git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@23 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
100
examples/rigid/data.rigid
Normal file
100
examples/rigid/data.rigid
Normal file
@ -0,0 +1,100 @@
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||||
# LAMMPS data file for rigid bodies
|
||||
|
||||
81 atoms
|
||||
1 atom types
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||||
|
||||
-12 12 xlo xhi
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||||
-12 12 ylo yhi
|
||||
-12 12 zlo zhi
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||||
|
||||
Masses
|
||||
|
||||
1 1
|
||||
|
||||
Pair Coeffs
|
||||
|
||||
1 1 1
|
||||
|
||||
Atoms
|
||||
|
||||
1 1 0 0 0
|
||||
2 1 0 1 0
|
||||
3 1 0 0.5 0
|
||||
4 1 0.5 0 0
|
||||
5 1 0.5 0.5 1
|
||||
6 1 1 0.5 0
|
||||
7 1 0.5 1 0
|
||||
8 1 1 0 0
|
||||
9 1 1 1 0
|
||||
10 1 2 1 0
|
||||
11 1 1 2 0
|
||||
12 1 1.5 2 0
|
||||
13 1 1.5 1 0
|
||||
14 1 1 1.5 0
|
||||
15 1 1.5 1.5 1
|
||||
16 1 2 1.5 0
|
||||
17 1 2 2 0
|
||||
18 1 2 3 0
|
||||
19 1 2 2.5 0
|
||||
20 1 2.5 2 0
|
||||
21 1 2.5 2.5 1
|
||||
22 1 3 2.5 0
|
||||
23 1 2.5 3 0
|
||||
24 1 3 2 0
|
||||
25 1 3 3 0
|
||||
26 1 4 3 0
|
||||
27 1 3 4 0
|
||||
28 1 3.5 4 0
|
||||
29 1 3.5 3 0
|
||||
30 1 3 3.5 0
|
||||
31 1 3.5 3.5 1
|
||||
32 1 4 3.5 0
|
||||
33 1 4 4 0
|
||||
34 1 4 5 0
|
||||
35 1 4 4.5 0
|
||||
36 1 4.5 4 0
|
||||
37 1 4.5 4.5 1
|
||||
38 1 5 4.5 0
|
||||
39 1 4.5 5 0
|
||||
40 1 5 4 0
|
||||
41 1 5 5 0
|
||||
42 1 6 5 0
|
||||
43 1 5 6 0
|
||||
44 1 5.5 6 0
|
||||
45 1 5.5 5 0
|
||||
46 1 5 5.5 0
|
||||
47 1 5.5 5.5 1
|
||||
48 1 6 5.5 0
|
||||
49 1 6 6 0
|
||||
50 1 6 7 0
|
||||
51 1 6 6.5 0
|
||||
52 1 6.5 6 0
|
||||
53 1 6.5 6.5 1
|
||||
54 1 7 6.5 0
|
||||
55 1 6.5 7 0
|
||||
56 1 7 6 0
|
||||
57 1 7 7 0
|
||||
58 1 8 7 0
|
||||
59 1 7 8 0
|
||||
60 1 7.5 8 0
|
||||
61 1 7.5 7 0
|
||||
62 1 7 7.5 0
|
||||
63 1 7.5 7.5 1
|
||||
64 1 8 7.5 0
|
||||
65 1 8 8 0
|
||||
66 1 8 9 0
|
||||
67 1 8 8.5 0
|
||||
68 1 8.5 8 0
|
||||
69 1 8.5 8.5 1
|
||||
70 1 9 8.5 0
|
||||
71 1 8.5 9 0
|
||||
72 1 9 8 0
|
||||
73 1 9 9 0
|
||||
74 1 10 9 0
|
||||
75 1 9 10 0
|
||||
76 1 9.5 10 0
|
||||
77 1 9.5 9 0
|
||||
78 1 9 9.5 0
|
||||
79 1 9.5 9.5 1
|
||||
80 1 10 9.5 0
|
||||
81 1 10 10 0
|
||||
72
examples/rigid/in.rigid
Normal file
72
examples/rigid/in.rigid
Normal file
@ -0,0 +1,72 @@
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# Simple rigid body system
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
|
||||
read_data data.rigid
|
||||
|
||||
velocity all create 100.0 4928459
|
||||
|
||||
# unconnected bodies
|
||||
|
||||
group clump1 id <> 1 9
|
||||
group clump2 id <> 10 18
|
||||
group clump3 id <> 19 27
|
||||
group clump4 id <> 28 36
|
||||
group clump5 id <> 37 45
|
||||
group clump6 id <> 46 54
|
||||
group clump7 id <> 55 63
|
||||
group clump8 id <> 64 72
|
||||
group clump9 id <> 73 81
|
||||
|
||||
fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 &
|
||||
clump6 clump7 clump8 clump9
|
||||
|
||||
# 1 chain of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 36 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 &
|
||||
# clump6 clump7 clump8 clump9
|
||||
|
||||
# 2 chains of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4
|
||||
#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
|
||||
|
||||
neigh_modify exclude group clump1 clump1
|
||||
neigh_modify exclude group clump2 clump2
|
||||
neigh_modify exclude group clump3 clump3
|
||||
neigh_modify exclude group clump4 clump4
|
||||
neigh_modify exclude group clump5 clump5
|
||||
neigh_modify exclude group clump6 clump6
|
||||
neigh_modify exclude group clump7 clump7
|
||||
neigh_modify exclude group clump8 clump8
|
||||
neigh_modify exclude group clump9 clump9
|
||||
|
||||
thermo 100
|
||||
dump 1 all atom 50 dump.rigid
|
||||
|
||||
timestep 0.0001
|
||||
thermo 50
|
||||
run 10000
|
||||
72
examples/rigid/in.rigid.poems
Normal file
72
examples/rigid/in.rigid.poems
Normal file
@ -0,0 +1,72 @@
|
||||
# Simple rigid body system
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
|
||||
read_data data.rigid
|
||||
|
||||
velocity all create 100.0 4928459
|
||||
|
||||
# unconnected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 10 18
|
||||
#group clump3 id <> 19 27
|
||||
#group clump4 id <> 28 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 46 54
|
||||
#group clump7 id <> 55 63
|
||||
#group clump8 id <> 64 72
|
||||
#group clump9 id <> 73 81
|
||||
|
||||
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 &
|
||||
# clump6 clump7 clump8 clump9
|
||||
|
||||
# 1 chain of connected bodies
|
||||
|
||||
group clump1 id <> 1 9
|
||||
group clump2 id <> 9 18
|
||||
group clump3 id <> 18 27
|
||||
group clump4 id <> 27 36
|
||||
group clump5 id <> 36 45
|
||||
group clump6 id <> 45 54
|
||||
group clump7 id <> 54 63
|
||||
group clump8 id <> 63 72
|
||||
group clump9 id <> 72 81
|
||||
|
||||
fix 1 all poems group clump1 clump2 clump3 clump4 clump5 &
|
||||
clump6 clump7 clump8 clump9
|
||||
|
||||
# 2 chains of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4
|
||||
#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
|
||||
|
||||
neigh_modify exclude group clump1 clump1
|
||||
neigh_modify exclude group clump2 clump2
|
||||
neigh_modify exclude group clump3 clump3
|
||||
neigh_modify exclude group clump4 clump4
|
||||
neigh_modify exclude group clump5 clump5
|
||||
neigh_modify exclude group clump6 clump6
|
||||
neigh_modify exclude group clump7 clump7
|
||||
neigh_modify exclude group clump8 clump8
|
||||
neigh_modify exclude group clump9 clump9
|
||||
|
||||
thermo 100
|
||||
dump 1 all atom 50 dump.rigid
|
||||
|
||||
timestep 0.0001
|
||||
thermo 50
|
||||
run 10000
|
||||
72
examples/rigid/in.rigid.poems2
Normal file
72
examples/rigid/in.rigid.poems2
Normal file
@ -0,0 +1,72 @@
|
||||
# Simple rigid body system
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
|
||||
read_data data.rigid
|
||||
|
||||
velocity all create 100.0 4928459
|
||||
|
||||
# unconnected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 10 18
|
||||
#group clump3 id <> 19 27
|
||||
#group clump4 id <> 28 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 46 54
|
||||
#group clump7 id <> 55 63
|
||||
#group clump8 id <> 64 72
|
||||
#group clump9 id <> 73 81
|
||||
|
||||
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 &
|
||||
# clump6 clump7 clump8 clump9
|
||||
|
||||
# 1 chain of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 36 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 &
|
||||
# clump6 clump7 clump8 clump9
|
||||
|
||||
# 2 chains of connected bodies
|
||||
|
||||
group clump1 id <> 1 9
|
||||
group clump2 id <> 9 18
|
||||
group clump3 id <> 18 27
|
||||
group clump4 id <> 27 36
|
||||
group clump5 id <> 37 45
|
||||
group clump6 id <> 45 54
|
||||
group clump7 id <> 54 63
|
||||
group clump8 id <> 63 72
|
||||
group clump9 id <> 72 81
|
||||
|
||||
fix 1 all poems group clump1 clump2 clump3 clump4
|
||||
fix 2 all poems group clump5 clump6 clump7 clump8 clump9
|
||||
|
||||
neigh_modify exclude group clump1 clump1
|
||||
neigh_modify exclude group clump2 clump2
|
||||
neigh_modify exclude group clump3 clump3
|
||||
neigh_modify exclude group clump4 clump4
|
||||
neigh_modify exclude group clump5 clump5
|
||||
neigh_modify exclude group clump6 clump6
|
||||
neigh_modify exclude group clump7 clump7
|
||||
neigh_modify exclude group clump8 clump8
|
||||
neigh_modify exclude group clump9 clump9
|
||||
|
||||
thermo 100
|
||||
dump 1 all atom 50 dump.rigid
|
||||
|
||||
timestep 0.0001
|
||||
thermo 50
|
||||
run 10000
|
||||
305
examples/rigid/log.rigid.1Oct06.liberty.4
Normal file
305
examples/rigid/log.rigid.1Oct06.liberty.4
Normal file
@ -0,0 +1,305 @@
|
||||
LAMMPS (1 Oct 2006)
|
||||
# Simple rigid body system
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
|
||||
read_data data.rigid
|
||||
1 by 2 by 2 processor grid
|
||||
81 atoms
|
||||
|
||||
velocity all create 100.0 4928459
|
||||
|
||||
# unconnected bodies
|
||||
|
||||
group clump1 id <> 1 9
|
||||
9 atoms in group clump1
|
||||
group clump2 id <> 10 18
|
||||
9 atoms in group clump2
|
||||
group clump3 id <> 19 27
|
||||
9 atoms in group clump3
|
||||
group clump4 id <> 28 36
|
||||
9 atoms in group clump4
|
||||
group clump5 id <> 37 45
|
||||
9 atoms in group clump5
|
||||
group clump6 id <> 46 54
|
||||
9 atoms in group clump6
|
||||
group clump7 id <> 55 63
|
||||
9 atoms in group clump7
|
||||
group clump8 id <> 64 72
|
||||
9 atoms in group clump8
|
||||
group clump9 id <> 73 81
|
||||
9 atoms in group clump9
|
||||
|
||||
fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 clump6 clump7 clump8 clump9
|
||||
9 rigid bodies with 81 atoms
|
||||
|
||||
# 1 chain of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 36 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
|
||||
|
||||
# 2 chains of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4
|
||||
#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
|
||||
|
||||
neigh_modify exclude group clump1 clump1
|
||||
neigh_modify exclude group clump2 clump2
|
||||
neigh_modify exclude group clump3 clump3
|
||||
neigh_modify exclude group clump4 clump4
|
||||
neigh_modify exclude group clump5 clump5
|
||||
neigh_modify exclude group clump6 clump6
|
||||
neigh_modify exclude group clump7 clump7
|
||||
neigh_modify exclude group clump8 clump8
|
||||
neigh_modify exclude group clump9 clump9
|
||||
|
||||
thermo 100
|
||||
dump 1 all atom 50 dump.rigid
|
||||
|
||||
timestep 0.0001
|
||||
thermo 50
|
||||
run 10000
|
||||
Memory usage per processor = 1.41814 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 115.29439 5235.9179 0 5272.2142 -2.7403788
|
||||
50 14910.685 571.71558 0 5265.82 32.006171
|
||||
100 16298.442 136.66184 0 5267.653 16.444229
|
||||
150 16682.606 17.490511 0 5269.4219 14.900344
|
||||
200 16733.929 1.372872 0 5269.4617 14.569267
|
||||
250 16738.853 -0.15252816 0 5269.4864 14.496404
|
||||
300 16738.588 -0.055171335 0 5269.5002 14.496025
|
||||
350 16738.492 -0.017444677 0 5269.5077 14.496446
|
||||
400 16738.464 -0.0060102023 0 5269.5104 14.496618
|
||||
450 16738.455 -0.0012713351 0 5269.5124 14.496701
|
||||
500 16738.455 -0.00081068621 0 5269.5128 14.496709
|
||||
550 16738.455 -0.00083203497 0 5269.5129 14.496707
|
||||
600 16738.455 -0.00058355356 0 5269.5131 14.496709
|
||||
650 16738.455 -0.00047226704 0 5269.5131 14.496708
|
||||
700 16738.455 0 0 5269.5136 14.496713
|
||||
750 16738.455 0 0 5269.5136 14.49671
|
||||
800 16738.455 0 0 5269.5137 14.496709
|
||||
850 16738.455 0 0 5269.5137 14.49671
|
||||
900 16738.456 0 0 5269.5138 14.496713
|
||||
950 16738.462 -0.0035323872 0 5269.5122 14.496671
|
||||
1000 16738.586 -0.051135144 0 5269.5036 14.496229
|
||||
1050 16737.358 0.32995057 0 5269.4981 14.525763
|
||||
1100 16737.892 0.16210246 0 5269.4984 14.531983
|
||||
1150 16738.703 -0.089235095 0 5269.5025 14.509899
|
||||
1200 16738.466 -0.0075446243 0 5269.5096 14.510615
|
||||
1250 16738.456 0 0 5269.514 14.510704
|
||||
1300 16738.457 0 0 5269.5141 14.510701
|
||||
1350 16738.457 0 0 5269.5141 14.510699
|
||||
1400 16738.457 -0.00044736511 0 5269.5138 14.510693
|
||||
1450 16738.458 -0.0010971179 0 5269.5134 14.510687
|
||||
1500 16738.458 -0.00057885428 0 5269.5139 14.510698
|
||||
1550 16738.457 0 0 5269.5143 14.51071
|
||||
1600 16738.457 0 0 5269.5144 14.510712
|
||||
1650 16738.457 0 0 5269.5144 14.510712
|
||||
1700 16738.458 0 0 5269.5144 14.51071
|
||||
1750 16738.458 0 0 5269.5145 14.510708
|
||||
1800 16738.458 0 0 5269.5145 14.510706
|
||||
1850 16738.458 0 0 5269.5146 14.510705
|
||||
1900 16738.458 0 0 5269.5146 14.510706
|
||||
1950 16738.465 -0.0031733615 0 5269.5134 14.510659
|
||||
2000 16738.491 -0.013255268 0 5269.5117 14.510532
|
||||
2050 16738.556 -0.0365811 0 5269.5087 14.51029
|
||||
2100 16738.633 -0.063209659 0 5269.5065 14.510219
|
||||
2150 16738.607 -0.05601761 0 5269.5055 14.510231
|
||||
2200 16738.557 -0.038423032 0 5269.5072 14.510404
|
||||
2250 16738.515 -0.023709918 0 5269.5088 14.510539
|
||||
2300 16738.489 -0.013249035 0 5269.5111 14.510621
|
||||
2350 16738.468 -0.0045563719 0 5269.5131 14.510714
|
||||
2400 16738.46 -0.00052194273 0 5269.5146 14.510771
|
||||
2450 16738.464 -0.0023259756 0 5269.514 14.510746
|
||||
2500 16738.468 -0.0051929186 0 5269.5127 14.510731
|
||||
2550 16738.581 -0.044940117 0 5269.5085 14.510315
|
||||
2600 16738.427 -7.9722842e-05 0 5269.5046 14.510657
|
||||
2650 16733.017 1.705148 0 5269.5067 14.596295
|
||||
2700 16738.761 -0.10614946 0 5269.5038 14.499584
|
||||
2750 16733.973 1.4038179 0 5269.5064 14.598107
|
||||
2800 16738.585 -0.046813448 0 5269.5076 14.511073
|
||||
2850 16738.487 -0.012558719 0 5269.5111 14.510111
|
||||
2900 16738.465 -0.0026252725 0 5269.514 14.510277
|
||||
2950 16738.476 -0.0082220764 0 5269.512 14.510223
|
||||
3000 16738.66 -0.071284779 0 5269.507 14.509758
|
||||
3050 16715.332 7.2419351 0 5269.476 14.870305
|
||||
3100 16653.226 26.818761 0 5269.5009 14.496764
|
||||
3150 16739.351 -0.30690375 0 5269.4886 13.643904
|
||||
3200 16733.238 1.6025328 0 5269.4737 12.016934
|
||||
3250 16734.374 1.2554429 0 5269.4841 11.963561
|
||||
3300 16732.156 1.9585967 0 5269.4893 12.234024
|
||||
3350 16738.655 -0.079693236 0 5269.497 12.092757
|
||||
3400 16738.543 -0.042215005 0 5269.4991 12.092809
|
||||
3450 16738.591 -0.059327511 0 5269.4972 12.092536
|
||||
3500 16738.759 -0.11761245 0 5269.4918 12.09203
|
||||
3550 16713.405 7.8460621 0 5269.4737 12.389816
|
||||
3600 16734.939 1.0821936 0 5269.4891 12.173591
|
||||
3650 16738.808 -0.13663194 0 5269.4882 12.027009
|
||||
3700 16738.602 -0.070934368 0 5269.4889 12.025288
|
||||
3750 16737.731 0.20706558 0 5269.4927 12.061948
|
||||
3800 16738.578 -0.05582043 0 5269.4965 12.035665
|
||||
3850 16738.471 -0.016307928 0 5269.5024 12.035302
|
||||
3900 16738.449 -0.0058182199 0 5269.5059 12.035401
|
||||
3950 16738.439 -0.0012027325 0 5269.5074 12.035461
|
||||
4000 16738.436 -0.00020698452 0 5269.5075 12.035469
|
||||
4050 16738.437 0 0 5269.5078 12.035454
|
||||
4100 16738.437 0 0 5269.508 12.035435
|
||||
4150 16738.438 0 0 5269.5081 12.035426
|
||||
4200 16738.438 0 0 5269.5083 12.035432
|
||||
4250 16738.439 0 0 5269.5085 12.035447
|
||||
4300 16738.439 0 0 5269.5086 12.035463
|
||||
4350 16738.44 0 0 5269.5087 12.035474
|
||||
4400 16738.44 0 0 5269.5088 12.035478
|
||||
4450 16738.44 0 0 5269.5089 12.035474
|
||||
4500 16738.44 0 0 5269.509 12.035462
|
||||
4550 16738.441 0 0 5269.5092 12.035449
|
||||
4600 16738.441 0 0 5269.5093 12.035445
|
||||
4650 16738.442 0 0 5269.5095 12.035451
|
||||
4700 16738.442 0 0 5269.5096 12.03546
|
||||
4750 16738.443 0 0 5269.5097 12.035465
|
||||
4800 16738.443 0 0 5269.5098 12.035466
|
||||
4850 16738.443 0 0 5269.51 12.035463
|
||||
4900 16738.444 0 0 5269.5101 12.035456
|
||||
4950 16738.444 0 0 5269.5102 12.035447
|
||||
5000 16738.445 0 0 5269.5104 12.03544
|
||||
5050 16738.445 0 0 5269.5105 12.035442
|
||||
5100 16738.446 0 0 5269.5107 12.035455
|
||||
5150 16738.446 0 0 5269.5108 12.03547
|
||||
5200 16738.446 0 0 5269.5109 12.035479
|
||||
5250 16738.447 0 0 5269.511 12.035479
|
||||
5300 16738.447 0 0 5269.5111 12.03547
|
||||
5350 16738.447 0 0 5269.5112 12.035454
|
||||
5400 16738.448 0 0 5269.5113 12.035434
|
||||
5450 16738.448 0 0 5269.5115 12.03542
|
||||
5500 16738.449 0 0 5269.5117 12.035422
|
||||
5550 16738.457 -0.0030919234 0 5269.5111 12.035383
|
||||
5600 16738.51 -0.021618357 0 5269.5092 12.035106
|
||||
5650 16738.622 -0.059214788 0 5269.507 12.035694
|
||||
5700 16395.28 108.06942 0 5269.5463 24.369038
|
||||
5750 16738.544 -0.033973429 0 5269.5077 12.011261
|
||||
5800 16738.456 -0.0037013529 0 5269.5102 12.011675
|
||||
5850 16738.451 0 0 5269.5123 12.011709
|
||||
5900 16738.451 -0.0002211587 0 5269.5122 12.011687
|
||||
5950 16738.452 -0.00024253349 0 5269.5124 12.011678
|
||||
6000 16738.452 0 0 5269.5128 12.011688
|
||||
6050 16738.453 0 0 5269.513 12.011702
|
||||
6100 16738.453 0 0 5269.5131 12.011716
|
||||
6150 16738.454 0 0 5269.5132 12.011725
|
||||
6200 16738.454 0 0 5269.5133 12.011728
|
||||
6250 16738.454 0 0 5269.5134 12.011723
|
||||
6300 16738.455 0 0 5269.5135 12.011712
|
||||
6350 16738.455 0 0 5269.5137 12.0117
|
||||
6400 16738.456 0 0 5269.5138 12.011697
|
||||
6450 16738.456 0 0 5269.514 12.011704
|
||||
6500 16738.456 0 0 5269.5141 12.011714
|
||||
6550 16738.457 0 0 5269.5142 12.011719
|
||||
6600 16738.457 0 0 5269.5143 12.011718
|
||||
6650 16738.458 0 0 5269.5144 12.011713
|
||||
6700 16738.458 0 0 5269.5146 12.011705
|
||||
6750 16738.459 0 0 5269.5147 12.011696
|
||||
6800 16738.459 0 0 5269.5149 12.01169
|
||||
6850 16738.46 0 0 5269.515 12.011695
|
||||
6900 16738.46 0 0 5269.5152 12.01171
|
||||
6950 16738.46 0 0 5269.5153 12.011726
|
||||
7000 16738.461 0 0 5269.5154 12.011736
|
||||
7050 16738.461 0 0 5269.5155 12.011737
|
||||
7100 16738.461 0 0 5269.5155 12.011728
|
||||
7150 16738.461 0 0 5269.5156 12.011712
|
||||
7200 16738.462 0 0 5269.5158 12.011691
|
||||
7250 16738.463 0 0 5269.516 12.011676
|
||||
7300 16738.463 0 0 5269.5162 12.011677
|
||||
7350 16738.464 0 0 5269.5164 12.011693
|
||||
7400 16738.464 0 0 5269.5165 12.011713
|
||||
7450 16738.465 0 0 5269.5166 12.011729
|
||||
7500 16738.465 0 0 5269.5167 12.011736
|
||||
7550 16738.465 0 0 5269.5168 12.011734
|
||||
7600 16738.465 0 0 5269.5168 12.011722
|
||||
7650 16738.466 0 0 5269.517 12.011704
|
||||
7700 16738.466 0 0 5269.5171 12.011687
|
||||
7750 16738.467 0 0 5269.5173 12.011681
|
||||
7800 16738.467 0 0 5269.5175 12.011687
|
||||
7850 16738.468 0 0 5269.5176 12.0117
|
||||
7900 16738.468 0 0 5269.5178 12.011712
|
||||
7950 16738.469 0 0 5269.5179 12.011721
|
||||
8000 16738.469 0 0 5269.518 12.011724
|
||||
8050 16738.469 0 0 5269.5181 12.01172
|
||||
8100 16738.47 0 0 5269.5182 12.011709
|
||||
8150 16738.47 0 0 5269.5183 12.0117
|
||||
8200 16738.47 0 0 5269.5185 12.0117
|
||||
8250 16738.471 0 0 5269.5186 12.011709
|
||||
8300 16738.471 0 0 5269.5187 12.011719
|
||||
8350 16738.472 0 0 5269.5189 12.011723
|
||||
8400 16738.472 0 0 5269.519 12.01172
|
||||
8450 16738.473 -0.00039690664 0 5269.5189 12.011706
|
||||
8500 16738.481 -0.0034646803 0 5269.5182 12.011643
|
||||
8550 16738.483 -0.0045307409 0 5269.5178 12.011621
|
||||
8600 16738.474 -0.00076532812 0 5269.5189 12.011681
|
||||
8650 16738.474 0 0 5269.5197 12.011699
|
||||
8700 16738.475 0 0 5269.5199 12.011715
|
||||
8750 16738.475 0 0 5269.52 12.011732
|
||||
8800 16738.475 0 0 5269.52 12.011743
|
||||
8850 16738.476 0 0 5269.5201 12.011744
|
||||
8900 16738.476 0 0 5269.5202 12.011735
|
||||
8950 16738.476 0 0 5269.5203 12.011719
|
||||
9000 16738.477 0 0 5269.5205 12.011698
|
||||
9050 16738.477 0 0 5269.5206 12.011683
|
||||
9100 16738.478 0 0 5269.5208 12.011684
|
||||
9150 16738.479 0 0 5269.521 12.011701
|
||||
9200 16738.479 0 0 5269.5212 12.011722
|
||||
9250 16738.479 0 0 5269.5213 12.011738
|
||||
9300 16738.48 0 0 5269.5214 12.011746
|
||||
9350 16738.48 0 0 5269.5214 12.011744
|
||||
9400 16738.48 0 0 5269.5215 12.011732
|
||||
9450 16738.48 0 0 5269.5216 12.011715
|
||||
9500 16738.481 -0.00037652437 0 5269.5216 12.011692
|
||||
9550 16738.493 -0.0053156161 0 5269.5203 12.011611
|
||||
9600 16738.549 -0.02681437 0 5269.5163 12.011415
|
||||
9650 16738.765 -0.10191523 0 5269.5092 12.011013
|
||||
9700 16735.041 1.058989 0 5269.4979 12.062708
|
||||
9750 16738.013 0.1355011 0 5269.5101 11.407245
|
||||
9800 16738.512 -0.011620328 0 5269.5201 11.394974
|
||||
9850 16738.489 -0.00067270524 0 5269.5237 11.395098
|
||||
9900 16738.489 -0.00024984559 0 5269.5242 11.395085
|
||||
9950 16738.49 0 0 5269.5245 11.395076
|
||||
10000 16738.49 0 0 5269.5246 11.395075
|
||||
Loop time of 1.69721 on 4 procs for 10000 steps with 81 atoms
|
||||
|
||||
Pair time (%) = 0.0132074 (0.77818)
|
||||
Neigh time (%) = 0.023569 (1.38869)
|
||||
Comm time (%) = 1.089 (64.164)
|
||||
Outpt time (%) = 0.0916764 (5.40158)
|
||||
Other time (%) = 0.479761 (28.2676)
|
||||
|
||||
Nlocal: 20.25 ave 38 max 3 min
|
||||
Histogram: 1 0 1 0 0 0 1 0 0 1
|
||||
Nghost: 27.25 ave 48 max 13 min
|
||||
Histogram: 1 0 1 1 0 0 0 0 0 1
|
||||
Neighs: 0 ave 0 max 0 min
|
||||
Histogram: 4 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 0
|
||||
Ave neighs/atom = 0
|
||||
Neighbor list builds = 998
|
||||
Dangerous builds = 997
|
||||
305
examples/rigid/log.rigid.1Oct06.linux.1
Normal file
305
examples/rigid/log.rigid.1Oct06.linux.1
Normal file
@ -0,0 +1,305 @@
|
||||
LAMMPS (1 Oct 2006)
|
||||
# Simple rigid body system
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
|
||||
read_data data.rigid
|
||||
1 by 1 by 1 processor grid
|
||||
81 atoms
|
||||
|
||||
velocity all create 100.0 4928459
|
||||
|
||||
# unconnected bodies
|
||||
|
||||
group clump1 id <> 1 9
|
||||
9 atoms in group clump1
|
||||
group clump2 id <> 10 18
|
||||
9 atoms in group clump2
|
||||
group clump3 id <> 19 27
|
||||
9 atoms in group clump3
|
||||
group clump4 id <> 28 36
|
||||
9 atoms in group clump4
|
||||
group clump5 id <> 37 45
|
||||
9 atoms in group clump5
|
||||
group clump6 id <> 46 54
|
||||
9 atoms in group clump6
|
||||
group clump7 id <> 55 63
|
||||
9 atoms in group clump7
|
||||
group clump8 id <> 64 72
|
||||
9 atoms in group clump8
|
||||
group clump9 id <> 73 81
|
||||
9 atoms in group clump9
|
||||
|
||||
fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 clump6 clump7 clump8 clump9
|
||||
9 rigid bodies with 81 atoms
|
||||
|
||||
# 1 chain of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 36 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
|
||||
|
||||
# 2 chains of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4
|
||||
#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
|
||||
|
||||
neigh_modify exclude group clump1 clump1
|
||||
neigh_modify exclude group clump2 clump2
|
||||
neigh_modify exclude group clump3 clump3
|
||||
neigh_modify exclude group clump4 clump4
|
||||
neigh_modify exclude group clump5 clump5
|
||||
neigh_modify exclude group clump6 clump6
|
||||
neigh_modify exclude group clump7 clump7
|
||||
neigh_modify exclude group clump8 clump8
|
||||
neigh_modify exclude group clump9 clump9
|
||||
|
||||
thermo 100
|
||||
dump 1 all atom 50 dump.rigid
|
||||
|
||||
timestep 0.0001
|
||||
thermo 50
|
||||
run 10000
|
||||
Memory usage per processor = 1.42781 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 115.29439 5235.9179 0 5272.2142 -2.7403788
|
||||
50 14910.685 571.71558 0 5265.82 32.006171
|
||||
100 16298.442 136.66184 0 5267.653 16.444229
|
||||
150 16682.606 17.490511 0 5269.4219 14.900344
|
||||
200 16733.929 1.372872 0 5269.4617 14.569267
|
||||
250 16738.853 -0.15252816 0 5269.4864 14.496404
|
||||
300 16738.588 -0.055171335 0 5269.5002 14.496025
|
||||
350 16738.492 -0.017444677 0 5269.5077 14.496446
|
||||
400 16738.464 -0.0060102023 0 5269.5104 14.496618
|
||||
450 16738.455 -0.0012713351 0 5269.5124 14.496701
|
||||
500 16738.455 -0.00081068621 0 5269.5128 14.496709
|
||||
550 16738.455 -0.00083203497 0 5269.5129 14.496707
|
||||
600 16738.455 -0.00058355356 0 5269.5131 14.496709
|
||||
650 16738.455 -0.00047226704 0 5269.5131 14.496708
|
||||
700 16738.455 0 0 5269.5136 14.496713
|
||||
750 16738.455 0 0 5269.5136 14.49671
|
||||
800 16738.455 0 0 5269.5137 14.496709
|
||||
850 16738.455 0 0 5269.5137 14.49671
|
||||
900 16738.456 0 0 5269.5138 14.496713
|
||||
950 16738.462 -0.0035323872 0 5269.5122 14.496671
|
||||
1000 16738.586 -0.051135144 0 5269.5036 14.496229
|
||||
1050 16737.358 0.32995057 0 5269.4981 14.525763
|
||||
1100 16737.892 0.16210246 0 5269.4984 14.531983
|
||||
1150 16738.703 -0.089235095 0 5269.5025 14.509899
|
||||
1200 16738.466 -0.0075446243 0 5269.5096 14.510615
|
||||
1250 16738.456 0 0 5269.514 14.510704
|
||||
1300 16738.457 0 0 5269.5141 14.510701
|
||||
1350 16738.457 0 0 5269.5141 14.510699
|
||||
1400 16738.457 -0.00044736511 0 5269.5138 14.510693
|
||||
1450 16738.458 -0.0010971179 0 5269.5134 14.510687
|
||||
1500 16738.458 -0.00057885428 0 5269.5139 14.510698
|
||||
1550 16738.457 0 0 5269.5143 14.51071
|
||||
1600 16738.457 0 0 5269.5144 14.510712
|
||||
1650 16738.457 0 0 5269.5144 14.510712
|
||||
1700 16738.458 0 0 5269.5144 14.51071
|
||||
1750 16738.458 0 0 5269.5145 14.510708
|
||||
1800 16738.458 0 0 5269.5145 14.510706
|
||||
1850 16738.458 0 0 5269.5146 14.510705
|
||||
1900 16738.458 0 0 5269.5146 14.510706
|
||||
1950 16738.465 -0.0031733615 0 5269.5134 14.510659
|
||||
2000 16738.491 -0.013255268 0 5269.5117 14.510532
|
||||
2050 16738.556 -0.0365811 0 5269.5087 14.51029
|
||||
2100 16738.633 -0.063209659 0 5269.5065 14.510219
|
||||
2150 16738.607 -0.05601761 0 5269.5055 14.510231
|
||||
2200 16738.557 -0.038423032 0 5269.5072 14.510404
|
||||
2250 16738.515 -0.023709918 0 5269.5088 14.510539
|
||||
2300 16738.489 -0.013249035 0 5269.5111 14.510621
|
||||
2350 16738.468 -0.0045563719 0 5269.5131 14.510714
|
||||
2400 16738.46 -0.00052194273 0 5269.5146 14.510771
|
||||
2450 16738.464 -0.0023259756 0 5269.514 14.510746
|
||||
2500 16738.468 -0.0051929186 0 5269.5127 14.510731
|
||||
2550 16738.581 -0.044940117 0 5269.5085 14.510315
|
||||
2600 16738.427 -7.9722836e-05 0 5269.5046 14.510657
|
||||
2650 16733.017 1.7051479 0 5269.5067 14.596295
|
||||
2700 16738.761 -0.10614946 0 5269.5038 14.499584
|
||||
2750 16733.973 1.4038179 0 5269.5064 14.598107
|
||||
2800 16738.585 -0.046813448 0 5269.5076 14.511073
|
||||
2850 16738.487 -0.012558719 0 5269.5111 14.510111
|
||||
2900 16738.465 -0.0026252725 0 5269.514 14.510277
|
||||
2950 16738.476 -0.0082220764 0 5269.512 14.510223
|
||||
3000 16738.66 -0.071284779 0 5269.507 14.509758
|
||||
3050 16715.332 7.2419352 0 5269.476 14.870305
|
||||
3100 16653.226 26.818761 0 5269.5009 14.496764
|
||||
3150 16739.351 -0.30690375 0 5269.4886 13.643904
|
||||
3200 16733.238 1.6025328 0 5269.4737 12.016934
|
||||
3250 16734.374 1.2554429 0 5269.4841 11.963561
|
||||
3300 16732.156 1.9585967 0 5269.4893 12.234024
|
||||
3350 16738.655 -0.079693236 0 5269.497 12.092757
|
||||
3400 16738.543 -0.042215005 0 5269.4991 12.092809
|
||||
3450 16738.591 -0.059327511 0 5269.4972 12.092536
|
||||
3500 16738.759 -0.11761245 0 5269.4918 12.09203
|
||||
3550 16713.405 7.8460621 0 5269.4737 12.389816
|
||||
3600 16734.939 1.0821936 0 5269.4891 12.173591
|
||||
3650 16738.808 -0.13663194 0 5269.4882 12.027009
|
||||
3700 16738.602 -0.070934368 0 5269.4889 12.025288
|
||||
3750 16737.731 0.20706558 0 5269.4927 12.061948
|
||||
3800 16738.578 -0.05582043 0 5269.4965 12.035665
|
||||
3850 16738.471 -0.016307928 0 5269.5024 12.035302
|
||||
3900 16738.449 -0.0058182199 0 5269.5059 12.035401
|
||||
3950 16738.439 -0.0012027325 0 5269.5074 12.035461
|
||||
4000 16738.436 -0.00020698452 0 5269.5075 12.035469
|
||||
4050 16738.437 0 0 5269.5078 12.035454
|
||||
4100 16738.437 0 0 5269.508 12.035435
|
||||
4150 16738.438 0 0 5269.5081 12.035426
|
||||
4200 16738.438 0 0 5269.5083 12.035432
|
||||
4250 16738.439 0 0 5269.5085 12.035447
|
||||
4300 16738.439 0 0 5269.5086 12.035463
|
||||
4350 16738.44 0 0 5269.5087 12.035474
|
||||
4400 16738.44 0 0 5269.5088 12.035478
|
||||
4450 16738.44 0 0 5269.5089 12.035474
|
||||
4500 16738.44 0 0 5269.509 12.035462
|
||||
4550 16738.441 0 0 5269.5092 12.035449
|
||||
4600 16738.441 0 0 5269.5093 12.035445
|
||||
4650 16738.442 0 0 5269.5095 12.035451
|
||||
4700 16738.442 0 0 5269.5096 12.03546
|
||||
4750 16738.443 0 0 5269.5097 12.035465
|
||||
4800 16738.443 0 0 5269.5098 12.035466
|
||||
4850 16738.443 0 0 5269.51 12.035463
|
||||
4900 16738.444 0 0 5269.5101 12.035456
|
||||
4950 16738.444 0 0 5269.5102 12.035447
|
||||
5000 16738.445 0 0 5269.5104 12.03544
|
||||
5050 16738.445 0 0 5269.5105 12.035442
|
||||
5100 16738.446 0 0 5269.5107 12.035455
|
||||
5150 16738.446 0 0 5269.5108 12.03547
|
||||
5200 16738.446 0 0 5269.5109 12.035479
|
||||
5250 16738.447 0 0 5269.511 12.035479
|
||||
5300 16738.447 0 0 5269.5111 12.03547
|
||||
5350 16738.447 0 0 5269.5112 12.035454
|
||||
5400 16738.448 0 0 5269.5113 12.035434
|
||||
5450 16738.448 0 0 5269.5115 12.03542
|
||||
5500 16738.449 0 0 5269.5117 12.035422
|
||||
5550 16738.457 -0.0030919234 0 5269.5111 12.035383
|
||||
5600 16738.51 -0.021618357 0 5269.5092 12.035106
|
||||
5650 16738.622 -0.059214788 0 5269.507 12.035694
|
||||
5700 16395.28 108.06942 0 5269.5463 24.369038
|
||||
5750 16738.544 -0.033973429 0 5269.5077 12.011261
|
||||
5800 16738.456 -0.0037013529 0 5269.5102 12.011675
|
||||
5850 16738.451 0 0 5269.5123 12.011709
|
||||
5900 16738.451 -0.0002211587 0 5269.5122 12.011687
|
||||
5950 16738.452 -0.00024253349 0 5269.5124 12.011678
|
||||
6000 16738.452 0 0 5269.5128 12.011688
|
||||
6050 16738.453 0 0 5269.513 12.011702
|
||||
6100 16738.453 0 0 5269.5131 12.011716
|
||||
6150 16738.454 0 0 5269.5132 12.011725
|
||||
6200 16738.454 0 0 5269.5133 12.011728
|
||||
6250 16738.454 0 0 5269.5134 12.011723
|
||||
6300 16738.455 0 0 5269.5135 12.011712
|
||||
6350 16738.455 0 0 5269.5137 12.0117
|
||||
6400 16738.456 0 0 5269.5138 12.011697
|
||||
6450 16738.456 0 0 5269.514 12.011704
|
||||
6500 16738.456 0 0 5269.5141 12.011714
|
||||
6550 16738.457 0 0 5269.5142 12.011719
|
||||
6600 16738.457 0 0 5269.5143 12.011718
|
||||
6650 16738.458 0 0 5269.5144 12.011713
|
||||
6700 16738.458 0 0 5269.5146 12.011705
|
||||
6750 16738.459 0 0 5269.5147 12.011696
|
||||
6800 16738.459 0 0 5269.5149 12.01169
|
||||
6850 16738.46 0 0 5269.515 12.011695
|
||||
6900 16738.46 0 0 5269.5152 12.01171
|
||||
6950 16738.46 0 0 5269.5153 12.011726
|
||||
7000 16738.461 0 0 5269.5154 12.011736
|
||||
7050 16738.461 0 0 5269.5155 12.011737
|
||||
7100 16738.461 0 0 5269.5155 12.011728
|
||||
7150 16738.461 0 0 5269.5156 12.011712
|
||||
7200 16738.462 0 0 5269.5158 12.011691
|
||||
7250 16738.463 0 0 5269.516 12.011676
|
||||
7300 16738.463 0 0 5269.5162 12.011677
|
||||
7350 16738.464 0 0 5269.5164 12.011693
|
||||
7400 16738.464 0 0 5269.5165 12.011713
|
||||
7450 16738.465 0 0 5269.5166 12.011729
|
||||
7500 16738.465 0 0 5269.5167 12.011736
|
||||
7550 16738.465 0 0 5269.5168 12.011734
|
||||
7600 16738.465 0 0 5269.5168 12.011722
|
||||
7650 16738.466 0 0 5269.517 12.011704
|
||||
7700 16738.466 0 0 5269.5171 12.011687
|
||||
7750 16738.467 0 0 5269.5173 12.011681
|
||||
7800 16738.467 0 0 5269.5175 12.011687
|
||||
7850 16738.468 0 0 5269.5176 12.0117
|
||||
7900 16738.468 0 0 5269.5178 12.011712
|
||||
7950 16738.469 0 0 5269.5179 12.011721
|
||||
8000 16738.469 0 0 5269.518 12.011724
|
||||
8050 16738.469 0 0 5269.5181 12.01172
|
||||
8100 16738.47 0 0 5269.5182 12.011709
|
||||
8150 16738.47 0 0 5269.5183 12.0117
|
||||
8200 16738.47 0 0 5269.5185 12.0117
|
||||
8250 16738.471 0 0 5269.5186 12.011709
|
||||
8300 16738.471 0 0 5269.5187 12.011719
|
||||
8350 16738.472 0 0 5269.5189 12.011723
|
||||
8400 16738.472 0 0 5269.519 12.01172
|
||||
8450 16738.473 -0.00039690665 0 5269.5189 12.011706
|
||||
8500 16738.481 -0.0034646803 0 5269.5182 12.011643
|
||||
8550 16738.483 -0.0045307409 0 5269.5178 12.011621
|
||||
8600 16738.474 -0.00076532811 0 5269.5189 12.011681
|
||||
8650 16738.474 0 0 5269.5197 12.011699
|
||||
8700 16738.475 0 0 5269.5199 12.011715
|
||||
8750 16738.475 0 0 5269.52 12.011732
|
||||
8800 16738.475 0 0 5269.52 12.011743
|
||||
8850 16738.476 0 0 5269.5201 12.011744
|
||||
8900 16738.476 0 0 5269.5202 12.011735
|
||||
8950 16738.476 0 0 5269.5203 12.011719
|
||||
9000 16738.477 0 0 5269.5205 12.011698
|
||||
9050 16738.477 0 0 5269.5206 12.011683
|
||||
9100 16738.478 0 0 5269.5208 12.011684
|
||||
9150 16738.479 0 0 5269.521 12.011701
|
||||
9200 16738.479 0 0 5269.5212 12.011722
|
||||
9250 16738.479 0 0 5269.5213 12.011738
|
||||
9300 16738.48 0 0 5269.5214 12.011746
|
||||
9350 16738.48 0 0 5269.5214 12.011744
|
||||
9400 16738.48 0 0 5269.5215 12.011732
|
||||
9450 16738.48 0 0 5269.5216 12.011715
|
||||
9500 16738.481 -0.00037652435 0 5269.5216 12.011692
|
||||
9550 16738.493 -0.0053156161 0 5269.5203 12.011611
|
||||
9600 16738.549 -0.026814369 0 5269.5163 12.011415
|
||||
9650 16738.765 -0.10191523 0 5269.5092 12.011013
|
||||
9700 16735.041 1.0589887 0 5269.4979 12.062708
|
||||
9750 16738.013 0.1355012 0 5269.5101 11.407246
|
||||
9800 16738.512 -0.011620328 0 5269.5201 11.394974
|
||||
9850 16738.489 -0.00067270518 0 5269.5237 11.395098
|
||||
9900 16738.489 -0.00024984554 0 5269.5242 11.395085
|
||||
9950 16738.49 0 0 5269.5245 11.395076
|
||||
10000 16738.49 0 0 5269.5246 11.395075
|
||||
Loop time of 0.887339 on 1 procs for 10000 steps with 81 atoms
|
||||
|
||||
Pair time (%) = 0.076566 (8.62872)
|
||||
Neigh time (%) = 0.130989 (14.762)
|
||||
Comm time (%) = 0.105157 (11.8508)
|
||||
Outpt time (%) = 0.116808 (13.1639)
|
||||
Other time (%) = 0.457819 (51.5946)
|
||||
|
||||
Nlocal: 81 ave 81 max 81 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 84 ave 84 max 84 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 0 ave 0 max 0 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 0
|
||||
Ave neighs/atom = 0
|
||||
Neighbor list builds = 998
|
||||
Dangerous builds = 997
|
||||
305
examples/rigid/log.rigid.poems.1Oct06.liberty.4
Normal file
305
examples/rigid/log.rigid.poems.1Oct06.liberty.4
Normal file
@ -0,0 +1,305 @@
|
||||
LAMMPS (1 Oct 2006)
|
||||
# Simple rigid body system
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
|
||||
read_data data.rigid
|
||||
1 by 2 by 2 processor grid
|
||||
81 atoms
|
||||
|
||||
velocity all create 100.0 4928459
|
||||
|
||||
# unconnected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 10 18
|
||||
#group clump3 id <> 19 27
|
||||
#group clump4 id <> 28 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 46 54
|
||||
#group clump7 id <> 55 63
|
||||
#group clump8 id <> 64 72
|
||||
#group clump9 id <> 73 81
|
||||
|
||||
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
|
||||
|
||||
# 1 chain of connected bodies
|
||||
|
||||
group clump1 id <> 1 9
|
||||
9 atoms in group clump1
|
||||
group clump2 id <> 9 18
|
||||
10 atoms in group clump2
|
||||
group clump3 id <> 18 27
|
||||
10 atoms in group clump3
|
||||
group clump4 id <> 27 36
|
||||
10 atoms in group clump4
|
||||
group clump5 id <> 36 45
|
||||
10 atoms in group clump5
|
||||
group clump6 id <> 45 54
|
||||
10 atoms in group clump6
|
||||
group clump7 id <> 54 63
|
||||
10 atoms in group clump7
|
||||
group clump8 id <> 63 72
|
||||
10 atoms in group clump8
|
||||
group clump9 id <> 72 81
|
||||
10 atoms in group clump9
|
||||
|
||||
fix 1 all poems group clump1 clump2 clump3 clump4 clump5 clump6 clump7 clump8 clump9
|
||||
1 clusters, 9 bodies, 8 joints, 81 atoms
|
||||
|
||||
# 2 chains of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4
|
||||
#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
|
||||
|
||||
neigh_modify exclude group clump1 clump1
|
||||
neigh_modify exclude group clump2 clump2
|
||||
neigh_modify exclude group clump3 clump3
|
||||
neigh_modify exclude group clump4 clump4
|
||||
neigh_modify exclude group clump5 clump5
|
||||
neigh_modify exclude group clump6 clump6
|
||||
neigh_modify exclude group clump7 clump7
|
||||
neigh_modify exclude group clump8 clump8
|
||||
neigh_modify exclude group clump9 clump9
|
||||
|
||||
thermo 100
|
||||
dump 1 all atom 50 dump.rigid
|
||||
|
||||
timestep 0.0001
|
||||
thermo 50
|
||||
run 10000
|
||||
Memory usage per processor = 1.4946 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 217.7783 3430.3907 0 3466.6871 -2.7403788
|
||||
50 13679.637 1404.2468 0 3684.1863 12.446066
|
||||
100 16777.225 888.87665 0 3685.0808 -31.828677
|
||||
150 19595.365 418.45042 0 3684.3446 40.709078
|
||||
200 18524.188 596.47273 0 3683.8375 -0.8159371
|
||||
250 21015.789 180.96521 0 3683.5967 -10.042469
|
||||
300 20785.513 219.25314 0 3683.5053 2.6452719
|
||||
350 21072.46 171.2554 0 3683.3321 7.0609024
|
||||
400 19956.414 356.36381 0 3682.4328 19.320259
|
||||
450 20724.42 227.73284 0 3681.8028 8.1259249
|
||||
500 20152.578 322.71466 0 3681.4777 5.4929878
|
||||
550 20017.022 345.29701 0 3681.4673 5.4661666
|
||||
600 17897.743 698.72196 0 3681.6791 3.2854742
|
||||
650 17297.758 796.60256 0 3679.5623 15.191113
|
||||
700 18581.934 584.29715 0 3681.2861 5.1588289
|
||||
750 21774.158 52.821062 0 3681.8474 -10.775664
|
||||
800 21604.055 81.188546 0 3681.8644 -3.2045743
|
||||
850 17821.483 711.53827 0 3681.7854 7.4384276
|
||||
900 21033.292 175.98127 0 3681.5299 -16.345167
|
||||
950 20968.166 186.59847 0 3681.2929 -2.330456
|
||||
1000 20490.66 266.19375 0 3681.3037 11.787983
|
||||
1050 20222.396 310.94072 0 3681.34 -8.3459539
|
||||
1100 21321.687 127.61533 0 3681.2299 -1.2184718
|
||||
1150 20849.582 206.01695 0 3680.9472 -0.86699164
|
||||
1200 21815.003 45.317416 0 3681.1512 1.5988314
|
||||
1250 18655.437 572.41453 0 3681.654 10.064076
|
||||
1300 20780.781 217.36505 0 3680.8286 6.0538621
|
||||
1350 20558.972 254.3648 0 3680.8601 -3.6773984
|
||||
1400 21485.029 99.812952 0 3680.6511 -16.185471
|
||||
1450 21771.108 52.159597 0 3680.6775 -2.4756679
|
||||
1500 21520.948 93.503946 0 3680.3286 2.1023577
|
||||
1550 21351.418 121.68139 0 3680.2511 5.5159972
|
||||
1600 20778.805 216.92173 0 3680.0559 15.089183
|
||||
1650 21477.639 100.21821 0 3679.8247 -1.1045931
|
||||
1700 18501.343 596.4785 0 3680.0357 -15.679631
|
||||
1750 18563.643 587.3477 0 3681.2882 33.53217
|
||||
1800 19110.189 494.82277 0 3679.8543 18.024037
|
||||
1850 21364.196 119.23462 0 3679.9339 2.529149
|
||||
1900 20146.64 322.14631 0 3679.9197 5.7311673
|
||||
1950 20692.671 231.25338 0 3680.0319 4.2977687
|
||||
2000 20943.903 189.11238 0 3679.7629 -22.645639
|
||||
2050 19668.148 401.81475 0 3679.8394 3.6256063
|
||||
2100 20280.572 299.73979 0 3679.8351 7.4809366
|
||||
2150 19182.127 483.47805 0 3680.4992 22.615355
|
||||
2200 21299.767 130.77158 0 3680.7327 4.7114063
|
||||
2250 20487.762 266.50325 0 3681.1302 -8.6408345
|
||||
2300 18655.048 571.92772 0 3681.1023 -5.266975
|
||||
2350 21512.632 95.763771 0 3681.2025 -9.3526622
|
||||
2400 21467.744 103.31997 0 3681.2773 -29.599491
|
||||
2450 20097.033 332.78544 0 3682.291 35.886632
|
||||
2500 20761.514 222.1498 0 3682.4021 -12.52654
|
||||
2550 20410.179 280.57555 0 3682.272 -22.280218
|
||||
2600 21469.95 103.95758 0 3682.2826 -10.039024
|
||||
2650 20711.858 230.38535 0 3682.3616 5.3554349
|
||||
2700 18584.052 585.19766 0 3682.5397 21.807604
|
||||
2750 20511.368 263.53176 0 3682.0931 -4.7085799
|
||||
2800 20592.991 249.9677 0 3682.1328 -6.5329985
|
||||
2850 17078.939 835.43473 0 3681.9245 16.780854
|
||||
2900 19704.624 397.94471 0 3682.0488 -0.87435077
|
||||
2950 19282.968 468.43149 0 3682.2595 7.0271622
|
||||
3000 20552.037 256.84085 0 3682.1804 -2.9282943
|
||||
3050 20934.711 193.08576 0 3682.2043 3.8942358
|
||||
3100 21703.768 64.8113 0 3682.106 0.063237279
|
||||
3150 18722.82 561.7019 0 3682.172 -1.4520091
|
||||
3200 18284.044 634.53317 0 3681.8739 6.3415584
|
||||
3250 21255.255 139.48628 0 3682.0288 2.6455564
|
||||
3300 20558.956 255.77083 0 3682.2636 -3.9152408
|
||||
3350 20373.309 286.62048 0 3682.1719 4.5400971
|
||||
3400 20618.175 245.81811 0 3682.1806 5.7100283
|
||||
3450 19473.455 436.70128 0 3682.2771 11.870427
|
||||
3500 18903.565 531.91776 0 3682.5119 -9.3476901
|
||||
3550 21030.252 177.18619 0 3682.2282 -14.260278
|
||||
3600 19942.611 357.98433 0 3681.7528 11.183792
|
||||
3650 20388.541 283.86156 0 3681.9518 -8.2736257
|
||||
3700 20724.985 226.58383 0 3680.748 -13.429981
|
||||
3750 21586.121 84.456333 0 3682.1432 -2.7515188
|
||||
3800 21478.159 102.70951 0 3682.4027 -2.5874121
|
||||
3850 18107.437 665.11995 0 3683.0262 11.062091
|
||||
3900 19602.682 415.48105 0 3682.5947 17.867347
|
||||
3950 19208.319 480.73213 0 3682.1186 0.55405471
|
||||
4000 20700.944 232.01332 0 3682.1706 4.2790356
|
||||
4050 18241.028 641.65227 0 3681.8236 14.819974
|
||||
4100 16330.098 961.03753 0 3682.7206 -8.1781858
|
||||
4150 20507.949 263.34806 0 3681.3396 -5.2032219
|
||||
4200 21620.592 79.051795 0 3682.4838 -11.796063
|
||||
4250 20841.315 209.02052 0 3682.573 -5.781042
|
||||
4300 21378.616 119.44038 0 3682.5431 -3.0055326
|
||||
4350 21391.4 116.89963 0 3682.133 1.2620601
|
||||
4400 20092.07 333.32793 0 3682.0062 11.429014
|
||||
4450 19315.512 461.83055 0 3681.0825 1.3462703
|
||||
4500 20839.628 208.21416 0 3681.4855 4.709479
|
||||
4550 14522.388 1263.1063 0 3683.5043 -20.816537
|
||||
4600 21284.581 134.21556 0 3681.6457 -4.8183612
|
||||
4650 20126.198 327.1439 0 3681.5103 -5.5395838
|
||||
4700 21764.236 54.44036 0 3681.813 3.4863656
|
||||
4750 21095.836 165.90339 0 3681.876 6.1541649
|
||||
4800 20619.747 245.94729 0 3682.5718 2.5595916
|
||||
4850 20763.177 222.12286 0 3682.6523 -8.6266804
|
||||
4900 20537.14 259.67462 0 3682.5313 -15.421035
|
||||
4950 21422.584 112.253 0 3682.6837 -1.4727022
|
||||
5000 16257.411 972.68578 0 3682.2542 2.3147962
|
||||
5050 19857.171 373.56369 0 3683.0922 -15.300375
|
||||
5100 15635.264 1076.6903 0 3682.5676 36.8946
|
||||
5150 21553.911 90.645813 0 3682.9642 1.5400926
|
||||
5200 21559.956 89.704166 0 3683.0302 2.0981184
|
||||
5250 19117.968 496.85067 0 3683.1787 29.282193
|
||||
5300 21330.342 127.91971 0 3682.9767 2.4699055
|
||||
5350 21829.625 44.595903 0 3682.8667 -11.606558
|
||||
5400 21789.041 51.183465 0 3682.6902 -3.8674971
|
||||
5450 19143.18 491.7975 0 3682.3275 -0.6880826
|
||||
5500 19773.011 386.55132 0 3682.0532 -0.39276859
|
||||
5550 21170.746 153.72971 0 3682.1873 -0.039885143
|
||||
5600 20634.546 243.05851 0 3682.1496 -10.510731
|
||||
5650 18940.14 525.80138 0 3682.4913 -8.4026702
|
||||
5700 18137.059 658.45807 0 3681.3012 1.8086854
|
||||
5750 18402.492 614.81681 0 3681.8988 18.121726
|
||||
5800 15725.316 1060.3153 0 3681.2013 32.3919
|
||||
5850 21350.969 122.71085 0 3681.2057 1.6244497
|
||||
5900 20596.373 248.09794 0 3680.8268 -10.287271
|
||||
5950 19586.195 416.65918 0 3681.0251 7.1327258
|
||||
6000 20566.394 252.63425 0 3680.3666 9.3309712
|
||||
6050 18063.299 667.31886 0 3677.8687 -10.246241
|
||||
6100 17305.121 797.2545 0 3681.4414 14.554146
|
||||
6150 19696.433 395.50284 0 3678.2416 4.1990406
|
||||
6200 20908.19 195.69314 0 3680.3915 -9.0297611
|
||||
6250 20767.885 219.35847 0 3680.6727 -5.4239147
|
||||
6300 20271.076 302.48547 0 3680.9981 7.5881011
|
||||
6350 21510.748 96.348849 0 3681.4736 -0.28663642
|
||||
6400 21731.982 60.504382 0 3682.5014 -3.5673143
|
||||
6450 19495.709 434.28569 0 3683.5706 4.7979099
|
||||
6500 18668.623 571.92754 0 3683.3647 1.5185672
|
||||
6550 16004.711 1016.2903 0 3683.7422 8.1972253
|
||||
6600 20629.015 244.44595 0 3682.615 3.8351386
|
||||
6650 21647.055 75.493996 0 3683.3365 -0.10989704
|
||||
6700 19793.226 384.41402 0 3683.2851 7.7597696
|
||||
6750 20441.55 275.94512 0 3682.8702 3.6110747
|
||||
6800 21623.66 79.350309 0 3683.2936 -6.3458991
|
||||
6850 21644.786 75.922535 0 3683.3869 -22.166786
|
||||
6900 18150.965 657.76117 0 3682.9219 -14.903565
|
||||
6950 21192.162 150.83369 0 3682.8607 -7.6579085
|
||||
7000 20481.657 268.91866 0 3682.5281 -10.728925
|
||||
7050 19265.165 471.58584 0 3682.4467 -3.1547895
|
||||
7100 20241.165 308.92052 0 3682.4479 10.770847
|
||||
7150 20883.514 201.92495 0 3682.5106 12.276271
|
||||
7200 20675.066 236.51208 0 3682.3564 4.0653811
|
||||
7250 21464.099 105.01329 0 3682.3631 -4.2891409
|
||||
7300 19279.539 469.63353 0 3682.89 19.415276
|
||||
7350 20266.489 304.68631 0 3682.4344 -0.15439874
|
||||
7400 18978.717 519.39579 0 3682.5153 19.185958
|
||||
7450 20816.852 213.20924 0 3682.6845 18.435432
|
||||
7500 20655.662 240.16805 0 3682.7785 -4.4996568
|
||||
7550 19061.292 506.0418 0 3682.9238 -1.7545473
|
||||
7600 20564.235 255.25251 0 3682.625 -5.3903401
|
||||
7650 21273.693 137.41485 0 3683.0303 -6.9034645
|
||||
7700 20999.106 183.2458 0 3683.0968 -5.9941062
|
||||
7750 18886.194 534.2212 0 3681.9202 5.9891004
|
||||
7800 20327.925 294.85306 0 3682.8405 -2.5902629
|
||||
7850 19533.408 427.77688 0 3683.3448 -4.9977086
|
||||
7900 20973.609 187.37509 0 3682.9765 0.11759117
|
||||
7950 18164.635 654.02996 0 3681.4691 16.402128
|
||||
8000 20938.276 193.48738 0 3683.2 -5.9311301
|
||||
8050 20819.498 213.21616 0 3683.1324 1.3392987
|
||||
8100 19553.561 424.27379 0 3683.2006 -2.5040641
|
||||
8150 17524.659 759.26187 0 3680.0384 -37.279253
|
||||
8200 21104.916 165.88837 0 3683.3744 -3.8952964
|
||||
8250 19614.453 414.27984 0 3683.3553 -2.9352541
|
||||
8300 13365.081 1457.0212 0 3684.5347 100.4608
|
||||
8350 20920.925 197.0494 0 3683.8702 -11.661629
|
||||
8400 19724.857 396.41163 0 3683.8878 0.74045509
|
||||
8450 21751.144 58.967512 0 3684.1583 -4.095218
|
||||
8500 21283.998 136.40954 0 3683.7425 -5.4781843
|
||||
8550 19255.08 474.01022 0 3683.1903 0.61248835
|
||||
8600 20786.099 219.06078 0 3683.4107 9.7864578
|
||||
8650 20801.493 216.74923 0 3683.6647 7.1280503
|
||||
8700 19893.433 368.11056 0 3683.6827 -9.5312543
|
||||
8750 21072.739 171.47966 0 3683.6028 -17.222136
|
||||
8800 18791.068 551.89466 0 3683.7394 -13.425301
|
||||
8850 20323.723 296.58355 0 3683.8708 1.2544121
|
||||
8900 19160.522 487.13728 0 3680.5575 7.5449432
|
||||
8950 20247.9 309.46468 0 3684.1146 -11.397923
|
||||
9000 20721.089 230.36979 0 3683.8846 11.354348
|
||||
9050 21798.873 51.104409 0 3684.25 -9.645863
|
||||
9100 21093.423 168.78605 0 3684.3565 -1.2127948
|
||||
9150 20954.177 191.65626 0 3684.0191 0.61911701
|
||||
9200 17054.376 842.546 0 3684.942 41.714389
|
||||
9250 19253.515 475.58375 0 3684.5029 13.186069
|
||||
9300 21681.124 71.036838 0 3684.5575 -4.139581
|
||||
9350 21796.739 51.725799 0 3684.5157 -8.5902286
|
||||
9400 21631.679 79.362722 0 3684.6425 -8.7541514
|
||||
9450 18537.758 595.38459 0 3685.011 -6.2719267
|
||||
9500 17152.352 824.77642 0 3683.5018 46.593524
|
||||
9550 20928.938 196.82808 0 3684.9843 -1.5521829
|
||||
9600 15991.62 1020.98 0 3686.25 -3.8314742
|
||||
9650 19629.68 414.15513 0 3685.7685 32.867017
|
||||
9700 20900.569 201.75492 0 3685.183 6.1694301
|
||||
9750 17072.588 841.426 0 3686.8573 -4.0468499
|
||||
9800 21939.049 29.032402 0 3685.5406 -9.1896877
|
||||
9850 21261.674 141.7745 0 3685.3869 -13.02325
|
||||
9900 19393.195 452.88226 0 3685.0814 1.4304574
|
||||
9950 17226.824 814.05288 0 3685.1902 19.353254
|
||||
10000 20630.15 245.97222 0 3684.3306 0.61583151
|
||||
Loop time of 16.5532 on 4 procs for 10000 steps with 81 atoms
|
||||
|
||||
Pair time (%) = 0.12595 (0.760878)
|
||||
Neigh time (%) = 0.0543506 (0.328338)
|
||||
Comm time (%) = 1.67897 (10.1428)
|
||||
Outpt time (%) = 0.0939289 (0.567436)
|
||||
Other time (%) = 14.6 (88.2005)
|
||||
|
||||
Nlocal: 20.25 ave 74 max 0 min
|
||||
Histogram: 3 0 0 0 0 0 0 0 0 1
|
||||
Nghost: 42 ave 90 max 0 min
|
||||
Histogram: 2 0 0 0 0 0 0 0 1 1
|
||||
Neighs: 211.25 ave 769 max 0 min
|
||||
Histogram: 3 0 0 0 0 0 0 0 0 1
|
||||
|
||||
Total # of neighbors = 845
|
||||
Ave neighs/atom = 10.4321
|
||||
Neighbor list builds = 991
|
||||
Dangerous builds = 929
|
||||
305
examples/rigid/log.rigid.poems.1Oct06.linux.1
Normal file
305
examples/rigid/log.rigid.poems.1Oct06.linux.1
Normal file
@ -0,0 +1,305 @@
|
||||
LAMMPS (1 Oct 2006)
|
||||
# Simple rigid body system
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
|
||||
read_data data.rigid
|
||||
1 by 1 by 1 processor grid
|
||||
81 atoms
|
||||
|
||||
velocity all create 100.0 4928459
|
||||
|
||||
# unconnected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 10 18
|
||||
#group clump3 id <> 19 27
|
||||
#group clump4 id <> 28 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 46 54
|
||||
#group clump7 id <> 55 63
|
||||
#group clump8 id <> 64 72
|
||||
#group clump9 id <> 73 81
|
||||
|
||||
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
|
||||
|
||||
# 1 chain of connected bodies
|
||||
|
||||
group clump1 id <> 1 9
|
||||
9 atoms in group clump1
|
||||
group clump2 id <> 9 18
|
||||
10 atoms in group clump2
|
||||
group clump3 id <> 18 27
|
||||
10 atoms in group clump3
|
||||
group clump4 id <> 27 36
|
||||
10 atoms in group clump4
|
||||
group clump5 id <> 36 45
|
||||
10 atoms in group clump5
|
||||
group clump6 id <> 45 54
|
||||
10 atoms in group clump6
|
||||
group clump7 id <> 54 63
|
||||
10 atoms in group clump7
|
||||
group clump8 id <> 63 72
|
||||
10 atoms in group clump8
|
||||
group clump9 id <> 72 81
|
||||
10 atoms in group clump9
|
||||
|
||||
fix 1 all poems group clump1 clump2 clump3 clump4 clump5 clump6 clump7 clump8 clump9
|
||||
1 clusters, 9 bodies, 8 joints, 81 atoms
|
||||
|
||||
# 2 chains of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4
|
||||
#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
|
||||
|
||||
neigh_modify exclude group clump1 clump1
|
||||
neigh_modify exclude group clump2 clump2
|
||||
neigh_modify exclude group clump3 clump3
|
||||
neigh_modify exclude group clump4 clump4
|
||||
neigh_modify exclude group clump5 clump5
|
||||
neigh_modify exclude group clump6 clump6
|
||||
neigh_modify exclude group clump7 clump7
|
||||
neigh_modify exclude group clump8 clump8
|
||||
neigh_modify exclude group clump9 clump9
|
||||
|
||||
thermo 100
|
||||
dump 1 all atom 50 dump.rigid
|
||||
|
||||
timestep 0.0001
|
||||
thermo 50
|
||||
run 10000
|
||||
Memory usage per processor = 1.50473 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 217.7783 3430.3907 0 3466.6871 -2.7403788
|
||||
50 13679.637 1404.2468 0 3684.1863 12.446066
|
||||
100 16777.225 888.87665 0 3685.0808 -31.828677
|
||||
150 19595.365 418.45042 0 3684.3446 40.709078
|
||||
200 18524.188 596.47273 0 3683.8375 -0.8159371
|
||||
250 21015.789 180.96521 0 3683.5967 -10.042469
|
||||
300 20785.513 219.25314 0 3683.5053 2.6452719
|
||||
350 21072.46 171.2554 0 3683.3321 7.0609024
|
||||
400 19956.414 356.36381 0 3682.4328 19.320259
|
||||
450 20724.42 227.73284 0 3681.8028 8.1259249
|
||||
500 20152.578 322.71466 0 3681.4777 5.4929878
|
||||
550 20017.022 345.29701 0 3681.4673 5.4661666
|
||||
600 17897.743 698.72196 0 3681.6791 3.2854742
|
||||
650 17297.758 796.60256 0 3679.5623 15.191113
|
||||
700 18581.934 584.29715 0 3681.2861 5.1588289
|
||||
750 21774.158 52.821062 0 3681.8474 -10.775664
|
||||
800 21604.055 81.188546 0 3681.8644 -3.2045743
|
||||
850 17821.483 711.53827 0 3681.7854 7.4384278
|
||||
900 21033.292 175.98127 0 3681.5299 -16.345167
|
||||
950 20968.166 186.59847 0 3681.2929 -2.330456
|
||||
1000 20490.66 266.19375 0 3681.3037 11.787983
|
||||
1050 20222.396 310.94072 0 3681.34 -8.3459539
|
||||
1100 21321.687 127.61533 0 3681.2299 -1.2184717
|
||||
1150 20849.582 206.01695 0 3680.9472 -0.86699147
|
||||
1200 21815.003 45.317414 0 3681.1512 1.5988314
|
||||
1250 18655.437 572.41453 0 3681.654 10.064078
|
||||
1300 20780.781 217.36507 0 3680.8286 6.0538618
|
||||
1350 20558.971 254.36483 0 3680.8601 -3.6773945
|
||||
1400 21485.029 99.812915 0 3680.6511 -16.185473
|
||||
1450 21771.107 52.159616 0 3680.6775 -2.4756671
|
||||
1500 21520.948 93.503919 0 3680.3286 2.1023577
|
||||
1550 21351.418 121.68136 0 3680.2511 5.5159939
|
||||
1600 20778.805 216.92179 0 3680.0559 15.08919
|
||||
1650 21477.638 100.21841 0 3679.8247 -1.1045676
|
||||
1700 18501.338 596.47934 0 3680.0357 -15.679693
|
||||
1750 18563.641 587.34802 0 3681.2882 33.532224
|
||||
1800 19110.184 494.82361 0 3679.8543 18.024052
|
||||
1850 21364.189 119.23567 0 3679.9339 2.5290982
|
||||
1900 20146.623 322.14928 0 3679.9197 5.7313631
|
||||
1950 20692.672 231.25329 0 3680.0319 4.2977763
|
||||
2000 20943.904 189.11224 0 3679.7629 -22.644967
|
||||
2050 19668.032 401.83413 0 3679.8394 3.6250579
|
||||
2100 20280.405 299.76781 0 3679.8353 7.4807458
|
||||
2150 19181.776 483.53587 0 3680.4986 22.622025
|
||||
2200 21300.275 130.68616 0 3680.732 4.7099237
|
||||
2250 20486.714 266.67751 0 3681.1298 -8.6469998
|
||||
2300 18652.596 572.33559 0 3681.1016 -5.2628292
|
||||
2350 21513.777 95.572407 0 3681.202 -9.3648592
|
||||
2400 21465.849 103.63471 0 3681.2763 -29.550454
|
||||
2450 20100.961 332.12793 0 3682.2881 35.70449
|
||||
2500 20765.206 221.53187 0 3682.3996 -12.452833
|
||||
2550 20442.965 275.09622 0 3682.2571 -22.450229
|
||||
2600 21465.612 104.67793 0 3682.2799 -10.089769
|
||||
2650 20840.301 208.97723 0 3682.3607 5.0962323
|
||||
2700 18566.291 588.29119 0 3682.6731 22.314898
|
||||
2750 20859.619 205.61533 0 3682.2184 -8.4111045
|
||||
2800 21152.619 156.74913 0 3682.1856 -7.0841069
|
||||
2850 17034.124 843.41557 0 3682.4362 31.940811
|
||||
2900 19433.377 443.20884 0 3682.105 8.154109
|
||||
2950 20759.601 222.07863 0 3682.0121 0.94860156
|
||||
3000 20639.898 242.09747 0 3682.0805 -5.0441986
|
||||
3050 18165.856 654.36056 0 3682.0032 2.0390617
|
||||
3100 20352.11 290.03669 0 3682.055 -6.4787936
|
||||
3150 20081.761 335.00558 0 3681.9657 12.403377
|
||||
3200 20312.335 296.00002 0 3681.3892 6.6521722
|
||||
3250 20715.141 228.97633 0 3681.4998 0.29254419
|
||||
3300 21033.583 176.05884 0 3681.656 -0.82749027
|
||||
3350 20555.686 255.51202 0 3681.4596 -2.6224778
|
||||
3400 20517.425 261.8331 0 3681.404 5.7965799
|
||||
3450 21550.686 89.629485 0 3681.4104 1.7369192
|
||||
3500 18213.776 648.60728 0 3684.2366 25.179084
|
||||
3550 20181.817 317.95514 0 3681.5914 12.030205
|
||||
3600 20064.929 336.99155 0 3681.1464 0.46703252
|
||||
3650 20548.763 256.74258 0 3681.5364 5.6316258
|
||||
3700 21695.436 65.821167 0 3681.7272 -4.046094
|
||||
3750 20339.586 291.86983 0 3681.8009 -6.9843488
|
||||
3800 20556.293 255.92096 0 3681.9698 -2.4803781
|
||||
3850 20446.56 274.11342 0 3681.8735 -4.7609085
|
||||
3900 19011.276 513.44779 0 3681.9938 17.583808
|
||||
3950 20584.829 250.52631 0 3681.3311 2.2444895
|
||||
4000 20971.029 185.41558 0 3680.5871 -20.990511
|
||||
4050 18377.385 617.09077 0 3679.9882 7.178804
|
||||
4100 16844.266 873.0443 0 3680.4219 8.8851101
|
||||
4150 21182.287 149.12309 0 3679.5043 -5.7838368
|
||||
4200 20081.816 332.50466 0 3679.4741 11.141881
|
||||
4250 16039.426 1006.3467 0 3679.5845 19.421993
|
||||
4300 21194.532 147.15003 0 3679.572 6.1066469
|
||||
4350 18629.518 575.11052 0 3680.0302 -2.7680889
|
||||
4400 20141.896 323.11764 0 3680.1004 -12.100591
|
||||
4450 19515.022 427.59265 0 3680.0963 -11.941524
|
||||
4500 20713.779 227.58503 0 3679.8816 -2.0762411
|
||||
4550 20534.825 257.13203 0 3679.6029 3.9506072
|
||||
4600 16110.778 995.49492 0 3680.6245 39.113403
|
||||
4650 20050.377 337.60184 0 3679.3313 4.0339243
|
||||
4700 20714.3 226.37364 0 3678.757 1.6928839
|
||||
4750 20397.838 278.68649 0 3678.3261 0.72631759
|
||||
4800 21090.67 163.3683 0 3678.4799 -7.4766616
|
||||
4850 20410.173 276.47646 0 3678.1719 -0.48404227
|
||||
4900 17341.87 787.80944 0 3678.1212 4.7714063
|
||||
4950 20335.7 289.09005 0 3678.3734 -10.795568
|
||||
5000 20001.497 344.2494 0 3677.8322 14.312823
|
||||
5050 17359.581 784.91275 0 3678.1762 -15.0609
|
||||
5100 17595.237 745.73589 0 3678.2753 -8.3672887
|
||||
5150 17097.012 827.91859 0 3677.4206 15.446196
|
||||
5200 18757.137 552.19192 0 3678.3814 -6.9635082
|
||||
5250 20388.016 279.39834 0 3677.401 20.142181
|
||||
5300 19965.35 350.31245 0 3677.8707 -17.821737
|
||||
5350 18436.118 605.83431 0 3678.5207 0.84914232
|
||||
5400 20415.986 276.61546 0 3679.2799 -0.0037894847
|
||||
5450 20973.245 184.18908 0 3679.73 1.5256563
|
||||
5500 21320.183 126.74576 0 3680.1096 2.2287329
|
||||
5550 20328.455 292.4549 0 3680.5307 4.674135
|
||||
5600 19512.862 428.45854 0 3680.6021 2.2858232
|
||||
5650 15118.355 1162.6262 0 3682.352 66.775105
|
||||
5700 21062.257 171.98221 0 3682.3583 -0.20268203
|
||||
5750 21441.233 109.32963 0 3682.8684 -12.340852
|
||||
5800 21012.806 181.33239 0 3683.4666 -7.1699728
|
||||
5850 21023.089 179.80114 0 3683.6494 3.8101095
|
||||
5900 21015.077 181.14388 0 3683.6567 -1.176308
|
||||
5950 18343.926 626.46055 0 3683.7815 15.79278
|
||||
6000 20984.465 186.52409 0 3683.935 -6.1829013
|
||||
6050 20941.64 193.97543 0 3684.2488 1.2909073
|
||||
6100 19546.675 426.86545 0 3684.6447 -0.41477554
|
||||
6150 21264.032 140.55982 0 3684.5651 -4.953571
|
||||
6200 20343.321 293.92487 0 3684.4784 -4.8781976
|
||||
6250 20109.575 333.08805 0 3684.6839 -0.23986631
|
||||
6300 19589.511 419.53578 0 3684.4543 18.387721
|
||||
6350 20331.681 295.43346 0 3684.0469 -2.6072047
|
||||
6400 21210.3 148.28185 0 3683.3319 -13.224448
|
||||
6450 19636.964 407.42287 0 3680.2503 26.945373
|
||||
6500 21158.461 156.82542 0 3683.2355 -5.558554
|
||||
6550 21937.478 26.931715 0 3683.1781 -5.8148489
|
||||
6600 20716.445 229.76043 0 3682.5013 -5.4893734
|
||||
6650 20349.273 291.61535 0 3683.1609 -4.7078762
|
||||
6700 20397.246 281.10262 0 3680.6437 6.1633541
|
||||
6750 17336.761 793.781 0 3683.2412 16.830799
|
||||
6800 21708.663 65.02598 0 3683.1366 -13.06689
|
||||
6850 20710.866 231.36429 0 3683.1752 1.1238222
|
||||
6900 20882.087 202.43759 0 3682.7855 -11.177831
|
||||
6950 21045.002 175.62221 0 3683.1225 -3.9647121
|
||||
7000 21170.606 154.92601 0 3683.3603 -3.0075479
|
||||
7050 17340.245 793.0154 0 3683.0563 18.709167
|
||||
7100 20454.586 274.19282 0 3683.2905 4.359508
|
||||
7150 19292.634 470.28091 0 3685.72 23.379394
|
||||
7200 20398.407 283.80225 0 3683.5367 -8.1595888
|
||||
7250 19860.856 374.83326 0 3684.9759 4.3995323
|
||||
7300 21399.991 116.79899 0 3683.4642 -14.69253
|
||||
7350 18469.477 605.76977 0 3684.016 9.072211
|
||||
7400 21246.811 142.508 0 3683.6431 -2.6286469
|
||||
7450 21606.727 82.490537 0 3683.6116 -2.193408
|
||||
7500 20758.001 223.13996 0 3682.8068 3.9337703
|
||||
7550 21529.182 95.699054 0 3683.896 -2.7652731
|
||||
7600 20810.859 215.29662 0 3683.7731 -3.4678516
|
||||
7650 21441.965 109.96162 0 3683.6224 2.8688092
|
||||
7700 21393.02 117.71951 0 3683.2229 -2.0199004
|
||||
7750 21261.451 139.46728 0 3683.0424 -2.351181
|
||||
7800 20994.936 184.15383 0 3683.3099 -1.9007711
|
||||
7850 20956.664 190.40367 0 3683.1811 -4.9029478
|
||||
7900 21318.654 129.90109 0 3683.0101 -7.7655435
|
||||
7950 19343.389 458.65739 0 3682.5556 5.0414528
|
||||
8000 21252.522 140.54793 0 3682.6349 1.7604951
|
||||
8050 21323.878 128.7032 0 3682.6829 -0.66125431
|
||||
8100 20832.414 210.30335 0 3682.3724 -2.6680938
|
||||
8150 17550.263 757.30848 0 3682.3522 1.416445
|
||||
8200 20762.307 222.30426 0 3682.6887 7.061507
|
||||
8250 21016.153 180.1793 0 3682.8714 2.1107236
|
||||
8300 20995.135 183.00069 0 3682.1899 -10.79355
|
||||
8350 19663.825 405.47578 0 3682.7799 10.9075
|
||||
8400 20234.71 310.31036 0 3682.7621 -1.612016
|
||||
8450 21745.345 58.858829 0 3683.083 -3.880159
|
||||
8500 20836.685 210.48891 0 3683.2698 2.5161282
|
||||
8550 18481.486 602.92686 0 3683.1746 4.7767422
|
||||
8600 20149.663 325.20466 0 3683.4819 1.7540149
|
||||
8650 20416.882 280.56681 0 3683.3806 -5.3074807
|
||||
8700 17276.182 803.72341 0 3683.087 3.9552683
|
||||
8750 21629.427 78.173566 0 3683.0781 -1.1208261
|
||||
8800 16461.211 941.11509 0 3684.6503 58.708816
|
||||
8850 20826.403 212.13566 0 3683.2028 -3.6779809
|
||||
8900 21043.766 176.04074 0 3683.335 3.2840745
|
||||
8950 18551.011 591.38957 0 3683.2248 -15.766551
|
||||
9000 17588.62 751.70197 0 3683.1387 -0.79416225
|
||||
9050 18598.429 582.45011 0 3682.1882 -7.8121328
|
||||
9100 17574.963 755.1499 0 3684.3105 23.521269
|
||||
9150 16789.177 884.58607 0 3682.7823 28.62529
|
||||
9200 21059.662 173.26532 0 3683.209 -6.2449386
|
||||
9250 21358.259 123.53455 0 3683.2445 -25.726367
|
||||
9300 20926.413 195.70771 0 3683.4433 -10.230702
|
||||
9350 20863.621 205.86722 0 3683.1373 -1.4396828
|
||||
9400 20440.979 275.97483 0 3682.8047 -10.029174
|
||||
9450 21412.619 114.29156 0 3683.0614 1.8521419
|
||||
9500 18120.95 662.26385 0 3682.4221 23.552524
|
||||
9550 19931.385 360.93428 0 3682.8317 1.8081452
|
||||
9600 19663.03 406.00051 0 3683.1722 11.177455
|
||||
9650 19534.402 427.35484 0 3683.0885 5.3754448
|
||||
9700 20291.266 300.91321 0 3682.7908 -14.76683
|
||||
9750 17786.971 718.21275 0 3682.708 -16.653312
|
||||
9800 21065.368 171.3061 0 3682.2008 -6.6147323
|
||||
9850 19611.141 413.59775 0 3682.1213 2.9925904
|
||||
9900 20735.244 226.23444 0 3682.1084 0.29229058
|
||||
9950 18050.1 673.94746 0 3682.2975 6.6859551
|
||||
10000 19913.432 363.4788 0 3682.3842 -5.8860431
|
||||
Loop time of 33.1043 on 1 procs for 10000 steps with 81 atoms
|
||||
|
||||
Pair time (%) = 1.07997 (3.26231)
|
||||
Neigh time (%) = 0.32972 (0.996002)
|
||||
Comm time (%) = 0.104371 (0.315279)
|
||||
Outpt time (%) = 0.145776 (0.440353)
|
||||
Other time (%) = 31.4445 (94.9861)
|
||||
|
||||
Nlocal: 81 ave 81 max 81 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 80 ave 80 max 80 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 857 ave 857 max 857 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 857
|
||||
Ave neighs/atom = 10.5802
|
||||
Neighbor list builds = 992
|
||||
Dangerous builds = 944
|
||||
306
examples/rigid/log.rigid.poems2.1Oct06.liberty.4
Normal file
306
examples/rigid/log.rigid.poems2.1Oct06.liberty.4
Normal file
@ -0,0 +1,306 @@
|
||||
LAMMPS (1 Oct 2006)
|
||||
# Simple rigid body system
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
|
||||
read_data data.rigid
|
||||
1 by 2 by 2 processor grid
|
||||
81 atoms
|
||||
|
||||
velocity all create 100.0 4928459
|
||||
|
||||
# unconnected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 10 18
|
||||
#group clump3 id <> 19 27
|
||||
#group clump4 id <> 28 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 46 54
|
||||
#group clump7 id <> 55 63
|
||||
#group clump8 id <> 64 72
|
||||
#group clump9 id <> 73 81
|
||||
|
||||
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
|
||||
|
||||
# 1 chain of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 36 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
|
||||
|
||||
# 2 chains of connected bodies
|
||||
|
||||
group clump1 id <> 1 9
|
||||
9 atoms in group clump1
|
||||
group clump2 id <> 9 18
|
||||
10 atoms in group clump2
|
||||
group clump3 id <> 18 27
|
||||
10 atoms in group clump3
|
||||
group clump4 id <> 27 36
|
||||
10 atoms in group clump4
|
||||
group clump5 id <> 37 45
|
||||
9 atoms in group clump5
|
||||
group clump6 id <> 45 54
|
||||
10 atoms in group clump6
|
||||
group clump7 id <> 54 63
|
||||
10 atoms in group clump7
|
||||
group clump8 id <> 63 72
|
||||
10 atoms in group clump8
|
||||
group clump9 id <> 72 81
|
||||
10 atoms in group clump9
|
||||
|
||||
fix 1 all poems group clump1 clump2 clump3 clump4
|
||||
1 clusters, 4 bodies, 3 joints, 36 atoms
|
||||
fix 2 all poems group clump5 clump6 clump7 clump8 clump9
|
||||
1 clusters, 5 bodies, 4 joints, 45 atoms
|
||||
|
||||
neigh_modify exclude group clump1 clump1
|
||||
neigh_modify exclude group clump2 clump2
|
||||
neigh_modify exclude group clump3 clump3
|
||||
neigh_modify exclude group clump4 clump4
|
||||
neigh_modify exclude group clump5 clump5
|
||||
neigh_modify exclude group clump6 clump6
|
||||
neigh_modify exclude group clump7 clump7
|
||||
neigh_modify exclude group clump8 clump8
|
||||
neigh_modify exclude group clump9 clump9
|
||||
|
||||
thermo 100
|
||||
dump 1 all atom 50 dump.rigid
|
||||
|
||||
timestep 0.0001
|
||||
thermo 50
|
||||
run 10000
|
||||
Memory usage per processor = 1.83868 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 196.00047 3632.2347 0 3668.5311 -49.218825
|
||||
50 12167.633 1505.5478 0 3758.8133 33.574274
|
||||
100 17556.978 512.66277 0 3763.9549 7.6047451
|
||||
150 19579.586 138.04942 0 3763.8987 -16.463506
|
||||
200 19757.51 105.30542 0 3764.1036 7.5942941
|
||||
250 18218.374 390.10747 0 3763.8804 19.672945
|
||||
300 19383.039 174.40688 0 3763.8586 10.032093
|
||||
350 20125.986 36.972611 0 3764.0071 6.0125969
|
||||
400 18888.816 266.10975 0 3764.0386 8.3046039
|
||||
450 19307.656 188.2511 0 3763.743 7.8887976
|
||||
500 16331.197 738.56392 0 3762.8597 13.456852
|
||||
550 19318.722 186.16172 0 3763.7027 8.2282227
|
||||
600 19455.268 161.20621 0 3764.0336 7.7732896
|
||||
650 18487.011 340.03216 0 3763.5528 3.9255991
|
||||
700 17321.201 556.32471 0 3763.9545 -6.4011523
|
||||
750 18979.187 249.04389 0 3763.7082 2.1939314
|
||||
800 19342.456 181.85552 0 3763.7918 12.876517
|
||||
850 19070.641 232.19342 0 3763.7936 8.2159078
|
||||
900 19478.873 156.65987 0 3763.8586 7.4568244
|
||||
950 19912.415 76.437437 0 3763.9216 5.8486682
|
||||
1000 16003.749 802.39753 0 3766.0548 55.191187
|
||||
1050 19859.583 86.64176 0 3764.3424 8.7977394
|
||||
1100 19229.575 203.61488 0 3764.6473 -4.0979799
|
||||
1150 18821.6 279.15861 0 3764.64 1.5304912
|
||||
1200 19392.695 173.59744 0 3764.8373 10.841959
|
||||
1250 16459.624 717.32104 0 3765.3995 40.93
|
||||
1300 19343.863 182.59043 0 3764.7874 9.4801222
|
||||
1350 20019.643 57.503573 0 3764.8448 8.041765
|
||||
1400 18549.582 329.31436 0 3764.4221 13.151345
|
||||
1450 15163.926 957.47583 0 3765.6103 -7.3048398
|
||||
1500 19223.688 204.15164 0 3764.0939 6.5539049
|
||||
1550 18147.996 404.12675 0 3764.8668 13.092195
|
||||
1600 18615.043 317.42462 0 3764.6548 5.9101585
|
||||
1650 20120.654 38.887963 0 3764.935 0.38926372
|
||||
1700 19450.904 162.98318 0 3765.0025 7.9275461
|
||||
1750 19374.634 177.37922 0 3765.2744 8.7907106
|
||||
1800 19424.403 167.93984 0 3765.0514 5.6664259
|
||||
1850 17936.476 442.80024 0 3764.3699 14.101091
|
||||
1900 19982.598 64.405734 0 3764.8868 3.8454902
|
||||
1950 16216.207 761.84618 0 3764.8475 19.873084
|
||||
2000 18584.309 322.14125 0 3763.6799 12.138411
|
||||
2050 20107.968 41.025323 0 3764.723 5.3931463
|
||||
2100 20002.381 60.584283 0 3764.7288 0.25773654
|
||||
2150 16949.202 626.70007 0 3765.4412 12.954412
|
||||
2200 20010.949 58.809053 0 3764.5403 -1.2239084
|
||||
2250 18982.71 247.01257 0 3762.3292 8.977934
|
||||
2300 18401.513 354.84007 0 3762.5277 7.0021344
|
||||
2350 19390.418 172.96117 0 3763.7793 1.8207539
|
||||
2400 16084.09 785.7786 0 3764.3137 -12.437816
|
||||
2450 18871.606 268.52952 0 3763.2713 14.613895
|
||||
2500 19686.081 117.99211 0 3763.5626 8.3329722
|
||||
2550 18875.819 267.86112 0 3763.3831 -0.48856518
|
||||
2600 17010.705 613.30983 0 3763.4405 11.630319
|
||||
2650 18797.741 282.8114 0 3763.8745 8.1020989
|
||||
2700 19726.505 110.11368 0 3763.1701 6.5575356
|
||||
2750 19436.803 164.0424 0 3763.4504 6.8766681
|
||||
2800 18357.485 362.53565 0 3762.0699 29.446982
|
||||
2850 19004.145 243.73317 0 3763.0192 8.1423479
|
||||
2900 20108.185 39.496053 0 3763.234 4.5848354
|
||||
2950 15919.562 814.90854 0 3762.9756 23.062229
|
||||
3000 17654.881 493.61172 0 3763.0342 5.545646
|
||||
3050 18711.769 298.14871 0 3763.2911 7.243461
|
||||
3100 16038.72 793.07314 0 3763.2064 14.346203
|
||||
3150 19925.087 73.363563 0 3763.1945 6.1598038
|
||||
3200 19305.94 187.89701 0 3763.0711 13.363938
|
||||
3250 19779.251 100.11507 0 3762.9394 -4.2931123
|
||||
3300 17922.539 444.12789 0 3763.1166 11.814226
|
||||
3350 18967.646 250.37413 0 3762.9011 10.599374
|
||||
3400 16940.148 625.60864 0 3762.673 27.487664
|
||||
3450 19284.152 191.53891 0 3762.6781 7.1971328
|
||||
3500 19321.512 184.58448 0 3762.6423 7.1507645
|
||||
3550 19631.049 126.97845 0 3762.358 6.6703895
|
||||
3600 18494.976 337.74154 0 3762.7371 5.2298746
|
||||
3650 19117.634 222.45812 0 3762.7607 5.5119957
|
||||
3700 19400.367 170.05551 0 3762.716 5.1505902
|
||||
3750 19912.752 75.322358 0 3762.869 4.9003403
|
||||
3800 18564.109 325.06781 0 3762.8658 14.09429
|
||||
3850 19846.304 87.655562 0 3762.8971 9.0642301
|
||||
3900 19476.444 156.1165 0 3762.8653 -2.9763615
|
||||
3950 19647.738 124.43854 0 3762.9085 6.1008067
|
||||
4000 18123.616 406.3511 0 3762.5762 12.300492
|
||||
4050 16574.617 693.99841 0 3763.372 8.1837692
|
||||
4100 18946.287 254.50552 0 3763.0773 10.419471
|
||||
4150 18466.555 343.35133 0 3763.0837 1.7173061
|
||||
4200 19477.739 156.04727 0 3763.0359 9.9334234
|
||||
4250 19680.9 118.38024 0 3762.9913 6.7698432
|
||||
4300 18320.329 369.90558 0 3762.5591 2.8725905
|
||||
4350 18767.214 286.789 0 3762.199 10.607372
|
||||
4400 16894.629 634.49312 0 3763.1281 11.825821
|
||||
4450 17915.848 444.62515 0 3762.3748 5.59808
|
||||
4500 19487.927 154.02671 0 3762.9021 4.5536547
|
||||
4550 19880.496 81.301302 0 3762.8746 9.5930235
|
||||
4600 19872.228 82.669863 0 3762.7122 6.7573135
|
||||
4650 15769.89 843.11924 0 3763.4693 15.845442
|
||||
4700 19720.045 110.85283 0 3762.7129 6.1293004
|
||||
4750 19764.607 102.5192 0 3762.6317 8.94455
|
||||
4800 17562.467 510.78691 0 3763.0956 13.972896
|
||||
4850 19463.538 158.32481 0 3762.6836 1.0093239
|
||||
4900 17932.952 441.75053 0 3762.6675 12.701684
|
||||
4950 19084.979 228.62301 0 3762.8785 11.759924
|
||||
5000 19472.38 156.9411 0 3762.9375 11.220659
|
||||
5050 19453.908 160.3778 0 3762.9533 12.301143
|
||||
5100 19521.287 147.96055 0 3763.0137 12.392696
|
||||
5150 18128.471 405.81521 0 3762.9394 11.945434
|
||||
5200 17049.524 605.73212 0 3763.0514 -0.12699639
|
||||
5250 19645.014 125.0255 0 3762.991 -0.52279382
|
||||
5300 18281.054 377.45844 0 3762.8388 20.11439
|
||||
5350 19457.083 159.77948 0 3762.9429 6.3853596
|
||||
5400 18431.165 349.7041 0 3762.8827 4.871088
|
||||
5450 19431.127 164.51144 0 3762.8682 -3.2111996
|
||||
5500 19538.523 144.42775 0 3762.6727 4.5926045
|
||||
5550 16105.678 780.35525 0 3762.8882 54.598614
|
||||
5600 20038.616 51.570638 0 3762.4254 4.5474063
|
||||
5650 19774.413 100.34213 0 3762.2704 0.78153427
|
||||
5700 19210.59 204.66324 0 3762.18 5.4298437
|
||||
5750 19146.331 216.47595 0 3762.0928 7.0574791
|
||||
5800 19058.521 232.88706 0 3762.2428 5.1938614
|
||||
5850 19195.04 207.81355 0 3762.4506 -3.7719233
|
||||
5900 18304.113 372.73776 0 3762.3882 -0.65463254
|
||||
5950 19936.776 70.443763 0 3762.4393 9.3331421
|
||||
6000 19413.016 167.50961 0 3762.5125 9.6998807
|
||||
6050 19169.847 212.36264 0 3762.3343 13.97952
|
||||
6100 19873.513 82.452317 0 3762.7325 7.797884
|
||||
6150 18911.794 260.42784 0 3762.6119 3.8761488
|
||||
6200 19153.7 215.69884 0 3762.6802 2.9164092
|
||||
6250 18802.916 280.37164 0 3762.3932 9.5188585
|
||||
6300 19385.046 172.8566 0 3762.6799 9.6703687
|
||||
6350 20042.403 51.159768 0 3762.7159 7.6850802
|
||||
6400 17671.74 490.05042 0 3762.5948 14.096008
|
||||
6450 18092.22 412.77197 0 3763.1832 0.82294201
|
||||
6500 19953.711 67.838094 0 3762.9698 8.1400023
|
||||
6550 19818.338 92.883562 0 3762.9461 8.055057
|
||||
6600 19323.833 183.93088 0 3762.4184 5.2727635
|
||||
6650 18642.816 310.35894 0 3762.7323 19.352453
|
||||
6700 16246.778 753.95834 0 3762.6209 24.682771
|
||||
6750 19362.672 176.94037 0 3762.6204 4.5345155
|
||||
6800 18813.849 278.64468 0 3762.6908 9.7383715
|
||||
6850 19386.278 172.79274 0 3762.8443 -2.8239186
|
||||
6900 19206.609 206.02588 0 3762.8054 8.1264361
|
||||
6950 18068.847 416.85422 0 3762.9369 2.3525156
|
||||
7000 18369.805 360.43314 0 3762.249 13.728295
|
||||
7050 18426.189 350.61688 0 3762.8741 14.517035
|
||||
7100 17656.982 492.79834 0 3762.6098 11.126444
|
||||
7150 18141.722 402.98387 0 3762.562 14.510638
|
||||
7200 18621.905 313.92925 0 3762.4301 1.4234708
|
||||
7250 18374.083 360.03493 0 3762.6429 -3.8128826
|
||||
7300 18040.277 421.82567 0 3762.6177 2.7635663
|
||||
7350 19146.198 217.01003 0 3762.6023 11.264741
|
||||
7400 18826.989 276.1892 0 3762.6686 12.390664
|
||||
7450 16067.243 787.1796 0 3762.5949 14.180712
|
||||
7500 18419.546 351.11771 0 3762.1448 12.922148
|
||||
7550 18446.346 346.8971 0 3762.8871 15.016254
|
||||
7600 18944.672 254.13521 0 3762.4077 10.235074
|
||||
7650 18736.984 292.8881 0 3762.7 -8.4530721
|
||||
7700 18741.654 291.39068 0 3762.0673 3.2144304
|
||||
7750 18220.361 388.04072 0 3762.1816 15.132777
|
||||
7800 19348.223 178.96147 0 3761.9658 4.4894323
|
||||
7850 19401.949 169.04328 0 3761.9968 4.9313127
|
||||
7900 18577.957 321.63399 0 3761.9965 10.7403
|
||||
7950 17739.892 476.69976 0 3761.865 15.786414
|
||||
8000 17512.557 519.37266 0 3762.4387 8.4816398
|
||||
8050 19168.123 212.38445 0 3762.0369 1.9313036
|
||||
8100 17916.044 443.46573 0 3761.2517 1.5416538
|
||||
8150 18601.23 316.95165 0 3761.6238 10.656943
|
||||
8200 17791.805 467.15931 0 3761.9381 2.2002016
|
||||
8250 18321.607 369.09405 0 3761.9843 5.815164
|
||||
8300 17334.957 552.06316 0 3762.2404 9.7175531
|
||||
8350 17207.467 575.31923 0 3761.8872 5.6916957
|
||||
8400 18225.217 387.22593 0 3762.2662 13.185636
|
||||
8450 19004.047 243.03694 0 3762.3048 13.419491
|
||||
8500 18952.876 252.61597 0 3762.4078 2.0529233
|
||||
8550 19127.437 220.08856 0 3762.2066 -3.9009433
|
||||
8600 19542.154 143.35104 0 3762.2684 9.2825505
|
||||
8650 19294.525 189.17898 0 3762.2392 15.659987
|
||||
8700 18832.532 274.05387 0 3761.5598 6.8307945
|
||||
8750 18591.931 318.93488 0 3761.885 13.12084
|
||||
8800 18576.38 322.04174 0 3762.1121 1.3006059
|
||||
8850 19922.086 72.972833 0 3762.248 7.446691
|
||||
8900 18892.839 263.55803 0 3762.2319 12.740409
|
||||
8950 16486.736 708.70288 0 3761.8022 33.657286
|
||||
9000 18628.335 312.81773 0 3762.5094 11.180187
|
||||
9050 19286.823 190.4938 0 3762.1278 3.690949
|
||||
9100 18973.378 247.96414 0 3761.5526 12.70188
|
||||
9150 17256.927 566.17648 0 3761.9038 13.94458
|
||||
9200 18507.288 334.66416 0 3761.9398 8.7036327
|
||||
9250 18961.534 250.42427 0 3761.8194 2.441337
|
||||
9300 19206.115 205.203 0 3761.8911 7.4983103
|
||||
9350 19401.191 168.92055 0 3761.7336 4.4522417
|
||||
9400 18069.392 415.54646 0 3761.7301 9.7253906
|
||||
9450 18828.428 274.89551 0 3761.6415 12.99464
|
||||
9500 18295.323 373.66825 0 3761.691 4.0189559
|
||||
9550 17709.338 482.22946 0 3761.7365 -0.16619916
|
||||
9600 19512.39 148.31281 0 3761.7184 6.188777
|
||||
9650 19742.351 105.74048 0 3761.7315 8.5310602
|
||||
9700 19892.658 77.898869 0 3761.7245 9.4480252
|
||||
9750 19035.044 236.65131 0 3761.6595 8.943227
|
||||
9800 17443.415 531.71826 0 3761.9802 20.612812
|
||||
9850 19545.912 141.99994 0 3761.6133 5.9979112
|
||||
9900 19542.173 142.22929 0 3761.1503 7.6623836
|
||||
9950 19794.356 96.034607 0 3761.6561 2.4218049
|
||||
10000 19058.563 232.34496 0 3761.7085 -1.2298428
|
||||
Loop time of 16.9577 on 4 procs for 10000 steps with 81 atoms
|
||||
|
||||
Pair time (%) = 0.0940045 (0.554347)
|
||||
Neigh time (%) = 0.04158 (0.245198)
|
||||
Comm time (%) = 1.38353 (8.15873)
|
||||
Outpt time (%) = 0.0951915 (0.561347)
|
||||
Other time (%) = 15.3434 (90.4804)
|
||||
|
||||
Nlocal: 20.25 ave 42 max 0 min
|
||||
Histogram: 2 0 0 0 0 0 0 0 1 1
|
||||
Nghost: 20.5 ave 37 max 9 min
|
||||
Histogram: 2 0 0 0 0 0 1 0 0 1
|
||||
Neighs: 164.25 ave 401 max 0 min
|
||||
Histogram: 2 0 0 0 0 0 1 0 0 1
|
||||
|
||||
Total # of neighbors = 657
|
||||
Ave neighs/atom = 8.11111
|
||||
Neighbor list builds = 991
|
||||
Dangerous builds = 930
|
||||
306
examples/rigid/log.rigid.poems2.1Oct06.linux.1
Normal file
306
examples/rigid/log.rigid.poems2.1Oct06.linux.1
Normal file
@ -0,0 +1,306 @@
|
||||
LAMMPS (1 Oct 2006)
|
||||
# Simple rigid body system
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
|
||||
read_data data.rigid
|
||||
1 by 1 by 1 processor grid
|
||||
81 atoms
|
||||
|
||||
velocity all create 100.0 4928459
|
||||
|
||||
# unconnected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 10 18
|
||||
#group clump3 id <> 19 27
|
||||
#group clump4 id <> 28 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 46 54
|
||||
#group clump7 id <> 55 63
|
||||
#group clump8 id <> 64 72
|
||||
#group clump9 id <> 73 81
|
||||
|
||||
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
|
||||
|
||||
# 1 chain of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 36 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
|
||||
|
||||
# 2 chains of connected bodies
|
||||
|
||||
group clump1 id <> 1 9
|
||||
9 atoms in group clump1
|
||||
group clump2 id <> 9 18
|
||||
10 atoms in group clump2
|
||||
group clump3 id <> 18 27
|
||||
10 atoms in group clump3
|
||||
group clump4 id <> 27 36
|
||||
10 atoms in group clump4
|
||||
group clump5 id <> 37 45
|
||||
9 atoms in group clump5
|
||||
group clump6 id <> 45 54
|
||||
10 atoms in group clump6
|
||||
group clump7 id <> 54 63
|
||||
10 atoms in group clump7
|
||||
group clump8 id <> 63 72
|
||||
10 atoms in group clump8
|
||||
group clump9 id <> 72 81
|
||||
10 atoms in group clump9
|
||||
|
||||
fix 1 all poems group clump1 clump2 clump3 clump4
|
||||
1 clusters, 4 bodies, 3 joints, 36 atoms
|
||||
fix 2 all poems group clump5 clump6 clump7 clump8 clump9
|
||||
1 clusters, 5 bodies, 4 joints, 45 atoms
|
||||
|
||||
neigh_modify exclude group clump1 clump1
|
||||
neigh_modify exclude group clump2 clump2
|
||||
neigh_modify exclude group clump3 clump3
|
||||
neigh_modify exclude group clump4 clump4
|
||||
neigh_modify exclude group clump5 clump5
|
||||
neigh_modify exclude group clump6 clump6
|
||||
neigh_modify exclude group clump7 clump7
|
||||
neigh_modify exclude group clump8 clump8
|
||||
neigh_modify exclude group clump9 clump9
|
||||
|
||||
thermo 100
|
||||
dump 1 all atom 50 dump.rigid
|
||||
|
||||
timestep 0.0001
|
||||
thermo 50
|
||||
run 10000
|
||||
Memory usage per processor = 1.85083 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 196.00047 3632.2347 0 3668.5311 -49.218825
|
||||
50 12167.633 1505.5478 0 3758.8133 33.574274
|
||||
100 17556.978 512.66277 0 3763.9549 7.6047451
|
||||
150 19579.586 138.04942 0 3763.8987 -16.463506
|
||||
200 19757.51 105.30542 0 3764.1036 7.5942941
|
||||
250 18218.374 390.10747 0 3763.8804 19.672945
|
||||
300 19383.039 174.40688 0 3763.8586 10.032093
|
||||
350 20125.986 36.972611 0 3764.0071 6.0125969
|
||||
400 18888.816 266.10975 0 3764.0386 8.3046039
|
||||
450 19307.656 188.2511 0 3763.743 7.8887976
|
||||
500 16331.197 738.56392 0 3762.8597 13.456852
|
||||
550 19318.722 186.16172 0 3763.7027 8.2282227
|
||||
600 19455.268 161.20621 0 3764.0336 7.7732896
|
||||
650 18487.011 340.03216 0 3763.5528 3.9255991
|
||||
700 17321.201 556.32471 0 3763.9545 -6.4011523
|
||||
750 18979.187 249.04389 0 3763.7082 2.1939314
|
||||
800 19342.456 181.85552 0 3763.7918 12.876517
|
||||
850 19070.641 232.19342 0 3763.7936 8.2159078
|
||||
900 19478.873 156.65987 0 3763.8586 7.4568244
|
||||
950 19912.415 76.437437 0 3763.9216 5.8486682
|
||||
1000 16003.749 802.39753 0 3766.0548 55.191187
|
||||
1050 19859.583 86.64176 0 3764.3424 8.7977394
|
||||
1100 19229.575 203.61488 0 3764.6473 -4.0979799
|
||||
1150 18821.6 279.15861 0 3764.64 1.5304912
|
||||
1200 19392.695 173.59744 0 3764.8373 10.841959
|
||||
1250 16459.624 717.32104 0 3765.3995 40.93
|
||||
1300 19343.863 182.59043 0 3764.7874 9.4801222
|
||||
1350 20019.643 57.503573 0 3764.8448 8.041765
|
||||
1400 18549.582 329.31436 0 3764.4221 13.151345
|
||||
1450 15163.926 957.47582 0 3765.6103 -7.3048397
|
||||
1500 19223.689 204.1516 0 3764.0939 6.5539043
|
||||
1550 18147.996 404.12674 0 3764.8668 13.092195
|
||||
1600 18615.043 317.4246 0 3764.6548 5.9101558
|
||||
1650 20120.654 38.887979 0 3764.935 0.38926746
|
||||
1700 19450.904 162.98332 0 3765.0025 7.9275434
|
||||
1750 19374.635 177.37908 0 3765.2744 8.790711
|
||||
1800 19424.402 167.93989 0 3765.0514 5.6664303
|
||||
1850 17936.547 442.78706 0 3764.3699 14.100896
|
||||
1900 19982.599 64.405586 0 3764.8868 3.8454569
|
||||
1950 16216.319 761.8251 0 3764.8472 19.872541
|
||||
2000 18584.273 322.14785 0 3763.6798 12.138511
|
||||
2050 20107.968 41.025185 0 3764.723 5.3931166
|
||||
2100 20002.395 60.581572 0 3764.7288 0.2577697
|
||||
2150 16949.033 626.73148 0 3765.4413 12.955
|
||||
2200 20010.947 58.809301 0 3764.5403 -1.2240041
|
||||
2250 18982.708 247.01284 0 3762.3292 8.9780528
|
||||
2300 18401.571 354.8294 0 3762.5278 7.0019831
|
||||
2350 19390.394 172.9656 0 3763.7793 1.8206136
|
||||
2400 16085.032 785.60385 0 3764.3135 -12.434917
|
||||
2450 18871.953 268.46552 0 3763.2716 14.607919
|
||||
2500 19685.428 118.11323 0 3763.5629 8.3387285
|
||||
2550 18877.269 267.59235 0 3763.3828 -0.48341735
|
||||
2600 17008.289 613.75762 0 3763.4407 11.639259
|
||||
2650 18812.576 280.05888 0 3763.8693 8.0841903
|
||||
2700 19721.109 111.09615 0 3763.1533 6.5832394
|
||||
2750 19385.826 173.49011 0 3763.4578 6.9477448
|
||||
2800 18261.265 380.36977 0 3762.0854 31.328975
|
||||
2850 19262.504 195.91155 0 3763.042 7.1306245
|
||||
2900 20108.917 39.360683 0 3763.2342 4.2051073
|
||||
2950 16520.273 703.73173 0 3763.0416 20.666642
|
||||
3000 17721.082 480.84673 0 3762.5286 10.889353
|
||||
3050 18281.378 377.38446 0 3762.8248 12.727107
|
||||
3100 17813.119 464.33179 0 3763.0575 -5.9033506
|
||||
3150 17848.794 456.92067 0 3762.253 24.280682
|
||||
3200 16283.244 747.77931 0 3763.1949 -34.084455
|
||||
3250 17775.99 470.52364 0 3762.3736 31.744378
|
||||
3300 18920.688 258.84248 0 3762.6735 9.8437551
|
||||
3350 18374.481 358.89272 0 3761.5744 3.5475689
|
||||
3400 18147.71 402.29354 0 3762.9806 11.829727
|
||||
3450 19446.951 161.38162 0 3762.6688 -0.25609588
|
||||
3500 18586.947 320.84226 0 3762.8695 4.4386085
|
||||
3550 19739.703 107.24051 0 3762.7411 6.7843088
|
||||
3600 18020.123 425.86788 0 3762.9277 32.692211
|
||||
3650 17703.685 484.51122 0 3762.9715 18.888689
|
||||
3700 18571.567 323.53862 0 3762.7177 -2.5479026
|
||||
3750 19747.937 105.29513 0 3762.3204 6.9264561
|
||||
3800 19055.305 233.61597 0 3762.3762 10.269813
|
||||
3850 19390.879 171.45465 0 3762.3582 8.5051872
|
||||
3900 17669.249 489.45512 0 3761.5382 28.590013
|
||||
3950 18309.837 371.37486 0 3762.0854 17.457093
|
||||
4000 17913.77 444.38412 0 3761.7489 11.054563
|
||||
4050 19357.4 177.36212 0 3762.0659 -2.7100501
|
||||
4100 19601.584 132.10663 0 3762.0297 7.7432662
|
||||
4150 19468.348 156.55912 0 3761.8087 7.9494045
|
||||
4200 18791.279 282.08385 0 3761.9502 8.0141814
|
||||
4250 17932.214 440.54317 0 3761.3236 8.6775437
|
||||
4300 19854.413 85.385328 0 3762.1285 2.6399285
|
||||
4350 18753.885 289.43762 0 3762.3792 -3.348463
|
||||
4400 19497.1 151.47714 0 3762.0512 8.2129692
|
||||
4450 18881.054 265.79896 0 3762.2904 15.717461
|
||||
4500 19483 154.31774 0 3762.2806 4.5428504
|
||||
4550 18372.304 359.93631 0 3762.2148 2.1598549
|
||||
4600 18538.653 329.1277 0 3762.2117 9.8161015
|
||||
4650 19561.941 139.74654 0 3762.3281 10.249049
|
||||
4700 18772.917 286.03706 0 3762.5032 21.326885
|
||||
4750 19574.986 137.31432 0 3762.3117 7.4877085
|
||||
4800 18707.43 297.96418 0 3762.303 3.5977275
|
||||
4850 19084.263 228.13574 0 3762.2584 4.8620306
|
||||
4900 19256.565 196.41485 0 3762.4453 7.1493737
|
||||
4950 19692.391 115.536 0 3762.2751 9.4402989
|
||||
5000 19540.996 143.5732 0 3762.2761 8.2081649
|
||||
5050 18653.131 308.51184 0 3762.7953 12.668618
|
||||
5100 19633.591 126.5541 0 3762.4043 5.7938001
|
||||
5150 18621.364 313.78864 0 3762.1894 24.57491
|
||||
5200 19688.937 116.08545 0 3762.185 12.477508
|
||||
5250 18410.54 353.19966 0 3762.559 12.976514
|
||||
5300 19950.659 67.914691 0 3762.4811 5.8022194
|
||||
5350 20096.327 40.899907 0 3762.4419 6.0410733
|
||||
5400 19919.818 73.467027 0 3762.3221 2.2220049
|
||||
5450 19300.983 185.34644 0 3759.6026 8.1383036
|
||||
5500 19800.648 95.498164 0 3762.2848 2.3885829
|
||||
5550 20056.731 48.009231 0 3762.2186 4.3782978
|
||||
5600 19844.923 87.14203 0 3762.1277 7.7533964
|
||||
5650 17129.848 590.16296 0 3762.3571 17.511751
|
||||
5700 19711.052 111.82109 0 3762.0159 11.77834
|
||||
5750 19617.414 129.29781 0 3762.1523 7.8333492
|
||||
5800 20036.44 51.792528 0 3762.2443 1.2142201
|
||||
5850 19666.587 120.39539 0 3762.356 2.9059895
|
||||
5900 19270.785 193.72474 0 3762.3887 8.5521132
|
||||
5950 18570.273 323.50997 0 3762.4494 7.917873
|
||||
6000 19639.926 125.31297 0 3762.3363 7.8943644
|
||||
6050 19170.13 212.17653 0 3762.2006 11.073748
|
||||
6100 19477.33 155.36998 0 3762.2829 9.7741577
|
||||
6150 19489.538 153.13138 0 3762.3051 10.490838
|
||||
6200 15767.031 842.38404 0 3762.2046 17.502671
|
||||
6250 18412.418 352.52257 0 3762.2297 6.5373659
|
||||
6300 17972.252 434.26055 0 3762.4554 13.704085
|
||||
6350 18918.499 258.81778 0 3762.2436 1.9382232
|
||||
6400 18849.088 271.35964 0 3761.9315 6.6707881
|
||||
6450 18253.5 381.84702 0 3762.1248 11.492891
|
||||
6500 19249.208 197.34439 0 3762.0126 8.5573923
|
||||
6550 17155.467 584.92475 0 3761.863 10.220904
|
||||
6600 19820.303 91.781334 0 3762.2078 3.1199949
|
||||
6650 16832.666 643.9692 0 3761.1296 3.1224873
|
||||
6700 19043.731 235.36302 0 3761.9799 9.0582649
|
||||
6750 18893.629 263.25929 0 3762.0794 7.2472883
|
||||
6800 17109.53 593.22372 0 3761.6553 4.3802066
|
||||
6850 16744.117 662.34545 0 3763.1078 12.922567
|
||||
6900 19458.193 158.37115 0 3761.7402 11.006662
|
||||
6950 18725.976 294.25915 0 3762.0326 3.2140093
|
||||
7000 16598.724 687.82474 0 3761.6624 -3.6835942
|
||||
7050 18730.073 293.30419 0 3761.8363 10.884579
|
||||
7100 20018.967 54.77727 0 3761.9935 6.0028598
|
||||
7150 17113.843 592.9644 0 3762.1945 6.7236396
|
||||
7200 17196.345 575.20975 0 3759.7181 22.617984
|
||||
7250 19441.447 161.79318 0 3762.0612 8.6790347
|
||||
7300 18425.176 348.35362 0 3760.4232 1.2239447
|
||||
7350 15831.334 830.07877 0 3761.8073 12.989722
|
||||
7400 15760.367 843.93147 0 3762.5179 20.330489
|
||||
7450 19887.01 78.958802 0 3761.7384 3.9771783
|
||||
7500 17074.502 600.07806 0 3762.0229 0.40604401
|
||||
7550 19498.422 151.10349 0 3761.9224 4.5520709
|
||||
7600 19185.257 208.81514 0 3761.6406 4.2379441
|
||||
7650 18265.566 379.07997 0 3761.5921 6.3803024
|
||||
7700 18874.852 266.08897 0 3761.432 12.40484
|
||||
7750 18129.668 404.32772 0 3761.6736 10.569077
|
||||
7800 18203.274 390.12247 0 3761.0991 9.6842762
|
||||
7850 18194.832 391.87893 0 3761.2922 5.4796988
|
||||
7900 16807.558 648.88314 0 3761.3938 0.29076345
|
||||
7950 18084.122 412.78207 0 3761.6935 6.8841109
|
||||
8000 17981.757 431.92518 0 3761.8801 6.6592835
|
||||
8050 19355.253 177.54899 0 3761.855 5.5142333
|
||||
8100 20025.877 53.385491 0 3761.8812 6.9839182
|
||||
8150 18845.855 271.98132 0 3761.9544 12.093316
|
||||
8200 16272.215 748.48475 0 3761.8579 3.2379236
|
||||
8250 19924.961 72.016182 0 3761.8237 7.4249536
|
||||
8300 17765.452 471.72154 0 3761.6201 7.703297
|
||||
8350 18716.949 295.72885 0 3761.8305 3.9378764
|
||||
8400 18669.341 304.5313 0 3761.8167 6.5183661
|
||||
8450 17588.96 504.87172 0 3762.0864 10.603189
|
||||
8500 19416.561 166.00525 0 3761.6647 4.9012003
|
||||
8550 17856.962 455.50215 0 3762.347 32.77813
|
||||
8600 19538.533 143.63236 0 3761.8792 7.9996791
|
||||
8650 19155.813 213.86669 0 3761.2394 10.276167
|
||||
8700 19069.24 230.4574 0 3761.7982 3.9102709
|
||||
8750 19365.473 175.51172 0 3761.7105 11.362372
|
||||
8800 19133.09 218.25828 0 3761.4231 9.9797495
|
||||
8850 18259.293 380.39561 0 3761.7461 7.7607448
|
||||
8900 18775.775 284.73679 0 3761.7321 -1.8279748
|
||||
8950 15941.533 809.54243 0 3761.6782 20.457951
|
||||
9000 19525.004 145.86783 0 3761.6092 6.7957307
|
||||
9050 17956.771 435.7506 0 3761.0786 7.3335578
|
||||
9100 19258.953 195.12617 0 3761.5989 9.5389589
|
||||
9150 18891.927 262.8519 0 3761.357 9.7974291
|
||||
9200 17804.066 464.97231 0 3762.0215 14.446215
|
||||
9250 18975.048 247.6467 0 3761.5445 10.681583
|
||||
9300 19242.636 198.11698 0 3761.5681 1.1630841
|
||||
9350 19037.441 236.19188 0 3761.644 8.4873411
|
||||
9400 17398.22 539.36333 0 3761.2559 23.119633
|
||||
9450 18636.737 310.27156 0 3761.5192 4.5578491
|
||||
9500 19979.365 61.813877 0 3761.6963 6.4995321
|
||||
9550 18886.37 264.32082 0 3761.7967 4.2159993
|
||||
9600 18374.874 359.07673 0 3761.8312 -0.87552165
|
||||
9650 19927.34 71.462667 0 3761.7108 6.3897422
|
||||
9700 16594.729 688.47459 0 3761.5725 21.040463
|
||||
9750 19520.395 146.32272 0 3761.2106 9.4824852
|
||||
9800 17066.423 600.32957 0 3760.7782 10.240849
|
||||
9850 18262.057 379.95673 0 3761.8191 45.222639
|
||||
9900 19261.074 194.37227 0 3761.2378 -1.6957956
|
||||
9950 19695.741 113.67141 0 3761.0308 8.0826867
|
||||
10000 19798.388 94.785163 0 3761.1534 9.0475616
|
||||
Loop time of 33.9032 on 1 procs for 10000 steps with 81 atoms
|
||||
|
||||
Pair time (%) = 0.816388 (2.40799)
|
||||
Neigh time (%) = 0.259492 (0.76539)
|
||||
Comm time (%) = 0.132266 (0.390128)
|
||||
Outpt time (%) = 0.142545 (0.420446)
|
||||
Other time (%) = 32.5526 (96.016)
|
||||
|
||||
Nlocal: 81 ave 81 max 81 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 60 ave 60 max 60 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 626 ave 626 max 626 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 626
|
||||
Ave neighs/atom = 7.7284
|
||||
Neighbor list builds = 994
|
||||
Dangerous builds = 954
|
||||
Reference in New Issue
Block a user