git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11549 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
@ -1,289 +0,0 @@
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LAMMPS (9 Sep 2013)
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# SRD diffusion demo - rigid box particles
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units lj
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atom_style sphere
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atom_modify map array first big
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dimension 2
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# read in clusters of rigid bodies
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fix molprop all property/atom mol
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read_data data.box fix molprop NULL Molecules
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orthogonal box = (-19.1447 -19.1447 -0.5) to (19.1447 19.1447 0.5)
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4 by 2 by 1 MPI processor grid
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420 atoms
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set type 1 mass 1.0
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420 settings made for mass
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group big type 1
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420 atoms in group big
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velocity big create 1.44 87287 loop geom
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# equilibrate big particles
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pair_style soft 1.12
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pair_coeff 1 1 0.0
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pair_coeff 2 2 0.0 0.0
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pair_coeff 1 2 0.0 0.0
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variable prefactor equal ramp(0,60)
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fix soft all adapt 1 pair soft a * * v_prefactor
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neighbor 0.3 bin
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neigh_modify delay 0 every 1 check yes
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fix 1 big rigid molecule
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30 rigid bodies with 420 atoms
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fix 2 all enforce2d
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#dump 1 all atom 10 dump.box.equil
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thermo 100
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run 1000
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Memory usage per processor = 0.443016 Mbytes
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Step Temp E_pair E_mol TotEng Press
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0 0 0 0 0 -8.770036
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100 0 3.4203218 0 3.4203218 0.49351517
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200 0 5.3315601 0 5.3315601 0.26965614
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300 0 7.2094878 0 7.2094878 0.43326479
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400 0 9.2008598 0 9.2008598 0.27649318
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500 0 11.562353 0 11.562353 0.60730421
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600 0 13.731564 0 13.731564 0.27272312
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700 0 15.850142 0 15.850142 0.0032862218
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800 0 18.395444 0 18.395444 1.0272658
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900 0 20.3322 0 20.3322 -0.16729762
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1000 0 22.600716 0 22.600716 -0.13023705
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Loop time of 0.0545385 on 8 procs for 1000 steps with 420 atoms
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Pair time (%) = 0.00437456 (8.02105)
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Neigh time (%) = 0.00148079 (2.71512)
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Comm time (%) = 0.0152201 (27.9071)
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Outpt time (%) = 0.000281721 (0.516555)
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Other time (%) = 0.0331814 (60.8402)
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Nlocal: 52.5 ave 67 max 35 min
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Histogram: 1 1 1 0 1 0 0 1 1 2
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Nghost: 30.625 ave 41 max 17 min
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Histogram: 1 0 0 1 1 1 2 0 1 1
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Neighs: 70.25 ave 90 max 44 min
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Histogram: 2 0 0 1 1 0 1 0 0 3
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Total # of neighbors = 562
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Ave neighs/atom = 1.3381
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Neighbor list builds = 158
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Dangerous builds = 0
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#undump 1
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unfix soft
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unfix 1
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unfix 2
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# add small particles as hi density lattice
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region plane block INF INF INF INF -0.001 0.001 units box
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lattice sq 85.0
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Lattice spacing in x,y,z = 0.108465 0.108465 0.108465
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create_atoms 2 region plane
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Created 124609 atoms
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set type 2 mass 0.1
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124609 settings made for mass
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group small type 2
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124609 atoms in group small
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velocity small create 1.0 593849 loop geom
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# delete overlaps
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# must set 1-2 cutoff to non-zero value
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pair_style lj/cut 2.5
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pair_coeff 1 1 1.0 1.0
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pair_coeff 2 2 0.0 1.0 0.0
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pair_coeff 1 2 0.0 1.0 1.0
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delete_atoms overlap 1.0 small big
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Deleted 51030 atoms, new total = 73999
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# SRD run
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reset_timestep 0
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neighbor 0.3 bin
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neigh_modify delay 0 every 1 check yes
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communicate multi group big vel yes
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neigh_modify include big
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# no pairwise interactions with small particles
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pair_style lj/cut 2.5
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pair_coeff 1 1 1.0 1.0
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pair_coeff 2 2 0.0 1.0 0.0
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pair_coeff 1 2 0.0 1.0 0.0
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# use fix SRD to push small particles out from inside big ones
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# if comment out, big particles won't see SRD particles
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timestep 0.001
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fix 1 big rigid molecule
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30 rigid bodies with 420 atoms
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fix 2 small srd 20 big 1.0 0.25 49894 shift yes 54979 search 0.2 collision slip inside ignore overlap yes
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fix 3 all enforce2d
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# diagnostics
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compute tbig big temp/sphere
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variable pebig equal pe*atoms/count(big)
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variable ebig equal etotal*atoms/count(big)
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thermo_style custom step temp f_2[8] 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]
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thermo_modify temp tbig
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WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:438)
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thermo 1000
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#dump 1 all atom 1000 dump.box
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#dump 1 all image 1000 image.*.jpg type type zoom 1.6
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#dump_modify 1 pad 6 adiam 1 1 adiam 2 0.2
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run 100000
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SRD info:
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SRD/big particles = 73579 420
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big particle diameter max/min = 1 1
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SRD temperature & lamda = 1 0.0632456
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SRD max distance & max velocity = 0.252982 12.6491
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SRD grid counts: 153 153 1
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SRD grid size: request, actual (xyz) = 0.25, 0.250257 0.250257 1
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SRD per actual grid cell = 4.05573
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SRD viscosity = 0.229297
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big/SRD mass density ratio = 0.196614
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WARNING: Fix srd grid size > 1/4 of big particle diameter (../fix_srd.cpp:2759)
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# of rescaled SRD velocities = 0
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ave/max small velocity = 4.19668 7.72762
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ave/max big velocity = 2.12757 5.83591
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Memory usage per processor = 13.4256 Mbytes
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Step Temp 2[8] 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]
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0 27.381112 0 0.25599398 42.234595 45.103092 0.74047865 0 0 0 0 0 0 0 0 0 0 0 0
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1000 3.4640099 17794 0.24158286 42.201127 42.564024 10.312083 10282 38 38 0 958 90440 23409 17794 0.83363455 0 69 0
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2000 1.8731193 17757 0.24043583 42.165699 42.361931 8.6094692 10336 34 34 0 1779 90440 23409 17757 0.83414447 0 69 0
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3000 1.2193752 17775 0.24002443 42.161704 42.289448 9.6884156 10041 43 43 0 2420 90440 23409 17775 0.84700093 0 69 0
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4000 1.1297717 17824 0.23999784 42.166405 42.284762 10.426248 10121 39 39 0 3126 90440 23409 17824 0.85633304 0 69 0
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5000 1.1615474 17837 0.24000689 42.164671 42.286357 9.7517646 10150 27 27 0 3852 90440 23409 17837 0.85320758 0 69 0
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6000 0.90652092 17750 0.23996236 42.183542 42.278511 16.586628 9996 56 56 0 4564 90440 23409 17750 0.86506192 0 69 0
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7000 0.83910042 17804 0.23978466 42.159296 42.247202 10.856698 10135 40 40 0 5229 90440 23409 17804 0.85548326 0 69 0
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8000 0.99144403 17793 0.23987007 42.158385 42.262251 9.5637223 10222 32 32 0 5954 90440 23409 17793 0.86291538 0 69 0
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9000 1.1109778 17818 0.2398755 42.14682 42.263208 10.917584 10423 42 42 0 6692 90440 23409 17818 0.86552775 0 69 0
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10000 1.0782518 17840 0.23985498 42.146632 42.259591 8.85358 10308 36 36 0 7397 90440 23409 17840 0.86462939 0 69 0
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11000 1.0268236 17833 0.23980517 42.143244 42.250816 12.172006 10254 44 44 0 8080 90440 23409 17833 0.861416 0 69 0
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12000 1.060866 17842 0.23979196 42.137351 42.248489 10.419562 10353 34 34 0 8810 90440 23409 17842 0.86289215 0 69 0
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13000 1.1876599 17763 0.23989166 42.141633 42.266054 7.8240476 10268 34 34 0 9525 90440 23409 17763 0.87071361 0 69 0
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14000 0.95206604 17823 0.23970806 42.133967 42.233707 12.293388 10359 40 40 0 10306 90440 23409 17823 0.86909841 0 69 0
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15000 1.1155458 17822 0.23974949 42.124139 42.241006 12.521383 10256 36 36 0 11029 90440 23409 17822 0.87234166 0 69 0
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16000 1.1574448 17829 0.2398005 42.128737 42.249993 8.5872634 10044 38 38 0 11766 90440 23409 17829 0.87292148 0 69 0
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17000 0.87868625 17815 0.23968874 42.13825 42.230303 10.488609 10092 37 37 0 12571 90440 23409 17815 0.87070803 0 69 0
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18000 1.1008021 17797 0.23970316 42.117521 42.232843 8.91155 9964 31 31 0 13349 90440 23409 17797 0.87684173 0 69 0
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19000 0.90843127 17832 0.23953614 42.108247 42.203416 10.681924 10353 33 33 0 14070 90440 23409 17832 0.87489631 0 69 0
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20000 1.1525128 17827 0.23958362 42.091043 42.211782 10.324591 10318 42 42 0 14891 90440 23409 17827 0.87472282 0 69 0
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21000 0.97088045 17831 0.23963415 42.118973 42.220685 8.9525609 10150 23 23 0 15681 90440 23409 17831 0.8744301 0 69 0
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22000 0.86024198 17818 0.23946932 42.101523 42.191644 12.817308 9929 47 47 0 16514 90440 23409 17818 0.87940492 0 69 0
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23000 1.0365388 17841 0.23960538 42.107025 42.215615 8.3943475 10190 36 36 0 17300 90440 23409 17841 0.88076259 0 69 0
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24000 1.0134969 17828 0.23957307 42.103748 42.209924 11.013413 10329 40 40 0 18153 90440 23409 17828 0.87875237 0 69 0
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25000 0.90091994 17843 0.23954136 42.109953 42.204335 13.312428 10143 45 45 0 18852 90440 23409 17843 0.87388578 0 69 0
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26000 1.0221933 17846 0.23961351 42.10996 42.217047 9.2279785 10329 35 35 0 19615 90440 23409 17846 0.87558424 0 69 0
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27000 0.93940255 17835 0.23950604 42.099699 42.198112 13.504134 10291 39 39 0 20431 90440 23409 17835 0.87190502 0 69 0
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28000 1.0710516 17829 0.23960837 42.103937 42.216142 7.9022268 10251 35 35 0 21197 90440 23409 17829 0.87583025 0 69 0
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29000 0.83696568 17783 0.23958234 42.123874 42.211556 9.8273998 10121 47 47 0 22044 90440 23409 17783 0.8820577 0 69 0
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30000 1.0180681 17800 0.2396419 42.115395 42.22205 11.18041 10160 39 39 0 22803 90440 23409 17800 0.87992368 0 69 0
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31000 1.233447 17832 0.23970136 42.103307 42.232526 11.388978 10169 45 45 0 23608 90440 23409 17832 0.87847887 0 69 0
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32000 0.96295204 17849 0.23957991 42.110247 42.211128 12.911795 10118 41 41 0 24364 90440 23409 17849 0.87317056 0 69 0
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33000 1.0254742 17836 0.23958855 42.10522 42.21265 11.197726 10202 43 43 0 25162 90440 23409 17836 0.87655301 0 69 0
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34000 1.0255122 17812 0.23948733 42.087383 42.194817 10.238978 10253 42 42 0 25996 90440 23409 17812 0.87150515 0 69 0
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35000 1.0719997 17824 0.23953256 42.090481 42.202785 9.1594527 10190 37 37 0 26786 90440 23409 17824 0.86960071 0 69 0
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36000 0.86929827 17801 0.2394198 42.091849 42.182919 12.021567 10145 36 36 0 27586 90440 23409 17801 0.87124989 0 69 0
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37000 0.9195314 17801 0.23946164 42.093958 42.19029 11.122704 10083 42 43 0 28321 90440 23409 17801 0.87692574 0 69 0
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38000 0.88209926 17821 0.23936949 42.081644 42.174055 9.3732038 10239 37 37 0 29094 90440 23409 17821 0.87364127 0 69 0
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39000 1.0463087 17819 0.23943558 42.076086 42.185699 11.373309 10300 44 44 0 29804 90440 23409 17819 0.87650979 0 69 0
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40000 0.97425688 17807 0.2394417 42.084711 42.186776 13.415635 10171 50 50 0 30544 90440 23409 17807 0.87219589 0 69 0
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41000 1.0314516 17853 0.23945459 42.080991 42.189047 9.7139261 10050 38 38 0 31307 90440 23409 17853 0.87283313 0 69 0
|
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42000 1.0804164 17808 0.23949436 42.082868 42.196055 12.340256 10377 35 35 0 32052 90440 23409 17808 0.87185243 0 69 0
|
||||
43000 1.0687043 17835 0.2394289 42.072563 42.184523 12.276278 10187 41 42 0 32870 90440 23409 17835 0.87231717 0 69 0
|
||||
44000 1.0355523 17787 0.23942635 42.075587 42.184073 13.512133 10013 38 38 0 33661 90440 23409 17787 0.87400868 0 69 0
|
||||
45000 1.194095 17794 0.23944632 42.062495 42.187591 10.205101 10159 30 30 0 34402 90440 23409 17794 0.8739309 0 69 0
|
||||
46000 0.84466181 17796 0.23920256 42.056156 42.144644 10.087591 9986 38 38 1 35149 90440 23409 17796 0.87869701 0 69 0
|
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47000 0.93714931 17806 0.239206 42.047072 42.14525 13.876772 10228 47 47 0 35938 90440 23409 17806 0.87830705 0 69 0
|
||||
48000 0.72949249 17796 0.23910309 42.050694 42.127117 9.8468313 10017 47 47 0 36668 90440 23409 17796 0.87327264 0 69 0
|
||||
49000 1.0645999 17790 0.23930769 42.051637 42.163166 7.4358626 10277 32 32 0 37413 90440 23409 17790 0.8752094 0 69 0
|
||||
50000 0.83794425 17817 0.23913221 42.044463 42.132248 8.9803438 10132 31 33 0 38183 90440 23409 17817 0.87857184 0 69 0
|
||||
51000 1.062864 17789 0.23932593 42.055033 42.166381 17.329071 9926 42 42 1 38978 90440 23409 17789 0.8802125 0 69 0
|
||||
52000 1.1722666 17829 0.23941856 42.059892 42.1827 10.825667 10158 44 44 0 39819 90440 23409 17829 0.87723184 0 69 0
|
||||
53000 1.0628181 17744 0.23938195 42.064907 42.17625 11.797173 10008 34 34 0 40601 90440 23409 17744 0.87283218 0 69 0
|
||||
54000 0.99372853 17841 0.23927037 42.052486 42.156591 12.17125 10068 45 45 0 41361 90440 23409 17841 0.86254752 0 69 0
|
||||
55000 0.98975398 17807 0.23931559 42.06087 42.164558 9.4176785 10050 40 40 0 42113 90440 23409 17807 0.86704764 0 69 0
|
||||
56000 1.2416282 17834 0.23940795 42.050755 42.180831 10.979518 10103 32 32 0 42836 90440 23409 17834 0.87721916 0 69 0
|
||||
57000 1.1624419 17798 0.23935794 42.050239 42.172019 12.160453 10291 47 47 0 43564 90440 23409 17798 0.86494273 0 69 0
|
||||
58000 0.76060878 17840 0.23906489 42.040706 42.120388 10.124046 10057 41 41 0 44303 90440 23409 17840 0.87205383 0 69 0
|
||||
59000 0.8928696 17800 0.23908927 42.031144 42.124683 9.5453786 10054 40 40 0 45052 90440 23409 17800 0.87434651 0 69 0
|
||||
60000 0.94592548 17794 0.23911586 42.03027 42.129367 9.2638612 10243 36 36 0 45825 90440 23409 17794 0.87526045 0 69 0
|
||||
61000 1.1130865 17809 0.23930525 42.046126 42.162735 10.750849 10002 35 35 0 46608 90440 23409 17809 0.8747269 0 69 0
|
||||
62000 1.211348 17822 0.2392555 42.027069 42.153972 7.371417 10008 24 24 0 47366 90440 23409 17822 0.87452709 0 69 0
|
||||
63000 0.80855346 17834 0.23891571 42.009398 42.094104 9.812354 10122 34 34 0 48089 90440 23409 17834 0.86767806 0 69 0
|
||||
64000 1.0823604 17785 0.23907804 42.009314 42.122704 12.694543 9780 40 40 0 48834 90440 23409 17785 0.87010421 0 69 0
|
||||
65000 1.1681262 17819 0.23899593 41.985863 42.108239 13.521338 9939 50 50 0 49566 90440 23409 17819 0.87537564 0 69 0
|
||||
66000 1.0903421 17856 0.23903071 42.00014 42.114366 12.301665 9888 40 40 0 50342 90440 23409 17856 0.87239173 0 69 0
|
||||
67000 1.118394 17844 0.23901798 41.994958 42.112123 8.8459568 9818 25 25 0 51083 90440 23409 17844 0.86584906 0 69 0
|
||||
68000 0.93948628 17859 0.23892088 41.996592 42.095014 14.068409 9749 43 44 0 51827 90440 23409 17859 0.87202088 0 69 0
|
||||
69000 0.990697 17820 0.2389651 41.999019 42.102807 10.194771 9842 40 40 0 52556 90440 23409 17820 0.87288445 0 69 0
|
||||
70000 1.1688722 17813 0.2391014 42.004367 42.12682 8.7519297 9844 29 29 0 53315 90440 23409 17813 0.86525878 0 69 0
|
||||
71000 1.1452575 17818 0.23899789 41.988604 42.108583 8.7612004 9845 40 40 0 54037 90440 23409 17818 0.86500198 0 69 0
|
||||
72000 0.72969657 17836 0.23879062 41.99562 42.072064 11.153851 9829 38 38 0 54737 90440 23409 17836 0.86237278 0 69 0
|
||||
73000 1.3107884 17813 0.23912958 41.994464 42.131785 10.862806 9844 40 40 0 55443 90440 23409 17813 0.86460503 0 69 0
|
||||
74000 1.1126473 17809 0.23897768 41.98846 42.105023 9.663087 10106 35 35 0 56166 90440 23409 17809 0.87193847 0 69 0
|
||||
75000 1.0693301 17794 0.23895603 41.989183 42.101208 8.9374157 10022 32 32 0 56941 90440 23409 17794 0.86326628 0 69 0
|
||||
76000 0.74083943 17831 0.23870905 41.98008 42.057692 7.4143173 10015 37 37 0 57653 90440 23409 17831 0.86354244 0 69 0
|
||||
77000 0.98084748 17842 0.23886095 41.9817 42.084455 9.4554943 9716 31 31 0 58336 90440 23409 17842 0.8620535 0 69 0
|
||||
78000 0.91225901 17815 0.23882673 41.982857 42.078427 13.333677 9926 43 43 1 59053 90440 23409 17815 0.8676841 0 69 0
|
||||
79000 1.1488535 17820 0.2389454 41.978979 42.099335 10.298772 9750 29 29 0 59744 90440 23409 17820 0.86385906 0 69 0
|
||||
80000 0.84064371 17821 0.23872693 41.972776 42.060843 9.8779227 9978 30 30 0 60450 90440 23409 17821 0.8629371 0 69 0
|
||||
81000 1.0935129 17803 0.23886127 41.969953 42.084512 7.1940139 9938 35 35 0 61155 90440 23409 17803 0.86416591 0 69 0
|
||||
82000 1.0216631 17879 0.23884983 41.975465 42.082497 8.6808843 9987 36 36 0 61901 90440 23409 17879 0.87201261 0 69 0
|
||||
83000 1.1155302 17808 0.23890657 41.975628 42.092493 11.387186 10066 49 49 0 62668 90440 23409 17808 0.8655501 0 69 0
|
||||
84000 1.2958273 17773 0.23908145 41.987553 42.123306 11.222215 9969 44 44 0 63341 90440 23409 17773 0.86573453 0 69 0
|
||||
85000 0.74628215 17829 0.23869483 41.977005 42.055187 11.073853 9949 43 43 0 64140 90440 23409 17829 0.86391947 0 69 0
|
||||
86000 0.80359232 17803 0.23872195 41.97578 42.059966 9.6085498 9716 31 31 0 64837 90440 23409 17803 0.865418 0 69 0
|
||||
87000 1.1098155 17802 0.23884012 41.96452 42.080786 13.693733 9576 45 45 0 65543 90440 23409 17802 0.86275585 0 69 0
|
||||
88000 1.1138796 17818 0.23881314 41.95934 42.076033 11.517335 9714 36 36 0 66248 90440 23409 17818 0.85491105 0 69 0
|
||||
89000 0.93926562 17840 0.2387707 41.970156 42.068555 9.6487297 9615 46 46 0 66962 90440 23409 17840 0.85885199 0 69 0
|
||||
90000 1.0870662 17806 0.2388668 41.971603 42.085486 7.4390878 9564 31 31 0 67698 90440 23409 17806 0.86503288 0 69 0
|
||||
91000 1.0454873 17807 0.2388344 41.970251 42.079778 12.514272 9645 46 46 1 68392 90440 23409 17807 0.86550889 0 69 0
|
||||
92000 0.9113326 17794 0.23875573 41.970444 42.065917 7.9745011 9858 31 31 0 69167 90440 23409 17794 0.86294582 0 69 0
|
||||
93000 0.78689269 17806 0.23871392 41.976114 42.05855 7.7081978 9499 35 35 0 69893 90440 23409 17806 0.87091194 0 69 0
|
||||
94000 1.0352085 17794 0.23883458 41.971359 42.079809 14.612099 9789 43 43 0 70667 90440 23409 17794 0.87298934 0 69 0
|
||||
95000 0.91726046 17789 0.2387641 41.971297 42.067391 10.210387 9513 38 38 0 71405 90440 23409 17789 0.87024642 0 69 0
|
||||
96000 0.81485499 17819 0.23874488 41.97864 42.064006 11.759393 9924 42 42 0 72083 90440 23409 17819 0.87063449 0 69 0
|
||||
97000 1.3260071 17811 0.23919656 42.004672 42.143587 9.8667031 9417 44 44 0 72818 90440 23409 17811 0.8655796 0 69 0
|
||||
98000 1.0837996 17805 0.2389241 41.982041 42.095581 7.1836799 9975 23 23 0 73551 90440 23409 17805 0.86800841 0 69 0
|
||||
99000 1.1892528 17831 0.23911593 42.004792 42.12938 9.6721123 9972 36 36 0 74319 90440 23409 17831 0.87381766 0 69 0
|
||||
100000 0.85151797 17820 0.23885094 41.993485 42.082692 12.111833 9709 33 33 0 75042 90440 23409 17820 0.86631253 0 69 0
|
||||
Loop time of 61.6618 on 8 procs for 100000 steps with 73999 atoms
|
||||
|
||||
Pair time (%) = 0.679072 (1.10128)
|
||||
Neigh time (%) = 3.89789 (6.3214)
|
||||
Comm time (%) = 3.42736 (5.55832)
|
||||
Outpt time (%) = 0.0100309 (0.0162676)
|
||||
Other time (%) = 53.6475 (87.0027)
|
||||
|
||||
Nlocal: 9249.88 ave 10571 max 6409 min
|
||||
Histogram: 1 0 0 0 1 0 2 1 0 3
|
||||
Nghost: 66.625 ave 92 max 38 min
|
||||
Histogram: 1 0 2 0 0 2 0 1 0 2
|
||||
Neighs: 345.875 ave 740 max 150 min
|
||||
Histogram: 3 1 0 0 2 1 0 0 0 1
|
||||
|
||||
Total # of neighbors = 2767
|
||||
Ave neighs/atom = 0.0373924
|
||||
Neighbor list builds = 5000
|
||||
Dangerous builds = 0
|
||||
|
||||
Please see the log.cite file for references relevant to this simulation
|
||||
|
||||
@ -1,290 +0,0 @@
|
||||
LAMMPS (9 Sep 2013)
|
||||
# SRD viscosity demo - rigid box particles
|
||||
|
||||
units lj
|
||||
atom_style sphere
|
||||
atom_modify map array first big
|
||||
dimension 2
|
||||
|
||||
# read in clusters of rigid bodies
|
||||
|
||||
fix molprop all property/atom mol
|
||||
read_data data.box fix molprop NULL Molecules
|
||||
orthogonal box = (-19.1447 -19.1447 -0.5) to (19.1447 19.1447 0.5)
|
||||
4 by 2 by 1 MPI processor grid
|
||||
420 atoms
|
||||
|
||||
set type 1 mass 1.0
|
||||
420 settings made for mass
|
||||
group big type 1
|
||||
420 atoms in group big
|
||||
velocity big create 1.44 87287 loop geom
|
||||
|
||||
# equilibrate big particles
|
||||
|
||||
pair_style soft 1.12
|
||||
pair_coeff 1 1 0.0
|
||||
pair_coeff 2 2 0.0 0.0
|
||||
pair_coeff 1 2 0.0 0.0
|
||||
|
||||
variable prefactor equal ramp(0,60)
|
||||
fix soft all adapt 1 pair soft a * * v_prefactor
|
||||
|
||||
neighbor 0.3 bin
|
||||
neigh_modify delay 0 every 1 check yes
|
||||
|
||||
fix 1 big rigid molecule
|
||||
30 rigid bodies with 420 atoms
|
||||
fix 2 all enforce2d
|
||||
|
||||
#dump 1 all atom 10 dump.box.equil
|
||||
|
||||
thermo 100
|
||||
run 1000
|
||||
Memory usage per processor = 0.443016 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 0 0 0 0 -8.770036
|
||||
100 0 3.4203218 0 3.4203218 0.49351517
|
||||
200 0 5.3315601 0 5.3315601 0.26965614
|
||||
300 0 7.2094878 0 7.2094878 0.43326479
|
||||
400 0 9.2008598 0 9.2008598 0.27649318
|
||||
500 0 11.562353 0 11.562353 0.60730421
|
||||
600 0 13.731564 0 13.731564 0.27272312
|
||||
700 0 15.850142 0 15.850142 0.0032862218
|
||||
800 0 18.395444 0 18.395444 1.0272658
|
||||
900 0 20.3322 0 20.3322 -0.16729762
|
||||
1000 0 22.600716 0 22.600716 -0.13023705
|
||||
Loop time of 0.0532217 on 8 procs for 1000 steps with 420 atoms
|
||||
|
||||
Pair time (%) = 0.00440922 (8.28463)
|
||||
Neigh time (%) = 0.00149104 (2.80156)
|
||||
Comm time (%) = 0.0167182 (31.4124)
|
||||
Outpt time (%) = 0.000243604 (0.457716)
|
||||
Other time (%) = 0.0303596 (57.0437)
|
||||
|
||||
Nlocal: 52.5 ave 67 max 35 min
|
||||
Histogram: 1 1 1 0 1 0 0 1 1 2
|
||||
Nghost: 30.625 ave 41 max 17 min
|
||||
Histogram: 1 0 0 1 1 1 2 0 1 1
|
||||
Neighs: 70.25 ave 90 max 44 min
|
||||
Histogram: 2 0 0 1 1 0 1 0 0 3
|
||||
|
||||
Total # of neighbors = 562
|
||||
Ave neighs/atom = 1.3381
|
||||
Neighbor list builds = 158
|
||||
Dangerous builds = 0
|
||||
|
||||
#undump 1
|
||||
unfix soft
|
||||
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 85.0
|
||||
Lattice spacing in x,y,z = 0.108465 0.108465 0.108465
|
||||
create_atoms 2 region plane
|
||||
Created 124609 atoms
|
||||
|
||||
set type 2 mass 0.1
|
||||
124609 settings made for mass
|
||||
group small type 2
|
||||
124609 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 1.0
|
||||
|
||||
delete_atoms overlap 1.0 small big
|
||||
Deleted 51030 atoms, new total = 73999
|
||||
|
||||
# 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 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 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 0.001
|
||||
|
||||
fix 1 big rigid molecule
|
||||
30 rigid bodies with 420 atoms
|
||||
fix 2 small srd 20 big 1.0 0.25 49894 shift yes 54979 search 0.2 collision slip inside ignore overlap yes
|
||||
fix 3 small viscosity 10 x y 50
|
||||
fix 4 all enforce2d
|
||||
|
||||
# diagnostics
|
||||
|
||||
compute tbig big temp/sphere
|
||||
variable pebig equal pe*atoms/count(big)
|
||||
variable ebig equal etotal*atoms/count(big)
|
||||
thermo_style custom step temp f_2[8] 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 atom 1000 dump.box.mp
|
||||
|
||||
#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 = 73579 420
|
||||
big particle diameter max/min = 1 1
|
||||
SRD temperature & lamda = 1 0.0632456
|
||||
SRD max distance & max velocity = 0.252982 12.6491
|
||||
SRD grid counts: 153 153 1
|
||||
SRD grid size: request, actual (xyz) = 0.25, 0.250257 0.250257 1
|
||||
SRD per actual grid cell = 4.05573
|
||||
SRD viscosity = 0.229297
|
||||
big/SRD mass density ratio = 0.196614
|
||||
WARNING: Fix srd grid size > 1/4 of big particle diameter (../fix_srd.cpp:2759)
|
||||
# of rescaled SRD velocities = 0
|
||||
ave/max small velocity = 4.19668 7.72762
|
||||
ave/max big velocity = 2.12757 5.83591
|
||||
Memory usage per processor = 13.4256 Mbytes
|
||||
Step Temp 2[8] 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 27.381112 0 0.25599398 42.234595 45.103092 0.74047865 0 0 0 0 0 0 0 0 0 0 0 0
|
||||
1000 3.0049838 17777 0.24126663 42.1935 42.508307 10.275827 10158 39 39 0 969 90440 23409 17777 0.82992658 0 5 0
|
||||
2000 2.0594027 17777 0.24067675 42.188632 42.404379 11.627774 10292 36 36 0 1771 90440 23409 17777 0.83080952 0 5 0
|
||||
3000 2.4040501 17797 0.24079277 42.172967 42.42482 10.156226 10095 36 36 0 2459 90440 23409 17797 0.83998735 0 5 0
|
||||
4000 2.2632838 17786 0.24072895 42.17647 42.413576 8.3000432 10226 39 39 0 3110 90440 23409 17786 0.84926739 0 11 0
|
||||
5000 2.1615321 17771 0.2406319 42.17003 42.396476 12.614305 10146 42 42 0 3839 90440 23409 17771 0.84253705 0 12 0
|
||||
6000 2.3404925 17788 0.24071728 42.166325 42.41152 8.4651458 10135 26 26 1 4611 90440 23409 17788 0.85083081 0 12 0
|
||||
7000 2.7255145 17818 0.24092294 42.162224 42.447755 11.46372 10080 38 38 0 5374 90440 23409 17818 0.85293665 0 12 0
|
||||
8000 3.365919 17803 0.24133267 42.167324 42.519944 9.3928156 9855 37 37 0 6193 90440 23409 17803 0.86064998 0 12 0
|
||||
9000 3.9996052 17822 0.24169619 42.164986 42.583992 11.684546 10254 45 45 0 7098 90440 23409 17822 0.85610583 0 12 0
|
||||
10000 3.7140801 17805 0.24148598 42.157861 42.546956 9.1699669 10100 26 26 0 7937 90440 23409 17805 0.85065679 0 12 0
|
||||
11000 4.3731562 17827 0.24205487 42.189047 42.647187 9.2341771 10070 41 41 0 8764 90440 23409 17827 0.85807862 0 12 0
|
||||
12000 4.1186516 17820 0.24193208 42.194074 42.625552 11.406041 10255 39 39 0 9655 90440 23409 17820 0.85643788 0 12 0
|
||||
13000 4.762793 17824 0.24236854 42.203492 42.702451 12.157288 10474 47 47 1 10593 90440 23409 17824 0.85306532 0 12 0
|
||||
14000 4.5224167 17792 0.24219742 42.198524 42.672301 7.1302951 10288 23 23 0 11429 90440 23409 17792 0.86236239 0 12 0
|
||||
15000 5.1569684 17782 0.24264166 42.210318 42.750572 10.214491 10093 33 33 0 12370 90440 23409 17782 0.86348982 0 12 0
|
||||
16000 6.5556642 17850 0.24347578 42.210751 42.897534 11.002602 10037 40 40 0 13271 90440 23409 17850 0.85200011 0 12 0
|
||||
17000 5.5387674 17824 0.24266758 42.174887 42.755139 10.385285 10397 36 36 0 14175 90440 23409 17824 0.85533339 0 12 0
|
||||
18000 5.6130858 17801 0.24266531 42.166701 42.754738 9.2072479 10173 31 31 0 15091 90440 23409 17801 0.85880719 0 12 0
|
||||
19000 6.3690838 17731 0.24305026 42.155324 42.822562 11.000565 9904 35 35 0 16055 90440 23409 17731 0.8568314 0 12 0
|
||||
20000 6.5345137 17804 0.24301313 42.131453 42.816021 8.6244348 10271 39 39 0 17065 90440 23409 17804 0.86184074 0 12 0
|
||||
21000 7.8000849 17796 0.24367166 42.114894 42.932046 10.5203 10324 34 34 0 18083 90440 23409 17796 0.85189595 0 12 0
|
||||
22000 7.2889302 17808 0.24348814 42.13611 42.899712 12.592106 10316 40 40 0 19144 90440 23409 17808 0.8551435 0 12 0
|
||||
23000 8.0622172 17796 0.24398439 42.142531 42.987144 10.997293 10207 44 44 0 20246 90440 23409 17796 0.85458036 0 12 0
|
||||
24000 9.1284316 17847 0.24461098 42.141231 43.097543 14.324353 10266 39 39 0 21367 90440 23409 17847 0.84705694 0 12 0
|
||||
25000 9.0312955 17813 0.24455129 42.140891 43.087027 9.8503895 10026 38 38 0 22521 90440 23409 17813 0.84644311 0 12 0
|
||||
26000 9.4732213 17795 0.24480929 42.140049 43.132482 7.2348444 10154 30 30 1 23615 90440 23409 17795 0.85372054 0 12 0
|
||||
27000 9.8524378 17798 0.24513826 42.158283 43.190443 8.8910315 9894 27 27 0 24683 90440 23409 17798 0.84368629 0 12 0
|
||||
28000 9.839534 17794 0.24506721 42.147117 43.177925 8.6536124 9936 36 36 0 25855 90440 23409 17794 0.85902123 0 20 0
|
||||
29000 9.8880033 17788 0.24525763 42.175588 43.211474 12.57859 10393 54 54 0 26999 90440 23409 17788 0.8525183 0 20 0
|
||||
30000 9.9944497 17784 0.24531874 42.175204 43.222242 7.6191563 10160 30 30 0 28150 90440 23409 17784 0.8525876 0 20 0
|
||||
31000 9.4091213 17817 0.24497685 42.176287 43.162004 9.447269 10174 37 37 0 29298 90440 23409 17817 0.85820536 0 20 0
|
||||
32000 9.8338203 17830 0.24533925 42.195645 43.225855 10.392617 10157 41 41 0 30497 90440 23409 17830 0.84673558 0 20 0
|
||||
33000 10.170531 17841 0.24537715 42.167048 43.232533 9.4789613 10317 30 30 0 31653 90440 23409 17841 0.84189893 0 20 0
|
||||
34000 9.3223103 17813 0.24482667 42.158922 43.135545 11.041395 10308 42 42 0 32824 90440 23409 17813 0.84966151 0 20 0
|
||||
35000 10.3926 17793 0.24553346 42.171325 43.260073 9.9878588 10055 46 46 0 34035 90440 23409 17793 0.84654238 0 20 0
|
||||
36000 9.0321397 17754 0.24478751 42.182421 43.128645 9.8056393 10047 34 34 0 35216 90440 23409 17754 0.84780342 0 20 0
|
||||
37000 10.558279 17810 0.2457091 42.184913 43.291018 10.775504 10226 32 32 0 36453 90440 23409 17810 0.84924776 0 20 0
|
||||
38000 10.020575 17810 0.2455366 42.210852 43.260627 9.1515261 10348 37 37 0 37802 90440 23409 17810 0.84427762 0 20 0
|
||||
39000 9.9512554 17827 0.24554005 42.218721 43.261233 9.2917714 10326 33 33 0 39048 90440 23409 17827 0.84214883 0 20 0
|
||||
40000 9.8735348 17774 0.24552032 42.223387 43.257758 11.642544 10168 29 29 0 40364 90440 23409 17774 0.84500349 0 20 0
|
||||
41000 10.365156 17804 0.24566955 42.198177 43.284051 11.008578 10300 42 42 0 41686 90440 23409 17804 0.84403351 0 20 0
|
||||
42000 10.226635 17818 0.24555953 42.193305 43.264667 9.4647805 10114 31 31 0 42984 90440 23409 17818 0.84572892 0 20 0
|
||||
43000 9.8210408 17796 0.24514315 42.162435 43.191305 11.789151 10485 49 49 0 44223 90440 23409 17796 0.84076768 0 20 0
|
||||
44000 7.9254401 17772 0.24398374 42.156747 42.987031 10.041925 10224 32 33 0 45547 90440 23409 17772 0.8483164 0 20 0
|
||||
45000 8.5724312 17801 0.24441451 42.164862 43.062926 10.851835 10248 45 45 0 46831 90440 23409 17801 0.84635099 0 20 0
|
||||
46000 9.5815129 17740 0.24508371 42.177055 43.180832 8.5573763 9951 29 29 1 48174 90440 23409 17740 0.84142197 0 20 0
|
||||
47000 9.2724336 17815 0.24490579 42.178087 43.149485 10.749442 10324 41 41 0 49494 90440 23409 17815 0.84305403 0 20 0
|
||||
48000 9.8698295 17829 0.2453373 42.19153 43.225512 10.992529 10010 44 44 0 50894 90440 23409 17829 0.84635867 0 20 0
|
||||
49000 9.8650214 17775 0.24527147 42.180435 43.213913 9.9258034 10084 40 40 0 52221 90440 23409 17775 0.83690751 0 20 0
|
||||
50000 11.52467 17800 0.24636922 42.199977 43.407323 9.5477158 10105 32 32 0 53667 90440 23409 17800 0.84402538 0 20 0
|
||||
51000 9.5447655 17779 0.24527025 42.213771 43.213698 9.7717222 9994 39 39 1 54997 90440 23409 17779 0.83802916 0 20 0
|
||||
52000 9.9738008 17814 0.24545383 42.201169 43.246043 9.9256895 10405 27 27 0 56351 90440 23409 17814 0.84021845 0 20 0
|
||||
53000 10.294974 17805 0.24553341 42.181543 43.260064 10.07833 10251 43 43 0 57678 90440 23409 17805 0.83588955 0 20 0
|
||||
54000 11.00851 17818 0.24588587 42.16889 43.322163 10.905345 10010 38 38 0 59118 90440 23409 17818 0.83044357 0 20 0
|
||||
55000 12.200856 17797 0.24645934 42.145016 43.423201 10.929419 10103 45 45 0 60512 90440 23409 17797 0.83533437 0 20 0
|
||||
56000 10.240644 17782 0.24544908 42.172377 43.245207 12.311462 9968 39 39 0 61888 90440 23409 17782 0.8334708 0 20 0
|
||||
57000 11.858526 17799 0.24642127 42.174172 43.416493 11.602562 9675 44 44 0 63241 90440 23409 17799 0.83579075 0 20 0
|
||||
58000 9.9579114 17781 0.24522905 42.16323 43.206439 9.8939621 9920 47 47 0 64565 90440 23409 17781 0.83252812 0 20 0
|
||||
59000 9.4966125 17793 0.24495112 42.162588 43.157471 10.243383 9951 39 39 1 65879 90440 23409 17793 0.82795782 0 20 0
|
||||
60000 9.3889539 17763 0.24483753 42.153854 43.137459 6.7498755 9893 26 26 0 67171 90440 23409 17763 0.83255788 0 98 0
|
||||
61000 9.8219129 17760 0.24497944 42.133499 43.162462 10.026948 10063 39 39 0 68464 90440 23409 17760 0.83382901 0 98 0
|
||||
62000 8.9772784 17744 0.24430051 42.102364 43.042841 6.7992672 9830 31 31 0 69793 90440 23409 17744 0.83040933 0 98 0
|
||||
63000 9.4555226 17778 0.2446845 42.119917 43.110495 9.3613489 9507 33 33 0 71025 90440 23409 17778 0.81990914 0 98 0
|
||||
64000 10.822236 17791 0.24553255 42.126154 43.259912 10.978102 9950 44 44 0 72302 90440 23409 17791 0.8205428 0 98 0
|
||||
65000 10.643375 17749 0.24553889 42.146009 43.261029 9.8170035 9751 33 33 0 73657 90440 23409 17749 0.81737668 0 98 0
|
||||
66000 10.65446 17802 0.24577045 42.185645 43.301827 10.068015 9838 38 38 0 74926 90440 23409 17802 0.82017685 0 98 0
|
||||
67000 11.320004 17810 0.24637556 42.222536 43.408441 13.28653 9779 39 39 0 76258 90440 23409 17810 0.82794931 0 98 0
|
||||
68000 11.235171 17769 0.2461615 42.193708 43.370726 11.789643 9847 37 37 0 77534 90440 23409 17769 0.81709561 0 98 0
|
||||
69000 10.833468 17779 0.2459244 42.194017 43.328952 9.0530182 9896 39 39 0 78894 90440 23409 17779 0.82041697 0 98 0
|
||||
70000 11.565202 17794 0.24641358 42.203546 43.415139 6.0770107 9643 29 29 0 80167 90440 23409 17794 0.82167076 0 98 0
|
||||
71000 11.125212 17790 0.24620537 42.212956 43.378454 14.351282 9877 38 38 1 81552 90440 23409 17790 0.82508123 0 98 0
|
||||
72000 12.644174 17763 0.24699557 42.193051 43.517679 10.531064 9953 42 42 0 82972 90440 23409 17763 0.82933853 0 98 0
|
||||
73000 12.165673 17828 0.24657837 42.169674 43.444173 11.982241 10132 39 39 0 84372 90440 23409 17828 0.82853038 0 98 0
|
||||
74000 13.565669 17790 0.24748187 42.182194 43.60336 11.810898 9964 32 32 0 85794 90440 23409 17790 0.83238035 0 98 0
|
||||
75000 13.850885 17779 0.24764619 42.181266 43.632311 11.595796 9829 40 40 0 87294 90440 23409 17779 0.82452835 0 98 0
|
||||
76000 13.730794 17774 0.24760357 42.186337 43.624801 10.314049 9977 39 39 0 88621 90440 23409 17774 0.82554866 0 98 0
|
||||
77000 14.2192 17789 0.24787267 42.182584 43.672214 9.9780185 9834 32 32 0 90146 90440 23409 17789 0.82713865 0 98 0
|
||||
78000 14.316206 17801 0.24800412 42.19558 43.695373 8.3314161 10132 38 39 0 91616 90440 23409 17801 0.82824877 0 98 0
|
||||
79000 13.703006 17815 0.24778437 42.221104 43.656656 8.1390498 10001 35 35 0 93114 90440 23409 17815 0.82396879 0 98 0
|
||||
80000 14.21882 17804 0.24812482 42.227048 43.716639 9.0164253 9950 41 41 0 94643 90440 23409 17804 0.83049102 0 98 0
|
||||
81000 13.61083 17812 0.24765862 42.208604 43.634501 8.7498353 10205 30 30 0 96165 90440 23409 17812 0.83215993 0 98 0
|
||||
82000 14.24814 17780 0.24806178 42.212871 43.705533 8.9596483 9898 33 33 0 97690 90440 23409 17780 0.82682824 0 98 0
|
||||
83000 13.18484 17803 0.24743025 42.212995 43.594264 12.116538 9833 39 39 0 99222 90440 23409 17803 0.82225356 0 98 0
|
||||
84000 12.665093 17787 0.24718115 42.223556 43.550375 7.0430872 9857 33 33 0 100749 90440 23409 17787 0.8216466 0 98 0
|
||||
85000 12.22937 17748 0.24700172 42.23759 43.518762 14.858066 9924 35 35 0 102174 90440 23409 17748 0.82012834 0 98 0
|
||||
86000 11.637126 17741 0.24648333 42.208301 43.427429 8.8309049 10034 38 38 0 103545 90440 23409 17741 0.82310449 0 98 0
|
||||
87000 13.172172 17780 0.24761541 42.246946 43.626888 11.997785 9793 34 34 0 105003 90440 23409 17780 0.8231062 0 98 0
|
||||
88000 13.867288 17774 0.2478372 42.213201 43.665964 13.008322 9930 45 45 0 106424 90440 23409 17774 0.81835323 0 98 0
|
||||
89000 14.409874 17792 0.24817672 42.216177 43.725783 8.9017208 9873 33 33 0 107941 90440 23409 17792 0.812681 0 98 0
|
||||
90000 14.175277 17745 0.24802753 42.21447 43.699499 7.8889612 9838 37 37 0 109384 90440 23409 17745 0.82045281 0 98 0
|
||||
91000 13.80886 17809 0.24773522 42.201354 43.647996 10.153291 10077 34 34 0 110836 90440 23409 17809 0.8142495 0 98 0
|
||||
92000 14.391083 17743 0.24814425 42.212425 43.720062 12.167713 9928 28 28 0 112372 90440 23409 17743 0.82301567 0 98 0
|
||||
93000 13.425843 17771 0.24744975 42.191184 43.597701 10.962936 9854 29 29 0 113801 90440 23409 17771 0.81953388 0 98 0
|
||||
94000 12.969876 17828 0.24733041 42.217925 43.576674 10.432208 10160 32 32 1 115320 90440 23409 17828 0.81861088 0 98 0
|
||||
95000 13.550396 17812 0.24762509 42.209027 43.628593 9.1923817 10139 27 27 0 116845 90440 23409 17812 0.82254819 0 98 0
|
||||
96000 14.303773 17807 0.24819751 42.230956 43.729446 8.2304906 9666 33 33 0 118316 90440 23409 17807 0.82304543 0 98 0
|
||||
97000 14.027408 17825 0.24788054 42.204061 43.673599 11.160576 10211 43 43 0 119812 90440 23409 17825 0.82817945 0 98 0
|
||||
98000 14.515459 17805 0.24814196 42.198993 43.71966 13.355885 10078 43 43 0 121293 90440 23409 17805 0.82291353 0 98 0
|
||||
99000 13.502344 17774 0.24757651 42.205502 43.620034 9.1790624 9865 31 31 0 122780 90440 23409 17774 0.8281067 0 98 0
|
||||
100000 14.173632 17761 0.24801238 42.211971 43.696828 10.204956 9866 35 35 0 124297 90440 23409 17761 0.83321256 0 98 0
|
||||
Loop time of 62.3427 on 8 procs for 100000 steps with 73999 atoms
|
||||
|
||||
Pair time (%) = 0.637287 (1.02223)
|
||||
Neigh time (%) = 3.81362 (6.11719)
|
||||
Comm time (%) = 3.39013 (5.4379)
|
||||
Outpt time (%) = 0.010035 (0.0160965)
|
||||
Other time (%) = 54.4916 (87.4066)
|
||||
|
||||
Nlocal: 9249.88 ave 11502 max 7978 min
|
||||
Histogram: 1 2 2 0 1 0 0 1 0 1
|
||||
Nghost: 53 ave 68 max 41 min
|
||||
Histogram: 3 0 0 0 0 3 0 0 1 1
|
||||
Neighs: 288.625 ave 518 max 152 min
|
||||
Histogram: 2 1 1 1 1 0 0 1 0 1
|
||||
|
||||
Total # of neighbors = 2309
|
||||
Ave neighs/atom = 0.0312031
|
||||
Neighbor list builds = 5000
|
||||
Dangerous builds = 0
|
||||
|
||||
Please see the log.cite file for references relevant to this simulation
|
||||
|
||||
Reference in New Issue
Block a user