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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10748 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-09-10 23:35:01 +00:00
parent d3ad71c4c5
commit d9b19cf6ba
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# SRD diffusion demo - ellipsoids
units lj
atom_style ellipsoid
atom_modify first big
dimension 2
# create big ellipsoidal particles
lattice sq 0.14
region box block 0 10 0 10 -0.5 0.5
create_box 2 box
create_atoms 1 region box
set type 1 mass 1.0
set type 1 shape 3.0 1.0 1.0
group big type 1
set group big quat/random 29898
velocity big create 1.44 87287 loop geom
# equilibrate big particles
pair_style gayberne 1.0 3.0 1.0 4.0
pair_coeff 1 1 1.0 1.0 1 1 1 1 1 1
pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0
pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
fix 1 big nve/asphere
fix 2 all enforce2d
compute rot big temp/asphere
#dump 1 all custom 10 dump.ellipsoid.equil id type x y z &
# quatw quati quatj quatk
thermo_style custom step temp c_rot epair etotal press
thermo 100
run 1000
#undump 1
unfix 1
unfix 2
# add small particles as hi density lattice
region plane block INF INF INF INF -0.001 0.001 units box
lattice sq 120.0
create_atoms 2 region plane
set type 2 mass 0.01
group small type 2
velocity small create 1.0 593849 loop geom
# delete overlaps
# must set 1-2 cutoff to non-zero value
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0
pair_coeff 2 2 0.0 1.0 0.0
pair_coeff 1 2 0.0 1.0 2.0
neigh_modify one 10000
delete_atoms overlap 1.6 small big
# SRD run
reset_timestep 0
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
communicate multi group big vel yes
neigh_modify include big
# no pairwise interactions with small particles
pair_style gayberne 1.0 3.0 1.0 4.0
pair_coeff 1 1 1.0 1.0 1 1 1 1 1 1
pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0
pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0
# use fix SRD to push small particles out from inside big ones
# if comment out, big particles won't see SRD particles
timestep 0.0005
fix 1 big nve/asphere
fix 2 small srd 20 big 1.0 0.25 49894 shift yes 54979 &
collision noslip search 0.2 inside ignore exact no bounce 50
fix 3 all enforce2d
# diagnostics
compute tbig big temp/asphere
variable pebig equal pe*atoms/count(big)
variable ebig equal etotal*atoms/count(big)
thermo_style custom step temp c_rot f_2[9] etotal v_pebig v_ebig press &
f_2[1] f_2[2] f_2[3] f_2[4] f_2[5] &
f_2[6] f_2[7] f_2[8] f_2[9] f_2[10] f_2[11] f_2[12]
thermo_modify temp tbig
thermo 1000
#dump 1 all custom 1000 dump.ellipsoid id type x y z &
# quatw quati quatj quatk
#dump 1 all image 1000 image.*.jpg type type zoom 1.6
#dump_modify 1 pad 6 adiam 1 1 adiam 2 0.2
run 100000

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# SRD viscosity demo - ellipsoids
units lj
atom_style ellipsoid
atom_modify first big
dimension 2
# create big ellipsoidal particles
lattice sq 0.14
region box block 0 10 0 10 -0.5 0.5
create_box 2 box
create_atoms 1 region box
set type 1 mass 1.0
set type 1 shape 3.0 1.0 1.0
group big type 1
set group big quat/random 29898
velocity big create 1.44 87287 loop geom
# equilibrate big particles
pair_style gayberne 1.0 3.0 1.0 4.0
pair_coeff 1 1 1.0 1.0 1 1 1 1 1 1
pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0
pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
fix 1 big nve/asphere
fix 2 all enforce2d
compute rot big temp/asphere
#dump 1 all custom 10 dump.ellipsoid.equil id type x y z &
# quatw quati quatj quatk
thermo_style custom step temp c_rot epair etotal press
thermo 100
run 1000
#undump 1
unfix 1
unfix 2
# add small particles as hi density lattice
region plane block INF INF INF INF -0.001 0.001 units box
lattice sq 120.0
create_atoms 2 region plane
set type 2 mass 0.01
group small type 2
velocity small create 1.0 593849 loop geom
# delete overlaps
# must set 1-2 cutoff to non-zero value
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0
pair_coeff 2 2 0.0 1.0 0.0
pair_coeff 1 2 0.0 1.0 2.0
neigh_modify one 10000
delete_atoms overlap 1.6 small big
# SRD run
reset_timestep 0
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
communicate multi group big vel yes
neigh_modify include big
# no pairwise interactions with small particles
pair_style gayberne 1.0 3.0 1.0 4.0
pair_coeff 1 1 1.0 1.0 1 1 1 1 1 1
pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0
pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0
# use fix SRD to push small particles out from inside big ones
# if comment out, big particles won't see SRD particles
timestep 0.0005
fix 1 big nve/asphere
fix 2 small srd 20 big 1.0 0.25 49894 shift yes 54979 &
collision noslip search 0.2 inside ignore exact no bounce 50
fix 3 small viscosity 20 x y 50
fix 4 all enforce2d
# diagnostics
compute tbig big temp/asphere
variable pebig equal pe*atoms/count(big)
variable ebig equal etotal*atoms/count(big)
thermo_style custom step temp c_rot f_2[9] etotal v_pebig v_ebig press &
f_2[1] f_2[2] f_2[3] f_2[4] f_2[5] &
f_2[6] f_2[7] f_2[8] f_2[9] f_2[10] f_2[11] f_2[12]
thermo_modify temp tbig
thermo 1000
#dump 1 all custom 500 dump.ellipsoid.mp id type x y z &
# quatw quati quatj quatk
#dump 1 all image 500 image.*.jpg type type zoom 1.6
#dump_modify 1 pad 6 adiam 1 1 adiam 2 0.2
run 50000

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LAMMPS (9 Sep 2013)
# SRD diffusion demo - ellipsoids
units lj
atom_style ellipsoid
atom_modify first big
dimension 2
# create big ellipsoidal particles
lattice sq 0.14
Lattice spacing in x,y,z = 2.67261 2.67261 2.67261
region box block 0 10 0 10 -0.5 0.5
create_box 2 box
Created orthogonal box = (0 0 -1.33631) to (26.7261 26.7261 1.33631)
4 by 2 by 1 MPI processor grid
create_atoms 1 region box
Created 100 atoms
set type 1 mass 1.0
100 settings made for mass
set type 1 shape 3.0 1.0 1.0
100 settings made for shape
group big type 1
100 atoms in group big
set group big quat/random 29898
100 settings made for quat/random
velocity big create 1.44 87287 loop geom
# equilibrate big particles
pair_style gayberne 1.0 3.0 1.0 4.0
pair_coeff 1 1 1.0 1.0 1 1 1 1 1 1
pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0
pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
fix 1 big nve/asphere
fix 2 all enforce2d
compute rot big temp/asphere
#dump 1 all custom 10 dump.ellipsoid.equil id type x y z # quatw quati quatj quatk
thermo_style custom step temp c_rot epair etotal press
thermo 100
run 1000
Memory usage per processor = 3.31955 Mbytes
Step Temp rot E_pair TotEng Press
0 1.44 0.95677852 2.7038078 4.1294078 10.518912
100 2.5524145 2.801098 -0.37027046 2.1566199 0.84703874
200 2.6266386 2.7938164 -0.35322565 2.2471465 1.004886
300 2.9987557 2.9499545 -0.58917376 2.3795944 0.73081788
400 2.8557446 2.8208128 -0.39904801 2.4281391 0.91808964
500 2.4399047 2.8255746 -0.40056447 2.0149412 1.0538908
600 2.854258 2.9166789 -0.53424483 2.2914706 0.8117508
700 2.9593679 2.8231211 -0.40051715 2.5292571 1.1630889
800 2.7632972 2.9060854 -0.52075353 2.2149107 0.77106777
900 2.9905599 2.8869667 -0.49099384 2.4696604 0.6961683
1000 2.8470141 2.9005014 -0.51282121 2.3057228 0.68817475
Loop time of 0.0669988 on 8 procs for 1000 steps with 100 atoms
Pair time (%) = 0.0335407 (50.0616)
Neigh time (%) = 0.000552475 (0.824605)
Comm time (%) = 0.0238523 (35.601)
Outpt time (%) = 0.000291765 (0.435477)
Other time (%) = 0.00876167 (13.0774)
Nlocal: 12.5 ave 16 max 8 min
Histogram: 1 1 0 0 0 3 0 0 1 2
Nghost: 34.125 ave 42 max 28 min
Histogram: 1 0 2 2 0 1 0 1 0 1
Neighs: 46.125 ave 65 max 20 min
Histogram: 1 0 1 0 1 2 0 0 1 2
Total # of neighbors = 369
Ave neighs/atom = 3.69
Neighbor list builds = 174
Dangerous builds = 0
#undump 1
unfix 1
unfix 2
# add small particles as hi density lattice
region plane block INF INF INF INF -0.001 0.001 units box
lattice sq 120.0
Lattice spacing in x,y,z = 0.0912871 0.0912871 0.0912871
create_atoms 2 region plane
Created 85849 atoms
set type 2 mass 0.01
85849 settings made for mass
group small type 2
85849 atoms in group small
velocity small create 1.0 593849 loop geom
# delete overlaps
# must set 1-2 cutoff to non-zero value
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0
pair_coeff 2 2 0.0 1.0 0.0
pair_coeff 1 2 0.0 1.0 2.0
neigh_modify one 10000
delete_atoms overlap 1.6 small big
Deleted 71060 atoms, new total = 14889
# SRD run
reset_timestep 0
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
communicate multi group big vel yes
neigh_modify include big
# no pairwise interactions with small particles
pair_style gayberne 1.0 3.0 1.0 4.0
pair_coeff 1 1 1.0 1.0 1 1 1 1 1 1
pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0
pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0
# use fix SRD to push small particles out from inside big ones
# if comment out, big particles won't see SRD particles
timestep 0.0005
fix 1 big nve/asphere
fix 2 small srd 20 big 1.0 0.25 49894 shift yes 54979 collision noslip search 0.2 inside ignore exact no bounce 50
fix 3 all enforce2d
# diagnostics
compute tbig big temp/asphere
variable pebig equal pe*atoms/count(big)
variable ebig equal etotal*atoms/count(big)
thermo_style custom step temp c_rot f_2[9] etotal v_pebig v_ebig press f_2[1] f_2[2] f_2[3] f_2[4] f_2[5] f_2[6] f_2[7] f_2[8] f_2[9] f_2[10] f_2[11] f_2[12]
thermo_modify temp tbig
WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:438)
thermo 1000
#dump 1 all custom 1000 dump.ellipsoid id type x y z # quatw quati quatj quatk
#dump 1 all image 1000 image.*.jpg type type zoom 1.6
#dump_modify 1 pad 6 adiam 1 1 adiam 2 0.2
run 100000
SRD info:
SRD/big particles = 14789 100
big particle diameter max/min = 3 1
SRD temperature & lamda = 1 0.1
SRD max distance & max velocity = 0.4 40
SRD grid counts: 107 107 1
SRD grid size: request, actual (xyz) = 0.25, 0.249777 0.249777 2.67261
SRD per actual grid cell = 1.92757
SRD viscosity = 0.688101
big/SRD mass density ratio = 1.37367
# of rescaled SRD velocities = 0
ave/max small velocity = 13.3093 24.3359
ave/max big velocity = 2.08028 5.05672
Memory usage per processor = 10.6335 Mbytes
Step Temp rot 2[9] TotEng pebig ebig Press 2[1] 2[2] 2[3] 2[4] 2[5] 2[6] 2[7] 2[8] 2[9] 2[10] 2[11] 2[12]
0 2.9005014 2.9005014 0 0.025582147 -0.51282121 3.8089259 0.89862319 0 0 0 0 0 0 0 0 0 0 0 0
1000 7.2956023 7.2956023 0.70834055 0.069462778 -0.52813454 10.342313 2.4874745 15029 48 347 0 273688 98040 11449 6477 0.70834055 1617 50 0
2000 2.6238614 2.6238614 0.77744331 0.023078302 -0.47342524 3.4361283 1.6052231 16178 48 140 0 570264 98040 11449 6606 0.77744331 3196 50 0
3000 2.5809048 2.5809048 0.79907961 0.021977265 -0.57335309 3.272195 1.4275294 17045 57 504 0 875574 98040 11449 6754 0.79907961 4880 50 0
4000 2.4645688 2.4645688 0.82651268 0.02117525 -0.51942455 3.1527829 1.1962239 16911 40 359 0 1175091 98040 11449 6770 0.82651268 6476 50 0
5000 2.1821901 2.1821901 0.87375488 0.017835105 -0.59599444 2.6554687 0.94017756 17423 58 457 0 1473017 98040 11449 6741 0.87375488 7940 50 0
6000 2.7347088 2.7347088 0.88378922 0.023245561 -0.61368445 3.4610316 1.0797017 18277 49 406 0 1855806 98040 11449 6785 0.88378922 9982 50 0
7000 2.1624381 2.1624381 0.84226 0.017452531 -0.62352539 2.5985074 0.9064477 18418 55 501 0 2250403 98040 11449 6796 0.84226 12248 50 0
8000 2.163802 2.163802 0.84086821 0.01743543 -0.62810387 2.5959612 0.898377 18731 58 195 0 2609864 98040 11449 6794 0.84086821 14239 50 0
9000 2.4291028 2.4291028 0.881112 0.020152652 -0.61883485 3.0005284 0.87126187 17990 68 337 0 2980316 98040 11449 6785 0.881112 16375 50 0
10000 2.2008575 2.2008575 0.86610163 0.017451237 -0.68096305 2.5983146 0.68079667 18267 55 431 0 3322267 98040 11449 6763 0.86610163 18267 50 0
11000 3.1766901 3.1766901 0.87045337 0.027784703 -0.59640382 4.1368645 0.93469755 19172 73 636 0 3750755 98040 11449 6741 0.87045337 20726 50 0
12000 2.1793161 2.1793161 0.86215133 0.017596582 -0.62722581 2.6199551 0.67697989 19057 69 342 0 4157139 98040 11449 6802 0.86215133 22806 50 0
13000 4.0153206 4.0153206 0.90625671 0.038303439 -0.27982855 5.7029991 1.687034 19515 67 552 0 4624013 98040 11449 6717 0.90625671 25436 50 0
14000 3.170604 3.170604 0.87343798 0.028601343 -0.46574612 4.2584539 1.2191953 19102 56 503 0 5018844 98040 11449 6704 0.87343798 27565 50 0
15000 2.1598654 2.1598654 0.88571342 0.018928735 -0.39990012 2.8182993 1.2133794 19040 60 656 0 5403568 98040 11449 6800 0.88571342 29588 50 0
16000 3.2148501 3.2148501 0.92374454 0.02852773 -0.54263291 4.2474937 0.95828981 18827 69 620 0 5805269 98040 11449 6851 0.92374454 31671 50 0
17000 1.689719 1.689719 0.91145995 0.013016738 -0.57961912 1.9380621 0.80015733 18555 61 627 0 6238805 98040 11449 6762 0.91145995 34131 50 0
18000 2.2363963 2.2363963 0.93262821 0.018332423 -0.60271598 2.7295145 0.98475808 18594 55 522 0 6718450 98040 11449 6784 0.93262821 36725 50 0
19000 7.6028995 7.6028995 0.93864136 0.074005938 -0.30957605 11.018744 2.9474333 19675 93 1082 0 7229509 98040 11449 6515 0.93864136 39724 50 0
20000 7.2192143 7.2192143 0.88957525 0.069357409 -0.43000462 10.326625 2.4966484 19158 65 394 0 7789183 98040 11449 6651 0.88957525 42820 50 0
21000 4.5330204 4.5330204 0.86613007 0.042675657 -0.40022184 6.3539786 1.4658773 18943 52 155 0 8252829 98040 11449 6764 0.86613007 45182 50 0
22000 2.8518378 2.8518378 0.84167594 0.025693384 -0.4237503 3.825488 1.0516739 19085 57 407 0 8608296 98040 11449 6825 0.84167594 47111 50 0
23000 2.7181316 2.7181316 0.88923978 0.023577992 -0.53948886 3.5105272 0.82845541 18824 58 421 0 8995890 98040 11449 6748 0.88923978 49148 50 0
24000 2.0835932 2.0835932 0.84026764 0.017047902 -0.56629177 2.5382621 0.74654075 18971 60 277 0 9341011 98040 11449 6757 0.84026764 50947 50 0
25000 2.2109657 2.2109657 0.83305834 0.018511323 -0.53818793 2.756151 0.93069051 18531 44 277 0 9628824 98040 11449 6760 0.83305834 52412 50 0
26000 2.5537486 2.5537486 0.84881291 0.023243574 -0.34434968 3.4607357 1.3058386 18725 55 149 0 9984117 98040 11449 6746 0.84881291 54360 50 0
27000 2.0881562 2.0881562 0.81387145 0.017094925 -0.56608945 2.5452634 0.61664377 19345 64 157 0 10340914 98040 11449 6813 0.81387145 56350 50 0
28000 1.9836851 1.9836851 0.84227025 0.01744767 -0.35790721 2.5977835 1.0180779 19613 57 382 0 10655060 98040 11449 6780 0.84227025 57994 50 0
29000 1.9842246 1.9842246 0.82288658 0.017193445 -0.39656262 2.559932 1.036828 19128 57 148 0 10976578 98040 11449 6815 0.82288658 59591 50 0
30000 4.3538432 4.3538432 0.86941094 0.043439035 -0.019588435 6.4676379 2.5038101 18862 50 406 0 11313222 98040 11449 6725 0.86941094 61467 50 0
31000 6.6481395 6.6481395 0.86286769 0.063829591 -0.40214003 9.5035878 2.0941534 19213 67 648 0 11697823 98040 11449 6840 0.86286769 63380 50 0
32000 2.6712732 2.6712732 0.86495327 0.025802035 -0.13853198 3.841665 1.5918499 19672 74 267 0 12044541 98040 11449 6788 0.86495327 65225 50 0
33000 2.2525644 2.2525644 0.89687596 0.019829466 -0.40391176 2.9524092 1.1393318 19571 54 371 0 12448516 98040 11449 6763 0.89687596 67314 50 0
34000 2.0174254 2.0174254 0.85159248 0.016836474 -0.49918117 2.5067827 0.61040005 19322 44 314 0 12826260 98040 11449 6777 0.85159248 69403 50 0
35000 2.0636577 2.0636577 0.84737021 0.017487894 -0.47107738 2.6037726 0.9372094 19352 71 496 0 13218452 98040 11449 6847 0.84737021 71447 50 0
36000 1.9578117 1.9578117 0.86352344 0.016804797 -0.41507332 2.5020662 0.78629324 19226 64 294 0 13618568 98040 11449 6818 0.86352344 73705 50 0
37000 2.7216885 2.7216885 0.89497296 0.02408761 -0.46891159 3.5864043 0.84261741 19922 68 667 0 13956945 98040 11449 6751 0.89497296 75650 50 0
38000 2.9132431 2.9132431 0.85774007 0.025736568 -0.5088146 3.8319176 0.92509444 19512 65 459 0 14315919 98040 11449 6785 0.85774007 77596 50 0
39000 3.0646912 3.0646912 0.8862362 0.027495613 -0.47256811 4.0938218 1.1093068 19563 61 449 0 14688150 98040 11449 6782 0.8862362 79855 50 0
40000 2.2020194 2.2020194 0.86883352 0.019197745 -0.42265669 2.8583523 0.98753706 19119 55 371 0 15084880 98040 11449 6816 0.86883352 82202 50 0
41000 6.0976172 6.0976172 0.88377361 0.057628632 -0.5051227 8.580327 1.3963064 19079 65 306 0 15447216 98040 11449 6818 0.88377361 84366 50 0
42000 1.9083892 1.9083892 0.88516585 0.01531336 -0.5634938 2.2800062 0.47914635 18935 61 275 0 15853289 98040 11449 6802 0.88516585 86713 50 0
43000 1.7542467 1.7542467 0.90554851 0.015254716 -0.34255301 2.2712746 1.0497057 19154 64 304 0 16324953 98040 11449 6786 0.90554851 89455 50 0
44000 2.2479548 2.2479548 0.91641099 0.019654899 -0.42303473 2.9264179 0.91746265 18945 74 571 0 16758611 98040 11449 6783 0.91641099 92090 50 0
45000 2.1158512 2.1158512 0.91293716 0.018206737 -0.44181723 2.7108011 0.99334995 19184 61 485 0 17221151 98040 11449 6779 0.91293716 94841 50 0
46000 2.0152012 2.0152012 0.89835135 0.016867945 -0.49118143 2.5114683 0.66818297 19378 58 360 0 17710361 98040 11449 6789 0.89835135 97688 50 0
47000 2.5657032 2.5657032 0.90990935 0.021675185 -0.59567945 3.2272184 0.69894508 19451 66 427 0 18120146 98040 11449 6792 0.90990935 100021 50 0
48000 1.8478297 1.8478297 0.91589497 0.014167966 -0.64379773 2.1094685 0.49211287 19543 68 382 0 18534853 98040 11449 6815 0.91589497 102312 50 0
49000 2.4541697 2.4541697 0.90253297 0.022481005 -0.30951614 3.3471968 1.2611223 19472 56 286 0 18999871 98040 11449 6775 0.90253297 105133 50 0
50000 2.3302118 2.3302118 0.89753747 0.020434678 -0.42949642 3.0425192 0.99789859 19313 67 581 0 19470693 98040 11449 6760 0.89753747 107732 50 0
51000 1.9622255 1.9622255 0.94038395 0.016081535 -0.52933612 2.3943798 0.76520959 19556 63 598 0 19952485 98040 11449 6767 0.94038395 110585 50 0
52000 2.0649042 2.0649042 0.90596725 0.017450187 -0.47854892 2.5981584 0.70025754 19363 47 393 0 20407302 98040 11449 6832 0.90596725 113294 50 0
53000 1.7438902 1.7438902 0.92620113 0.014870808 -0.38428182 2.2141146 0.97045847 19199 50 320 0 20833593 98040 11449 6775 0.92620113 115753 50 0
54000 2.4133126 2.4133126 0.91091821 0.023458785 -0.10305736 3.4927785 1.5340967 18894 60 295 0 21304132 98040 11449 6765 0.91091821 118526 50 0
55000 2.2079351 2.2079351 0.89049352 0.019281645 -0.41897921 2.8708441 0.96570508 19047 54 377 0 21797810 98040 11449 6775 0.89049352 121460 50 0
56000 2.1479887 2.1479887 0.89773595 0.018643072 -0.42473615 2.7757671 0.87853659 19064 54 363 0 22220051 98040 11449 6788 0.89773595 123820 50 0
57000 2.5642675 2.5642675 0.88789613 0.023095645 -0.38204805 3.4387105 1.0057392 19304 77 395 0 22692743 98040 11449 6744 0.88789613 126497 50 0
58000 3.7514362 3.7514362 0.85798081 0.035436484 -0.31350184 5.2761381 1.381171 19437 57 286 0 23100326 98040 11449 6788 0.85798081 128811 50 0
59000 2.51444 2.51444 0.8979786 0.021651184 -0.52287077 3.2236448 0.77486862 19210 56 456 0 23467741 98040 11449 6766 0.8979786 131067 50 0
60000 1.8163765 1.8163765 0.88037429 0.015000644 -0.4729551 2.2334459 0.73205061 19529 59 557 0 23864523 98040 11449 6808 0.88037429 133293 50 0
61000 2.4385228 2.4385228 0.92121921 0.021765486 -0.39273586 3.2406631 1.0539662 19549 57 244 0 24304886 98040 11449 6789 0.92121921 135871 50 0
62000 1.9552803 1.9552803 0.88498431 0.016067216 -0.52111994 2.3922478 0.78048821 19880 70 348 0 24725026 98040 11449 6777 0.88498431 138244 50 0
63000 2.0485261 2.0485261 0.88137975 0.017772947 -0.40608982 2.6462141 0.81935985 19703 64 657 0 25146891 98040 11449 6795 0.88137975 140482 50 0
64000 5.6433836 5.6433836 0.90468317 0.053600869 -0.42800818 7.9806333 1.7881383 19539 70 628 0 25566274 98040 11449 6709 0.90468317 142990 50 0
65000 2.3294568 2.3294568 0.89455359 0.019432082 -0.57764791 2.8932427 0.82070889 19093 52 371 0 25984888 98040 11449 6763 0.89455359 145397 50 0
66000 2.2413888 2.2413888 0.89280517 0.019499997 -0.43631477 2.9033546 1.0155381 18850 57 417 0 26391227 98040 11449 6815 0.89280517 147627 50 0
67000 2.6544972 2.6544972 0.8630596 0.022892283 -0.5467689 3.408432 0.9203384 18921 49 226 0 26756243 98040 11449 6723 0.8630596 149679 50 0
68000 2.176732 2.176732 0.89394188 0.01818266 -0.53611435 2.7072163 0.9195041 19030 61 652 0 27141492 98040 11449 6844 0.89394188 151897 50 0
69000 2.0161273 2.0161273 0.88130839 0.016605036 -0.53170586 2.4723238 0.92131775 19182 66 650 0 27576227 98040 11449 6733 0.88130839 154351 50 0
70000 3.0377466 3.0377466 0.89771966 0.027971517 -0.36156324 4.1646792 1.3934191 18997 51 234 0 28008747 98040 11449 6746 0.89771966 156777 50 0
71000 3.1795524 3.1795524 0.8947838 0.028420307 -0.50603352 4.2314995 1.0722874 19618 55 490 0 28443736 98040 11449 6771 0.8947838 159142 50 0
72000 3.5426182 3.5426182 0.83954036 0.033941731 -0.22491678 5.0535844 1.6042774 19563 55 275 0 28881070 98040 11449 6797 0.83954036 161794 50 0
73000 2.2968425 2.2968425 0.86015879 0.02077218 -0.32952534 3.0927699 1.1404746 19485 70 451 0 29260883 98040 11449 6802 0.86015879 164068 50 0
74000 2.188706 2.188706 0.9280661 0.019084686 -0.41965301 2.8415189 0.78604118 19541 50 92 0 29685043 98040 11449 6781 0.9280661 166584 50 0
75000 1.7274084 1.7274084 0.92459156 0.01379811 -0.51943796 2.0544006 0.61217133 19550 53 316 0 30053826 98040 11449 6808 0.92459156 168827 50 0
76000 2.4210213 2.4210213 0.89819013 0.021426261 -0.41716573 3.190156 1.1110363 19438 59 425 0 30497237 98040 11449 6804 0.89819013 171460 50 0
77000 2.9878983 2.9878983 0.87463276 0.026030055 -0.5763537 3.8756148 0.8157204 19032 80 644 0 31000714 98040 11449 6755 0.87463276 174332 50 0
78000 2.3345289 2.3345289 0.90593483 0.019783234 -0.53292232 2.9455257 0.85832222 18950 68 654 0 31435875 98040 11449 6791 0.90593483 176899 50 0
79000 2.2705803 2.2705803 0.88397994 0.019430253 -0.49019424 2.8929703 0.86369694 18773 65 405 0 31880831 98040 11449 6739 0.88397994 179525 50 0
80000 4.6907116 4.6907116 0.87251492 0.045231772 -0.2546018 6.7345585 1.9476158 19100 56 373 0 32309541 98040 11449 6783 0.87251492 181794 50 0
81000 1.8511722 1.8511722 0.8626409 0.015075899 -0.51359597 2.2446506 0.58639182 18989 68 680 0 32724195 98040 11449 6807 0.8626409 184002 50 0
82000 2.5791982 2.5791982 0.86974688 0.023153218 -0.3957227 3.4472827 0.987724 19449 58 770 0 33133450 98040 11449 6768 0.86974688 186208 50 0
83000 1.7152161 1.7152161 0.87892802 0.013862381 -0.49170213 2.0639699 0.68749667 19349 58 385 0 33584010 98040 11449 6760 0.87892802 188626 50 0
84000 2.3488628 2.3488628 0.86203202 0.020814344 -0.40075798 3.0990477 0.92218361 19294 52 374 0 33968768 98040 11449 6763 0.86203202 190822 50 0
85000 2.116465 2.116465 0.84998598 0.018023607 -0.46999805 2.6835348 0.7339385 19382 64 561 0 34335861 98040 11449 6778 0.84998598 192856 50 0
86000 4.4975609 4.4975609 0.89396825 0.042207794 -0.41704734 6.2843185 1.5378572 19958 56 298 0 34732431 98040 11449 6701 0.89396825 195077 50 0
87000 2.6889768 2.6889768 0.86307648 0.02336651 -0.52753572 3.4790397 0.81754047 19936 57 641 0 35098414 98040 11449 6685 0.86307648 197104 50 0
88000 3.9319704 3.9319704 0.85779056 0.036230526 -0.46427285 5.394363 1.2276207 19788 46 182 0 35443091 98040 11449 6771 0.85779056 198936 50 0
89000 2.0653279 2.0653279 0.84504363 0.018343471 -0.3461792 2.7311593 1.0869811 19427 54 493 0 35777362 98040 11449 6798 0.84504363 200863 50 0
90000 4.8706166 4.8706166 0.86365369 0.045810202 -0.4365378 6.820681 1.4919543 19259 53 211 0 36161042 98040 11449 6791 0.86365369 203020 50 0
91000 2.2396034 2.2396034 0.8827157 0.019338006 -0.4577734 2.8792357 1.0068781 19474 69 343 0 36570010 98040 11449 6780 0.8827157 205151 50 0
92000 2.2950736 2.2950736 0.86370947 0.019380548 -0.53408981 2.8855698 0.81686894 19200 66 385 0 36941725 98040 11449 6784 0.86370947 207169 50 0
93000 2.8399649 2.8399649 0.86702804 0.025344222 -0.45804639 3.7735012 1.142371 18909 64 419 0 37350382 98040 11449 6827 0.86702804 209476 50 0
94000 2.0861949 2.0861949 0.87330649 0.01715277 -0.55455457 2.5538759 0.73150124 18803 66 511 0 37691022 98040 11449 6775 0.87330649 211354 50 0
95000 1.7673295 1.7673295 0.86863959 0.014315467 -0.50189106 2.1314299 0.73528684 18733 59 421 0 38033894 98040 11449 6761 0.86863959 213229 50 0
96000 2.3535506 2.3535506 0.85445343 0.019960525 -0.53486773 2.9719226 0.66615354 19029 55 396 0 38382273 98040 11449 6802 0.85445343 215176 50 0
97000 1.7008253 1.7008253 0.86268511 0.01373487 -0.48924484 2.0449848 0.78353064 19312 64 534 0 38766210 98040 11449 6794 0.86268511 217390 50 0
98000 2.1153875 2.1153875 0.88353399 0.019971062 -0.17843601 2.9734914 1.5344523 19479 57 559 0 39171672 98040 11449 6751 0.88353399 219740 50 0
99000 2.8415756 2.8415756 0.90324577 0.026409052 -0.30190393 3.9320437 1.5281054 19309 72 293 0 39584437 98040 11449 6746 0.90324577 222154 50 0
100000 9.0513641 9.0513641 0.85723531 0.087635776 -0.43844176 13.048091 2.4804268 19511 68 324 0 39976323 98040 11449 6832 0.85723531 224404 50 0
Loop time of 29.7394 on 8 procs for 100000 steps with 14889 atoms
Pair time (%) = 3.66754 (12.3322)
Neigh time (%) = 2.04132 (6.864)
Comm time (%) = 2.88159 (9.68944)
Outpt time (%) = 0.00693083 (0.0233052)
Other time (%) = 21.1421 (71.091)
Nlocal: 1861.12 ave 2131 max 1746 min
Histogram: 4 0 1 0 1 1 0 0 0 1
Nghost: 34.375 ave 37 max 31 min
Histogram: 1 1 0 1 0 1 1 0 1 2
Neighs: 45.875 ave 53 max 40 min
Histogram: 2 0 0 2 1 1 0 0 0 2
Total # of neighbors = 367
Ave neighs/atom = 0.0246491
Neighbor list builds = 5247
Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation

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examples/ASPHERE/ellipsoid/log.ellipsoid.mp.10Sep13 Normal file
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LAMMPS (9 Sep 2013)
# SRD viscosity demo - ellipsoids
units lj
atom_style ellipsoid
atom_modify first big
dimension 2
# create big ellipsoidal particles
lattice sq 0.14
Lattice spacing in x,y,z = 2.67261 2.67261 2.67261
region box block 0 10 0 10 -0.5 0.5
create_box 2 box
Created orthogonal box = (0 0 -1.33631) to (26.7261 26.7261 1.33631)
4 by 2 by 1 MPI processor grid
create_atoms 1 region box
Created 100 atoms
set type 1 mass 1.0
100 settings made for mass
set type 1 shape 3.0 1.0 1.0
100 settings made for shape
group big type 1
100 atoms in group big
set group big quat/random 29898
100 settings made for quat/random
velocity big create 1.44 87287 loop geom
# equilibrate big particles
pair_style gayberne 1.0 3.0 1.0 4.0
pair_coeff 1 1 1.0 1.0 1 1 1 1 1 1
pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0
pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
fix 1 big nve/asphere
fix 2 all enforce2d
compute rot big temp/asphere
#dump 1 all custom 10 dump.ellipsoid.equil id type x y z # quatw quati quatj quatk
thermo_style custom step temp c_rot epair etotal press
thermo 100
run 1000
Memory usage per processor = 3.31955 Mbytes
Step Temp rot E_pair TotEng Press
0 1.44 0.95677852 2.7038078 4.1294078 10.518912
100 2.5524145 2.801098 -0.37027046 2.1566199 0.84703874
200 2.6266386 2.7938164 -0.35322565 2.2471465 1.004886
300 2.9987557 2.9499545 -0.58917376 2.3795944 0.73081788
400 2.8557446 2.8208128 -0.39904801 2.4281391 0.91808964
500 2.4399047 2.8255746 -0.40056447 2.0149412 1.0538908
600 2.854258 2.9166789 -0.53424483 2.2914706 0.8117508
700 2.9593679 2.8231211 -0.40051715 2.5292571 1.1630889
800 2.7632972 2.9060854 -0.52075353 2.2149107 0.77106777
900 2.9905599 2.8869667 -0.49099384 2.4696604 0.6961683
1000 2.8470141 2.9005014 -0.51282121 2.3057228 0.68817475
Loop time of 0.216003 on 8 procs for 1000 steps with 100 atoms
Pair time (%) = 0.033883 (15.6863)
Neigh time (%) = 0.000561774 (0.260077)
Comm time (%) = 0.110359 (51.0913)
Outpt time (%) = 0.00236297 (1.09395)
Other time (%) = 0.0688367 (31.8684)
Nlocal: 12.5 ave 16 max 8 min
Histogram: 1 1 0 0 0 3 0 0 1 2
Nghost: 34.125 ave 42 max 28 min
Histogram: 1 0 2 2 0 1 0 1 0 1
Neighs: 46.125 ave 65 max 20 min
Histogram: 1 0 1 0 1 2 0 0 1 2
Total # of neighbors = 369
Ave neighs/atom = 3.69
Neighbor list builds = 174
Dangerous builds = 0
#undump 1
unfix 1
unfix 2
# add small particles as hi density lattice
region plane block INF INF INF INF -0.001 0.001 units box
lattice sq 120.0
Lattice spacing in x,y,z = 0.0912871 0.0912871 0.0912871
create_atoms 2 region plane
Created 85849 atoms
set type 2 mass 0.01
85849 settings made for mass
group small type 2
85849 atoms in group small
velocity small create 1.0 593849 loop geom
# delete overlaps
# must set 1-2 cutoff to non-zero value
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0
pair_coeff 2 2 0.0 1.0 0.0
pair_coeff 1 2 0.0 1.0 2.0
neigh_modify one 10000
delete_atoms overlap 1.6 small big
Deleted 71060 atoms, new total = 14889
# SRD run
reset_timestep 0
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
communicate multi group big vel yes
neigh_modify include big
# no pairwise interactions with small particles
pair_style gayberne 1.0 3.0 1.0 4.0
pair_coeff 1 1 1.0 1.0 1 1 1 1 1 1
pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0
pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0
# use fix SRD to push small particles out from inside big ones
# if comment out, big particles won't see SRD particles
timestep 0.0005
fix 1 big nve/asphere
fix 2 small srd 20 big 1.0 0.25 49894 shift yes 54979 collision noslip search 0.2 inside ignore exact no bounce 50
fix 3 small viscosity 20 x y 50
fix 4 all enforce2d
# diagnostics
compute tbig big temp/asphere
variable pebig equal pe*atoms/count(big)
variable ebig equal etotal*atoms/count(big)
thermo_style custom step temp c_rot f_2[9] etotal v_pebig v_ebig press f_2[1] f_2[2] f_2[3] f_2[4] f_2[5] f_2[6] f_2[7] f_2[8] f_2[9] f_2[10] f_2[11] f_2[12]
thermo_modify temp tbig
WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:438)
thermo 1000
#dump 1 all custom 500 dump.ellipsoid.mp id type x y z # quatw quati quatj quatk
#dump 1 all image 500 image.*.jpg type type zoom 1.6
#dump_modify 1 pad 6 adiam 1 1 adiam 2 0.2
run 50000
SRD info:
SRD/big particles = 14789 100
big particle diameter max/min = 3 1
SRD temperature & lamda = 1 0.1
SRD max distance & max velocity = 0.4 40
SRD grid counts: 107 107 1
SRD grid size: request, actual (xyz) = 0.25, 0.249777 0.249777 2.67261
SRD per actual grid cell = 1.92757
SRD viscosity = 0.688101
big/SRD mass density ratio = 1.37367
# of rescaled SRD velocities = 0
ave/max small velocity = 13.3093 24.3359
ave/max big velocity = 2.08028 5.05672
Memory usage per processor = 10.6335 Mbytes
Step Temp rot 2[9] TotEng pebig ebig Press 2[1] 2[2] 2[3] 2[4] 2[5] 2[6] 2[7] 2[8] 2[9] 2[10] 2[11] 2[12]
0 2.9005014 2.9005014 0 0.025582147 -0.51282121 3.8089259 0.89862319 0 0 0 0 0 0 0 0 0 0 0 0
1000 4.0772042 4.0772042 0.6709105 0.040214379 -0.08751542 5.9875189 2.7529672 14344 42 225 0 224495 98040 11449 6583 0.6709105 1320 50 0
2000 2.7438363 2.7438363 0.76662675 0.02408678 -0.50203535 3.5862807 1.751055 15904 52 228 0 516986 98040 11449 6696 0.76662675 3017 50 0
3000 4.3077081 4.3077081 0.80827675 0.039345067 -0.56039804 5.858087 1.7998404 16676 49 241 0 813000 98040 11449 6693 0.80827675 4732 50 0
4000 2.6526774 2.6526774 0.78555744 0.022082331 -0.66465108 3.2878383 1.0403545 17617 43 222 0 1127008 98040 11449 6765 0.78555744 6334 50 0
5000 2.594913 2.594913 0.82350776 0.021770968 -0.62494096 3.2414795 1.0780953 17703 57 382 0 1391570 98040 11449 6743 0.82350776 7729 50 0
6000 3.0343473 3.0343473 0.84065515 0.026658458 -0.55199962 3.9691778 1.2301173 18015 52 363 0 1676493 98040 11449 6775 0.84065515 9263 50 0
7000 3.0413763 3.0413763 0.79884495 0.026536497 -0.58063167 3.9510191 1.1147571 18292 55 458 0 1953690 98040 11449 6800 0.79884495 10658 50 0
8000 2.7812045 2.7812045 0.80159783 0.024478142 -0.49944409 3.6445506 1.3707277 18408 61 475 0 2238100 98040 11449 6833 0.80159783 12186 50 0
9000 2.7102571 2.7102571 0.82556805 0.023142083 -0.59265825 3.4456248 0.98842401 18286 61 194 0 2576779 98040 11449 6818 0.82556805 13939 50 0
10000 3.2045912 3.2045912 0.8622825 0.027989227 -0.60752488 4.167316 1.1341927 18288 50 179 0 2962819 98040 11449 6720 0.8622825 15849 50 0
11000 4.6098925 4.6098925 0.8551898 0.042356478 -0.56228382 6.306456 1.4720289 18764 62 280 0 3277277 98040 11449 6818 0.8551898 17581 50 0
12000 3.5052136 3.5052136 0.85951127 0.03109149 -0.59355628 4.6292119 1.0101413 18788 51 361 0 3618996 98040 11449 6778 0.85951127 19490 50 0
13000 3.2931183 3.2931183 0.87082756 0.030037721 -0.43442997 4.4723163 1.3509023 19082 56 519 0 3950820 98040 11449 6816 0.87082756 21387 50 0
14000 3.3837607 3.3837607 0.84668317 0.030465137 -0.50584917 4.5359543 1.3664689 19368 59 413 0 4299096 98040 11449 6788 0.84668317 23311 50 0
15000 3.9613429 3.9613429 0.88196505 0.038203107 -0.21434033 5.6880606 1.8415287 18619 61 472 0 4666678 98040 11449 6808 0.88196505 25272 50 0
16000 4.2615312 4.2615312 0.82672895 0.038879833 -0.56086323 5.7888183 1.2281404 18687 49 453 0 5016630 98040 11449 6724 0.82672895 27200 50 0
17000 3.1642486 3.1642486 0.82812979 0.028702004 -0.44128899 4.2734414 1.2224354 18918 54 385 0 5318150 98040 11449 6780 0.82812979 28796 50 0
18000 4.326255 4.326255 0.80700754 0.039935329 -0.50014888 5.9459711 1.5337863 19242 59 417 0 5620823 98040 11449 6819 0.80700754 30496 50 0
19000 4.7303091 4.7303091 0.82398378 0.043920179 -0.50888521 6.5392754 1.3695551 18896 56 276 0 5900972 98040 11449 6807 0.82398378 32209 50 0
20000 3.4002668 3.4002668 0.84006847 0.031221557 -0.41781984 4.6485777 1.1290385 18861 52 142 0 6221193 98040 11449 6816 0.84006847 33883 50 0
21000 3.8655857 3.8655857 0.85324995 0.03542669 -0.48504283 5.2746799 1.0819496 19111 53 192 0 6513564 98040 11449 6830 0.85324995 35352 50 0
22000 3.6574509 3.6574509 0.84025473 0.033965163 -0.39252882 5.0570731 1.4286148 19280 54 269 0 6824809 98040 11449 6781 0.84025473 36941 50 0
23000 4.4296219 4.4296219 0.86770551 0.041555285 -0.41297036 6.1871663 1.4156152 19160 37 435 0 7161579 98040 11449 6752 0.86770551 38716 50 0
24000 4.0435169 4.0435169 0.84111419 0.036578859 -0.57861376 5.4462264 0.96478184 19059 48 379 0 7512598 98040 11449 6797 0.84111419 40660 50 0
25000 3.8100627 3.8100627 0.84181242 0.035211679 -0.43432659 5.2426668 1.3297193 19418 54 385 0 7859647 98040 11449 6749 0.84181242 42653 50 0
26000 4.4865488 4.4865488 0.83287786 0.041526308 -0.50210571 6.182852 1.2409485 19282 51 239 0 8238637 98040 11449 6792 0.83287786 44767 50 0
27000 7.0852396 7.0852396 0.85841948 0.068172726 -0.40676992 10.150237 2.0194952 19317 56 283 0 8632769 98040 11449 6726 0.85841948 46983 50 0
28000 5.1517725 5.1517725 0.87627692 0.048475654 -0.45860096 7.2175401 1.3442212 18868 59 429 0 8971998 98040 11449 6805 0.87627692 48888 50 0
29000 3.759401 3.759401 0.85080417 0.034921423 -0.40205682 5.1994507 1.2957581 19528 51 223 0 9358797 98040 11449 6767 0.85080417 50864 50 0
30000 4.1056897 4.1056897 0.89048135 0.038239787 -0.42395586 5.6935219 1.3427608 19322 55 320 0 9714933 98040 11449 6726 0.89048135 52987 50 0
31000 3.9169919 3.9169919 0.83225664 0.036119283 -0.45851779 5.3778001 1.2227344 19378 56 183 0 10093157 98040 11449 6835 0.83225664 55203 50 0
32000 4.2947449 4.2947449 0.85282769 0.040398791 -0.38419394 6.0149759 1.4475348 18971 64 192 0 10449851 98040 11449 6788 0.85282769 57103 50 0
33000 6.3981858 6.3981858 0.8752853 0.061770539 -0.33628134 9.1970155 1.8805105 19093 65 113 0 10906186 98040 11449 6698 0.8752853 59700 50 0
34000 4.1610677 4.1610677 0.84406404 0.038747185 -0.43092244 5.7690684 1.1157695 19427 62 413 0 11309588 98040 11449 6739 0.84406404 62078 50 0
35000 4.8088073 4.8088073 0.87151511 0.045354512 -0.4122896 6.7528333 1.4394764 19376 66 434 0 11696476 98040 11449 6763 0.87151511 64175 50 0
36000 4.2921897 4.2921897 0.84488024 0.039617438 -0.49672227 5.8986404 1.1291104 19529 45 264 0 12022588 98040 11449 6795 0.84488024 65897 50 0
37000 3.7112825 3.7112825 0.8416428 0.033678706 -0.51538845 5.0144225 1.0454583 19827 69 455 0 12340474 98040 11449 6782 0.8416428 67632 50 0
38000 3.6819111 3.6819111 0.85373497 0.034285125 -0.38133519 5.1047123 1.2393947 19380 47 149 0 12643621 98040 11449 6771 0.85373497 69404 50 0
39000 4.271666 4.271666 0.87592802 0.040171423 -0.38365909 5.9811232 1.3509653 19208 53 437 0 12951773 98040 11449 6773 0.87592802 71144 50 0
40000 7.8961104 7.8961104 0.83195448 0.075474381 -0.52782399 11.237381 2.0854836 19587 54 140 0 13284474 98040 11449 6739 0.83195448 73005 50 0
41000 5.3324705 5.3324705 0.84594041 0.050595382 -0.41223462 7.5331464 1.8824 19398 60 246 0 13591740 98040 11449 6739 0.84594041 74623 50 0
42000 5.3412052 5.3412052 0.85510315 0.050390916 -0.45569229 7.5027035 1.6185323 19004 56 411 0 13943637 98040 11449 6811 0.85510315 76708 50 0
43000 4.538738 4.538738 0.84330484 0.04134934 -0.6062163 6.1565033 0.93340583 18747 55 166 0 14310076 98040 11449 6816 0.84330484 78713 50 0
44000 4.7059719 4.7059719 0.87465087 0.043139856 -0.58880485 6.4230932 1.1555897 18636 55 185 0 14663012 98040 11449 6779 0.87465087 80547 50 0
45000 4.3751196 4.3751196 0.8849121 0.039833588 -0.58810522 5.930823 1.3402888 18537 61 382 0 15031341 98040 11449 6796 0.8849121 82486 50 0
46000 3.8815029 3.8815029 0.84817481 0.034767594 -0.60689233 5.1765471 0.94880018 18642 64 807 0 15350275 98040 11449 6877 0.84817481 84256 50 0
47000 4.2821501 4.2821501 0.85615543 0.039739616 -0.46357218 5.9168314 1.2473512 19321 51 240 0 15717133 98040 11449 6744 0.85615543 86379 50 0
48000 4.8566025 4.8566025 0.88283248 0.045601238 -0.44676931 6.7895684 1.3643402 19369 64 555 0 16181209 98040 11449 6711 0.88283248 89052 50 0
49000 5.041306 5.041306 0.83860275 0.046968778 -0.51836452 6.9931814 1.2925069 19148 56 645 0 16630113 98040 11449 6767 0.83860275 91645 50 0
50000 4.017754 4.017754 0.85846415 0.037037752 -0.47190243 5.514551 1.2505985 19331 70 388 0 17084877 98040 11449 6815 0.85846415 94299 50 0
Loop time of 14.4429 on 8 procs for 50000 steps with 14889 atoms
Pair time (%) = 1.82692 (12.6493)
Neigh time (%) = 0.991614 (6.86577)
Comm time (%) = 1.32936 (9.20426)
Outpt time (%) = 0.0033724 (0.02335)
Other time (%) = 10.2916 (71.2574)
Nlocal: 1861.12 ave 1950 max 1735 min
Histogram: 1 0 1 0 1 0 1 2 1 1
Nghost: 34 ave 37 max 30 min
Histogram: 1 0 1 0 2 1 0 0 1 2
Neighs: 46.125 ave 64 max 32 min
Histogram: 1 2 0 1 1 1 0 0 1 1
Total # of neighbors = 369
Ave neighs/atom = 0.0247834
Neighbor list builds = 2575
Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation