223228
Ave neighs/atom = 606.76
Neighbor list builds = 500
Dangerous builds = 0
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