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lammps/examples/USER/atc/thermal/no_atoms.screen
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LAMMPS (24 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 0.10988402 38.998362 20.402191
200 0.18002009 39.827109 20.797116
300 0.25019503 40.638112 21.183586
400 0.3500421 41.432837 21.562299
500 0.42959404 42.212497 21.933833
600 0.5197742 42.978107 22.298671
700 0.62998319 43.730523 22.657222
800 0.71018314 44.470481 23.009836
900 0.77984905 45.198615 23.356816
1000 0.88991404 45.915477 23.698425
1100 1.0097251 46.621553 24.034893
1200 1.10958 47.317274 24.366427
1300 1.1903272 48.003024 24.69321
1400 1.280524 48.679146 25.015404
1500 1.3504851 49.345952 25.333159
1600 1.450227 50.003724 25.64661
1700 1.539855 50.652719 25.955877
1800 1.629755 51.293174 26.261075
1900 1.7001801 51.925305 26.562306
2000 1.7714632 52.549313 26.859667
2100 1.8522642 53.165384 27.153245
2200 1.9229672 53.773691 27.443124
2300 1.9931431 54.374397 27.72938
2400 2.0731761 54.967653 28.012086
2500 2.1432302 55.553601 28.29131
2600 2.213938 56.132378 28.567116
2700 2.2939332 56.70411 28.839565
2800 2.3632891 57.268918 29.108715
2900 2.4337151 57.826919 29.37462
3000 2.5050411 58.37822 29.637334
3100 2.6255682 58.922929 29.896906
3200 2.7059062 59.461146 30.153384
3300 2.785763 59.992968 30.406815
3400 2.9055982 60.518488 30.657243
3500 2.9757631 61.037798 30.90471
3600 3.0700681 61.550983 31.14926
3700 3.1796701 62.058128 31.390932
3800 3.2491601 62.559317 31.629765
3900 3.3289711 63.054627 31.865797
4000 3.439501 63.544138 32.099064
4100 3.5092051 64.027924 32.329605
4200 3.5788491 64.50606 32.557452
4300 3.6480992 64.978617 32.782641
4400 3.7176712 65.445666 33.005206
4500 3.7871931 65.907277 33.225178
4600 3.8568082 66.363516 33.442591
4700 3.9262221 66.814451 33.657477
4800 3.9956892 67.260145 33.869865
4900 4.065439 67.700665 34.079787
5000 4.135859 68.136071 34.287272
5100 4.2069311 68.566425 34.492351
5200 4.2772791 68.99179 34.695051
5300 4.347291 69.412224 34.895401
5400 4.4871161 69.827786 35.09343
5500 4.5970271 70.238534 35.289165
5600 4.6663022 70.644525 35.482634
5700 4.7459741 71.045816 35.673862
5800 4.8404741 71.442462 35.862877
5900 4.9797471 71.834517 36.049704
6000 5.0493982 72.222037 36.23437
6100 5.1386342 72.605073 36.4169
6200 5.2079122 72.983679 36.597318
6300 5.3069861 73.357906 36.77565
6400 5.405997 73.727806 36.951919
6500 5.5497971 74.093429 37.12615
6600 5.6536272 74.454825 37.298367
6700 6.3586411 74.812042 37.468594
6800 7.0960011 75.165131 37.636852
6900 7.1657741 75.514139 37.803166
7000 7.2358701 75.859112 37.967557
7100 7.333461 76.200099 38.130048
7200 7.4133751 76.537145 38.290662
7300 7.4831722 76.870297 38.44942
7400 7.5530291 77.199598 38.606343
7500 7.6233151 77.525095 38.761453
7600 7.6935542 77.84683 38.91477
7700 7.8038261 78.164848 39.066317
7800 7.8839772 78.479192 39.216112
7900 7.984436 78.789904 39.364176
8000 8.0855181 79.097027 39.51053
8100 8.1658111 79.400601 39.655193
8200 8.276947 79.700668 39.798185
8300 8.3477352 79.997268 39.939525
8400 8.450454 80.290442 40.079232
8500 8.5504851 80.580229 40.217325
8600 8.6404471 80.866668 40.353823
8700 8.7112231 81.149798 40.488744
8800 8.781656 81.429658 40.622106
8900 8.8515871 81.706285 40.753928
9000 8.9351232 81.979716 40.884227
9100 9.0895321 82.249989 41.013021
9200 9.2302101 82.517139 41.140327
9300 9.445009 82.781204 41.266162
9400 9.558928 83.042218 41.390544
9500 9.6279421 83.300217 41.51349
9600 9.6972361 83.555236 41.635014
9700 9.766896 83.807309 41.755136
9800 9.8363552 84.056471 41.873869
9900 9.9055252 84.302754 41.991231
10000 9.975409 84.546192 42.107238
Loop time of 9.97576 on 4 procs for 10000 steps with 0 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0.0113209 (0.113485)
Outpt time (%) = 0.0676659 (0.678303)
Other time (%) = 9.89678 (99.2082)
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 0.00073695183 38.154369 20
Loop time of 0.00111771 on 4 procs for 1 steps with 0 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 5.36442e-07 (0.0479949)
Outpt time (%) = 0.000380337 (34.0284)
Other time (%) = 0.000736833 (65.9236)
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 0.075403929 38.293317 20.125706
200 0.15124011 38.432963 20.241114
300 0.22688198 38.57261 20.348568
400 0.30210996 38.712256 20.45016
500 0.377527 38.851902 20.547358
600 0.4529829 38.991549 20.641205
700 0.5284071 39.131195 20.732446
800 0.60397506 39.270841 20.821625
900 0.6793499 39.410488 20.90914
1000 0.75587296 39.550134 20.99529
1100 0.83239913 39.68978 21.080301
1200 0.90796304 39.829426 21.164346
1300 0.98343205 39.969071 21.247561
1400 1.058938 40.108714 21.330051
1500 1.134753 40.248357 21.411904
1600 1.2107069 40.387997 21.493188
1700 1.2868299 40.527634 21.57396
1800 1.3631241 40.667266 21.654269
1900 1.439023 40.806892 21.734154
2000 1.51547 40.946511 21.813649
2100 1.591738 41.08612 21.892782
2200 1.668088 41.225716 21.971578
2300 1.74417 41.365298 22.050059
2400 1.820209 41.504861 22.128243
2500 1.896955 41.644403 22.206146
2600 1.973805 41.78392 22.283782
2700 2.050849 41.923408 22.361164
2800 2.127928 42.062861 22.438302
2900 2.204653 42.202276 22.515205
3000 2.2811849 42.341647 22.591883
3100 2.358217 42.480969 22.668342
3200 2.43506 42.620236 22.744588
3300 2.5112221 42.759443 22.820628
3400 2.58763 42.898584 22.896465
3500 2.6644299 43.037652 22.972105
3600 2.7405641 43.176641 23.047551
3700 2.8158469 43.315544 23.122806
3800 2.8913491 43.454355 23.197872
3900 2.9670031 43.593068 23.272753
4000 3.0433021 43.731674 23.347449
4100 3.118886 43.870169 23.421963
4200 3.194695 44.008544 23.496296
4300 3.2702451 44.146792 23.570449
4400 3.3457069 44.284907 23.644422
4500 3.421104 44.422882 23.718217
4600 3.4963059 44.56071 23.791833
4700 3.572499 44.698385 23.865272
4800 3.6492651 44.835898 23.938532
4900 3.7257099 44.973245 24.011614
5000 3.8029001 45.110417 24.084519
5100 3.950232 45.247409 24.157245
5200 4.0466921 45.384214 24.229793
5300 4.1231129 45.520826 24.302161
5400 4.198988 45.657238 24.37435
5500 4.2748411 45.793445 24.44636
5600 4.3522761 45.92944 24.518189
5700 4.4282241 46.065217 24.589837
5800 4.5045691 46.200772 24.661303
5900 4.6302969 46.336097 24.732587
6000 4.756777 46.471189 24.803688
6100 4.833313 46.60604 24.874606
6200 4.9091649 46.740647 24.94534
6300 4.984854 46.875004 25.015889
6400 5.0603411 47.009107 25.086252
6500 5.1356781 47.14295 25.156429
6600 5.211015 47.276528 25.22642
6700 5.28636 47.409838 25.296223
6800 5.361881 47.542875 25.365838
6900 5.4371951 47.675634 25.435265
7000 5.523371 47.808113 25.504502
7100 5.599401 47.940306 25.57355
7200 5.6758499 48.072209 25.642407
7300 5.761502 48.20382 25.711073
7400 5.8771701 48.335135 25.779548
7500 6.0332701 48.46615 25.847831
7600 6.1792631 48.596861 25.915922
7700 6.3148651 48.727267 25.98382
7800 6.3911769 48.857363 26.051525
7900 6.4671431 48.987147 26.119036
8000 6.543324 49.116615 26.186353
8100 6.6188731 49.245766 26.253475
8200 6.7545891 49.374597 26.320403
8300 6.830564 49.503104 26.387136
8400 6.916811 49.631286 26.453674
8500 7.0426531 49.759141 26.520016
8600 7.188482 49.886666 26.586162
8700 7.3517201 50.013859 26.652112
8800 7.427407 50.140719 26.717866
8900 7.5034549 50.267243 26.783423
9000 7.6445961 50.393429 26.848784
9100 7.7509179 50.519276 26.913949
9200 7.82728 50.644783 26.978916
9300 7.903758 50.769947 27.043687
9400 7.9800031 50.894768 27.10826
9500 8.0556631 51.019243 27.172637
9600 8.1312621 51.143372 27.236816
9700 8.2068861 51.267153 27.300799
9800 8.2825811 51.390586 27.364584
9900 8.35812 51.513669 27.428173
10000 8.4443159 51.636401 27.491564
Loop time of 8.44465 on 4 procs for 10000 steps with 0 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00618571 (0.0732501)
Outpt time (%) = 0.043808 (0.518767)
Other time (%) = 8.39465 (99.408)
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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