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lammps/examples/USER/atc/thermal/no_atoms.screen
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LAMMPS (30 Aug 2013)
units real
atom_style atomic
lattice fcc 5.405 origin 0.25 0.25 0.25
Lattice spacing in x,y,z = 5.405 5.405 5.405
region feRegion block -10 10 -1 1 -1 1
boundary f p p
create_box 1 feRegion
Created orthogonal box = (-54.05 -5.405 -5.405) to (54.05 5.405 5.405)
4 by 1 by 1 MPI processor grid
mass 1 39.95 # need to keep this
atom_modify sort 0 1
region dummyRegion block -100 -99 -1 1 -1 1
group dummy region dummyRegion
0 atoms in group dummy
# ID group atc PhysicsType ParameterFile
fix AtC dummy atc thermal Ar_thermal.mat
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
timestep 5.0
# ID part keywords nx ny nz region
fix_modify AtC mesh create 10 1 1 feRegion f p p
ATC: created uniform mesh with 44 nodes, 11 unique nodes, and 10 elements
# fix end temperatures and an internal source
fix_modify AtC initial temperature all 20.0
fix_modify AtC source temperature all 0.0000000000632
fix_modify AtC mesh create_nodeset lbc -10.1 -9.9 -INF INF -INF INF
ATC: created nodeset lbc with 1 nodes
fix_modify AtC mesh create_nodeset rbc 9.9 10.1 -INF INF -INF INF
ATC: created nodeset rbc with 1 nodes
fix_modify AtC fix temperature lbc 20.
fix_modify AtC fix temperature rbc 20.
fix_modify AtC mesh create_elementset middle -4.1 4.1 -INF INF -INF INF
ATC: created elementset middle with 4 elements
fix_modify AtC material middle Ar2
thermo_style custom step cpu f_AtC[1] f_AtC[2]
fix_modify AtC output no_atomsFE 1000 text binary
ATC: Warning : text output can create _LARGE_ files
ATC: output custom names:
thermo 100
run 10000
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 = 0.432198 Mbytes
Step CPU AtC[1] AtC[2]
0 0 38.154369 20
100 0.071574926 38.998362 20.402191
200 0.14132404 39.827109 20.797116
300 0.211375 40.638112 21.183586
400 0.28134513 41.432837 21.562299
500 0.35163903 42.212497 21.933833
600 0.42165208 42.978107 22.298671
700 0.48984408 43.730523 22.657222
800 0.55781007 44.470481 23.009836
900 0.62593699 45.198615 23.356816
1000 0.69479895 45.915477 23.698425
1100 0.76323414 46.621553 24.034893
1200 0.83138013 47.317274 24.366427
1300 0.89951611 48.003024 24.69321
1400 0.96746898 48.679146 25.015404
1500 1.0355949 49.345952 25.333159
1600 1.103858 50.003724 25.64661
1700 1.172024 50.652719 25.955877
1800 1.240334 51.293174 26.261075
1900 1.3083351 51.925305 26.562306
2000 1.377243 52.549313 26.859667
2100 1.4457769 53.165384 27.153245
2200 1.513485 53.773691 27.443124
2300 1.5810471 54.374397 27.72938
2400 1.6489391 54.967653 28.012086
2500 1.7166669 55.553601 28.29131
2600 1.7844281 56.132378 28.567116
2700 1.8525031 56.70411 28.839565
2800 1.920527 57.268918 29.108715
2900 1.9884491 57.826919 29.37462
3000 2.056906 58.37822 29.637334
3100 2.1255391 58.922929 29.896906
3200 2.1936271 59.461146 30.153384
3300 2.261806 59.992968 30.406815
3400 2.330205 60.518488 30.657243
3500 2.3982592 61.037798 30.90471
3600 2.4663761 61.550983 31.14926
3700 2.534487 62.058128 31.390932
3800 2.6026261 62.559317 31.629765
3900 2.6708071 63.054627 31.865797
4000 2.7395911 63.544138 32.099064
4100 2.808085 64.027924 32.329605
4200 2.876581 64.50606 32.557452
4300 2.94473 64.978617 32.782641
4400 3.0129712 65.445666 33.005206
4500 3.0810931 65.907277 33.225178
4600 3.149297 66.363516 33.442591
4700 3.217499 66.814451 33.657477
4800 3.2857621 67.260145 33.869865
4900 3.354039 67.700665 34.079787
5000 3.4232521 68.136071 34.287272
5100 3.4918191 68.566425 34.492351
5200 3.5601261 68.99179 34.695051
5300 3.6282811 69.412224 34.895401
5400 3.696404 69.827786 35.09343
5500 3.7645571 70.238534 35.289165
5600 3.832932 70.644525 35.482634
5700 3.901087 71.045816 35.673862
5800 3.9690711 71.442462 35.862877
5900 4.037169 71.834517 36.049704
6000 4.1062601 72.222037 36.23437
6100 4.1745801 72.605073 36.4169
6200 4.242645 72.983679 36.597318
6300 4.3105299 73.357906 36.77565
6400 4.3783519 73.727806 36.951919
6500 4.4461842 74.093429 37.12615
6600 4.5140231 74.454825 37.298367
6700 4.5818961 74.812042 37.468594
6800 4.649792 75.165131 37.636852
6900 4.7177529 75.514139 37.803166
7000 4.7863381 75.859112 37.967557
7100 4.8755491 76.200099 38.130048
7200 5.089819 76.537145 38.290662
7300 5.2264071 76.870297 38.44942
7400 5.3846331 77.199598 38.606343
7500 5.482861 77.525095 38.761453
7600 5.5512559 77.84683 38.91477
7700 5.6197481 78.164848 39.066317
7800 5.6880691 78.479192 39.216112
7900 5.7560241 78.789904 39.364176
8000 5.8247449 79.097027 39.51053
8100 5.893259 79.400601 39.655193
8200 5.9616351 79.700668 39.798185
8300 6.029727 79.997268 39.939525
8400 6.098017 80.290442 40.079232
8500 6.166209 80.580229 40.217325
8600 6.234247 80.866668 40.353823
8700 6.302552 81.149798 40.488744
8800 6.37078 81.429658 40.622106
8900 6.4394131 81.706285 40.753928
9000 6.5086281 81.979716 40.884227
9100 6.577282 82.249989 41.013021
9200 6.6454921 82.517139 41.140327
9300 6.7137671 82.781204 41.266162
9400 6.782079 83.042218 41.390544
9500 6.8503711 83.300217 41.51349
9600 6.9185381 83.555236 41.635014
9700 6.9867961 83.807309 41.755136
9800 7.055136 84.056471 41.873869
9900 7.123524 84.302754 41.991231
10000 7.1924059 84.546192 42.107238
Loop time of 7.19275 on 4 procs for 10000 steps with 0 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00611299 (0.0849883)
Outpt time (%) = 0.03843 (0.534289)
Other time (%) = 7.1482 (99.3807)
Nlocal: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Total # of neighbors = 0
Neighbor list builds = 0
Dangerous builds = 0
fix_modify AtC remove_source temperature all
fix_modify AtC unfix temperature rbc
fix_modify AtC fix temperature all 20.
run 1
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 = 0.432198 Mbytes
Step CPU AtC[1] AtC[2]
10000 0 84.546192 42.107238
10001 0.00076985359 38.154369 20
Loop time of 0.00110155 on 4 procs for 1 steps with 0 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 7.15256e-07 (0.0649316)
Outpt time (%) = 0.000330746 (30.0254)
Other time (%) = 0.000770092 (69.9096)
Nlocal: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Total # of neighbors = 0
Neighbor list builds = 0
Dangerous builds = 0
fix_modify AtC unfix temperature all
reset_timestep 0
# fix one end temperature and the a source at the other
fix_modify AtC fix temperature lbc 20.
fix_modify AtC mesh create_faceset rbcFace plane x 10.0
ATC: created faceset rbcFace with 1 faces
fix_modify AtC fix_flux temperature rbcFace 0.000000001
fix_modify AtC output no_atoms_flux_FE 1000 text binary # NOTE not used
ATC: Warning : text output can create _LARGE_ files
ATC: output custom names:
thermo 100
run 10000
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 = 0.432198 Mbytes
Step CPU AtC[1] AtC[2]
0 0 38.154369 20
100 0.076555014 38.293317 20.125706
200 0.15312886 38.432963 20.241114
300 0.22958493 38.57261 20.348568
400 0.30599785 38.712256 20.45016
500 0.38263202 38.851902 20.547358
600 0.45887995 38.991549 20.641205
700 0.53491402 39.131195 20.732446
800 0.61095786 39.270841 20.821625
900 0.68677187 39.410488 20.90914
1000 0.76356101 39.550134 20.99529
1100 0.83993888 39.68978 21.080301
1200 0.91612101 39.829426 21.164346
1300 0.9921639 39.969071 21.247561
1400 1.0681589 40.108714 21.330051
1500 1.1443028 40.248357 21.411904
1600 1.2203939 40.387997 21.493188
1700 1.296289 40.527634 21.57396
1800 1.372262 40.667266 21.654269
1900 1.448087 40.806892 21.734154
2000 1.5245638 40.946511 21.813649
2100 1.5997019 41.08612 21.892782
2200 1.674933 41.225716 21.971578
2300 1.74998 41.365298 22.050059
2400 1.824966 41.504861 22.128243
2500 1.8999689 41.644403 22.206146
2600 1.9749758 41.78392 22.283782
2700 2.0499859 41.923408 22.361164
2800 2.1250739 42.062861 22.438302
2900 2.2002249 42.202276 22.515205
3000 2.2761948 42.341647 22.591883
3100 2.3518028 42.480969 22.668342
3200 2.4274728 42.620236 22.744588
3300 2.5031219 42.759443 22.820628
3400 2.5787249 42.898584 22.896465
3500 2.6548278 43.037652 22.972105
3600 2.7318728 43.176641 23.047551
3700 2.806936 43.315544 23.122806
3800 2.8817389 43.454355 23.197872
3900 2.956501 43.593068 23.272753
4000 3.0320208 43.731674 23.347449
4100 3.1083419 43.870169 23.421963
4200 3.1843019 44.008544 23.496296
4300 3.260201 44.146792 23.570449
4400 3.336061 44.284907 23.644422
4500 3.4113328 44.422882 23.718217
4600 3.4855959 44.56071 23.791833
4700 3.559768 44.698385 23.865272
4800 3.6345718 44.835898 23.938532
4900 3.7088449 44.973245 24.011614
5000 3.783715 45.110417 24.084519
5100 3.8586569 45.247409 24.157245
5200 3.9334989 45.384214 24.229793
5300 4.008328 45.520826 24.302161
5400 4.083256 45.657238 24.37435
5500 4.158231 45.793445 24.44636
5600 4.2330759 45.92944 24.518189
5700 4.3078279 46.065217 24.589837
5800 4.3823259 46.200772 24.661303
5900 4.456614 46.336097 24.732587
6000 4.531626 46.471189 24.803688
6100 4.6070759 46.60604 24.874606
6200 4.682158 46.740647 24.94534
6300 4.7572029 46.875004 25.015889
6400 4.8321478 47.009107 25.086252
6500 4.907202 47.14295 25.156429
6600 4.982512 47.276528 25.22642
6700 5.057462 47.409838 25.296223
6800 5.132514 47.542875 25.365838
6900 5.2074189 47.675634 25.435265
7000 5.2830179 47.808113 25.504502
7100 5.3574829 47.940306 25.57355
7200 5.4317138 48.072209 25.642407
7300 5.505924 48.20382 25.711073
7400 5.5796659 48.335135 25.779548
7500 5.6538038 48.46615 25.847831
7600 5.72785 48.596861 25.915922
7700 5.8017068 48.727267 25.98382
7800 5.8753419 48.857363 26.051525
7900 5.9490888 48.987147 26.119036
8000 6.0236459 49.116615 26.186353
8100 6.0989349 49.245766 26.253475
8200 6.1741898 49.374597 26.320403
8300 6.2491179 49.503104 26.387136
8400 6.3239679 49.631286 26.453674
8500 6.398454 49.759141 26.520016
8600 6.473027 49.886666 26.586162
8700 6.5473979 50.013859 26.652112
8800 6.6218309 50.140719 26.717866
8900 6.696429 50.267243 26.783423
9000 6.772208 50.393429 26.848784
9100 6.8467579 50.519276 26.913949
9200 6.9207659 50.644783 26.978916
9300 6.994838 50.769947 27.043687
9400 7.0686338 50.894768 27.10826
9500 7.1424768 51.019243 27.172637
9600 7.2164509 51.143372 27.236816
9700 7.2902298 51.267153 27.300799
9800 7.3642149 51.390586 27.364584
9900 7.4384868 51.513669 27.428173
10000 7.5135789 51.636401 27.491564
Loop time of 7.51392 on 4 procs for 10000 steps with 0 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00633544 (0.0843161)
Outpt time (%) = 0.0327743 (0.436182)
Other time (%) = 7.47481 (99.4795)
Nlocal: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Total # of neighbors = 0
Neighbor list builds = 0
Dangerous builds = 0
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