LAMMPS (30 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 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 0.93 -3585.2592 -3688.276 206.03359 20 20 200 1.9 -3649.8412 -3752.858 206.03359 20 20 300 2.8 -3638.7879 -3741.8047 206.03359 20 20 400 3.8 -3641.387 -3744.4038 206.03359 20 20 Loop time of 3.77168 on 4 procs for 400 steps with 2016 atoms Pair time (%) = 2.0996 (55.6675) Neigh time (%) = 0.853948 (22.6411) Comm time (%) = 0.451974 (11.9834) Outpt time (%) = 0.00118572 (0.0314373) Other time (%) = 0.364973 (9.67668) 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 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 8.1 -3641.3598 -3745.7684 208.72769 20.270195 20.147681 1000 10 -3641.3633 -3744.4804 206.14469 20.01948 20.000916 1200 12 -3641.3461 -3745.088 207.39643 20.140774 20.048989 1400 14 -3641.3142 -3744.8632 207.01063 20.103323 20.101701 1600 16 -3641.3156 -3742.7705 202.82111 19.69678 19.661121 1800 18 -3641.316 -3743.0731 203.426 19.755441 19.722221 2000 20 -3641.3398 -3742.3792 201.99012 19.616091 19.597215 2200 22 -3641.3731 -3743.0677 203.30107 19.743306 19.727173 2400 24 -3641.2828 -3745.8996 209.14521 20.310613 20.319088 2600 26 -3641.3634 -3743.8039 204.79274 19.888105 19.949094 2800 28 -3641.3441 -3741.4297 200.08277 19.430931 19.239953 3000 30 -3641.3148 -3742.6599 202.602 19.675455 19.709217 3200 32 -3641.2859 -3742.6672 202.6744 19.68247 19.589857 3400 34 -3641.3698 -3743.1191 203.41009 19.753928 19.61843 3600 36 -3641.2872 -3742.8149 202.96721 19.710905 19.636161 3800 38 -3641.3532 -3741.7567 200.71871 19.492661 19.553996 4000 40 -3641.3678 -3740.8478 198.87111 19.313344 19.20547 4200 42 -3641.3412 -3743.3077 203.84569 19.79609 19.758581 4400 44 -3641.2985 -3743.926 205.16703 19.924421 19.682565 4600 46 -3641.3583 -3741.5377 200.27113 19.449139 19.459934 4800 48 -3641.3204 -3742.091 201.45376 19.563917 19.472208 5000 50 -3641.3593 -3745.2374 207.66855 20.167216 20.028789 Loop time of 50.3553 on 4 procs for 5000 steps with 2016 atoms Pair time (%) = 25.992 (51.6171) Neigh time (%) = 10.4938 (20.8394) Comm time (%) = 5.62974 (11.18) Outpt time (%) = 0.0202667 (0.0402473) Other time (%) = 8.21959 (16.3232) 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