a04f267b54
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
104 lines
5.0 KiB
Plaintext
104 lines
5.0 KiB
Plaintext
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 0.91 -3585.2592 -3688.276 206.03359 20 20
|
|
200 1.8 -3649.8412 -3752.858 206.03359 20 20
|
|
300 2.7 -3638.7879 -3741.8047 206.03359 20 20
|
|
400 3.6 -3641.387 -3744.4038 206.03359 20 20
|
|
Loop time of 3.62247 on 4 procs for 400 steps with 2016 atoms
|
|
|
|
Pair time (%) = 2.03831 (56.2684)
|
|
Neigh time (%) = 0.829148 (22.889)
|
|
Comm time (%) = 0.408801 (11.2852)
|
|
Outpt time (%) = 0.00122124 (0.0337129)
|
|
Other time (%) = 0.344991 (9.52363)
|
|
|
|
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 1.9 -3641.4558 -3741.6259 200.24916 19.447339 19.248846
|
|
400 3.9 -3641.3526 -3743.9363 205.0775 19.915921 19.699533
|
|
600 5.8 -3641.375 -3743.2251 203.6111 19.773486 19.612208
|
|
800 8.7 -3641.3598 -3745.7684 208.72769 20.270195 20.147681
|
|
1000 11 -3641.3633 -3744.4804 206.14469 20.01948 20.000916
|
|
1200 13 -3641.3461 -3745.088 207.39643 20.140774 20.048989
|
|
1400 15 -3641.3142 -3744.8632 207.01063 20.103323 20.101701
|
|
1600 17 -3641.3156 -3742.7705 202.82111 19.69678 19.661121
|
|
1800 19 -3641.316 -3743.0731 203.426 19.755441 19.722221
|
|
2000 21 -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 32 -3641.3441 -3741.4297 200.08277 19.430931 19.239953
|
|
3000 34 -3641.3148 -3742.6599 202.602 19.675455 19.709217
|
|
3200 36 -3641.2859 -3742.6672 202.6744 19.68247 19.589857
|
|
3400 38 -3641.3698 -3743.1191 203.41009 19.753928 19.61843
|
|
3600 40 -3641.2872 -3742.8149 202.96721 19.710905 19.636161
|
|
3800 42 -3641.3532 -3741.7567 200.71871 19.492661 19.553996
|
|
4000 44 -3641.3678 -3740.8478 198.87111 19.313344 19.20547
|
|
4200 46 -3641.3412 -3743.3077 203.84569 19.79609 19.758581
|
|
4400 47 -3641.2985 -3743.926 205.16703 19.924421 19.682565
|
|
4600 49 -3641.3583 -3741.5377 200.27113 19.449139 19.459934
|
|
4800 53 -3641.3204 -3742.091 201.45376 19.563917 19.472208
|
|
5000 56 -3641.3593 -3745.2374 207.66855 20.167216 20.028789
|
|
Loop time of 56.0279 on 4 procs for 5000 steps with 2016 atoms
|
|
|
|
Pair time (%) = 26.1422 (46.6593)
|
|
Neigh time (%) = 10.8974 (19.45)
|
|
Comm time (%) = 8.28325 (14.7842)
|
|
Outpt time (%) = 0.0208561 (0.0372245)
|
|
Other time (%) = 10.6841 (19.0693)
|
|
|
|
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
|