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sjplimp
2014-01-30 22:50:33 +00:00
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LAMMPS (1 Feb 2014)
# 2d SRD test: big + small particles
units lj
atom_style sphere
atom_modify first big
dimension 2
# create big particles with sigma 1.0
lattice sq 0.4
Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
region box block 0 10 0 10 -0.5 0.5
create_box 2 box
Created orthogonal box = (0 0 -0.790569) to (15.8114 15.8114 0.790569)
1 by 1 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 diameter 1.0
100 settings made for diameter
group big type 1
100 atoms in group big
velocity big create 1.44 87287 loop geom
# equilibrate big 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
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
fix 1 big nve
fix 2 all enforce2d
run 1000
Memory usage per processor = 2.74778 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1.44 -0.54272 0 0.88288 -0.041088
1000 1.8791467 -0.97185784 0 0.8884974 0.61487656
Loop time of 0.0157461 on 1 procs for 1000 steps with 100 atoms
Pair time (%) = 0.00811386 (51.5293)
Neigh time (%) = 0.00263572 (16.7388)
Comm time (%) = 0.00207138 (13.1549)
Outpt time (%) = 7.86781e-06 (0.0499667)
Other time (%) = 0.00291729 (18.527)
Nlocal: 100 ave 100 max 100 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 88 ave 88 max 88 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 459 ave 459 max 459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 459
Ave neighs/atom = 4.59
Neighbor list builds = 129
Dangerous builds = 0
unfix 1
unfix 2
# add small particles as hi density lattice
lattice sq 0.4
Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
region plane block 0 10 0 10 -0.001 0.001
lattice sq 85.0
Lattice spacing in x,y,z = 0.108465 0.108465 0.108465
create_atoms 2 region plane
Created 21316 atoms
set type 2 mass 0.01
21316 settings made for mass
set type 2 diameter 0.0
21316 settings made for diameter
group small type 2
21316 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 0.5
delete_atoms overlap 0.5 small big
Deleted 6700 atoms, new total = 14716
# 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
timestep 0.001
fix 1 big nve
fix 2 small srd 20 big 1.0 0.25 49894 radius 0.88 search 0.2 collision slip
fix 3 all enforce2d
# diagnostics
compute tbig big temp
variable pebig equal pe*atoms/count(big)
variable ebig equal etotal*atoms/count(big)
thermo_style custom step temp f_2[7] 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[8] f_2[9] f_2[10]
thermo_modify temp tbig
WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:439)
thermo 100
#dump 1 all atom 250 dump.srd.mixture
#dump 2 all image 250 image.*.jpg type type zoom 1.6
#dump_modify 2 pad 4 adiam 1 1 adiam 2 0.2
#dump 3 all movie 250 movie.mpg type type zoom 1.6
#dump_modify 3 pad 4 adiam 1 1 adiam 2 0.2
run 5000
SRD info:
SRD/big particles = 14616 100
big particle diameter max/min = 0.88 0.88
SRD temperature & lamda = 1 0.2
SRD max distance & max velocity = 0.8 40
SRD grid counts: 63 63 1
SRD grid size: request, actual (xyz) = 0.25, 0.250974 0.250974 1.58114
SRD per actual grid cell = 4.86648
SRD viscosity = 0.463448
big/SRD mass density ratio = 2.12808
WARNING: Fix srd grid size > 1/4 of big particle diameter (../fix_srd.cpp:2875)
# of rescaled SRD velocities = 0
ave/max small velocity = 13.2944 24.262
ave/max big velocity = 1.69284 5.10989
Memory usage per processor = 12.7948 Mbytes
Step Temp 2[7] TotEng pebig ebig Press 2[1] 2[2] 2[3] 2[4] 2[5] 2[6] 2[8] 2[9] 2[10]
0 1.8791467 0 0.0060376284 -0.97185784 0.8884974 0.61487656 0 0 0 0 0 0 0 0 0
100 1.1596877 3969 0.00179671 -0.88368702 0.26440384 0.85824544 7578 83 83 0 14 12996 3000 1.0041859 0
200 1.2193121 3969 0.001834514 -0.93715195 0.26996708 0.70474789 7511 90 90 0 53 12996 3022 1.0188814 0
300 0.99964232 3969 -0.00024687038 -1.0259753 -0.036329445 0.17545201 7647 91 91 0 84 12996 3012 1.0119139 0
400 1.0499322 3969 0.00055095426 -0.95835442 0.081078429 0.36186511 7386 108 108 0 111 12996 2998 1.0216118 0
500 1.0774128 3969 0.00085873911 -0.94026661 0.12637205 0.44079381 7472 85 85 0 138 12996 2996 1.0224021 0
600 1.0713454 3969 0.00045284139 -0.99399184 0.066640139 0.10369128 7656 83 83 0 159 12996 3007 1.030888 0
700 0.98148416 3969 0.00027332701 -0.93144651 0.040222802 0.40064794 7616 68 68 0 194 12996 2999 1.0156811 0
800 1.038835 3969 0.00026382768 -0.98962177 0.038824881 0.26546656 7518 100 100 0 217 12996 3018 1.0169426 0
900 1.0976069 3969 0.0005211042 -1.0099451 0.076685694 0.28307539 7658 91 91 0 243 12996 3028 1.037322 0
1000 1.0541417 3969 0.00060061674 -0.95521356 0.088386759 0.61226289 7577 78 78 0 285 12996 2996 1.019357 0
1100 1.0332458 3969 0.00050159758 -0.94909829 0.073815099 0.6685224 7581 79 79 0 317 12996 3000 1.0327932 0
1200 0.89438281 3969 -0.00096584613 -1.0275729 -0.14213392 0.37403554 7576 96 96 0 346 12996 2999 1.0185657 0
1300 1.0211539 3969 2.286332e-05 -1.0075778 0.0033645662 0.56342549 7660 94 94 0 385 12996 2994 1.019908 0
1400 0.99883891 3969 0.00024046091 -0.9534643 0.035386228 0.5689857 7634 82 82 0 416 12996 3022 1.0247654 0
1500 0.93938218 3969 -0.00014395945 -0.95117343 -0.021185072 0.53463026 7632 87 87 0 441 12996 3012 1.0411548 0
1600 1.2197277 3969 0.0011523527 -1.0379502 0.16958023 0.3478121 7659 82 82 0 466 12996 3011 1.0361286 0
1700 0.96932134 3969 -0.00064508306 -1.0545586 -0.094930423 0.29578009 7332 92 92 0 506 12996 2993 1.0361228 0
1800 1.0534784 3969 -4.2619236e-05 -1.0492155 -0.0062718467 0.42534773 7647 94 94 0 533 12996 3030 1.0252953 0
1900 1.1715618 3969 0.00031188504 -1.1139492 0.045897003 0.23182966 7624 78 78 0 557 12996 2987 1.0274073 0
2000 0.9840555 3969 -0.00078568321 -1.0898361 -0.11562114 0.24175316 7571 77 77 0 582 12996 3016 1.0207729 0
2100 0.91303589 3969 -0.001459571 -1.118696 -0.21479047 0.27799152 7668 84 84 0 599 12996 3022 1.024854 0
2200 0.97316562 3969 -0.00087469617 -1.0921543 -0.12872029 0.40701899 7422 96 96 0 634 12996 3003 1.030247 0
2300 1.1071289 3969 0.00055485995 -1.0144044 0.08165319 0.70028696 7242 86 86 0 659 12996 3013 1.0181269 0
2400 0.95313231 3969 -0.00066790967 -1.0418906 -0.098289587 0.56977108 7370 88 88 0 693 12996 3037 1.0174525 0
2500 1.0789299 3969 -0.00067288654 -1.1671626 -0.099021984 0.1320041 7485 84 84 0 723 12996 3011 1.0310304 0
2600 1.0013882 3969 -0.00086378434 -1.1184888 -0.1271145 0.31303314 7412 82 82 0 753 12996 2983 1.0183276 0
2700 0.99821888 3969 -0.00016681979 -1.0127859 -0.024549201 0.71198483 7543 93 93 0 788 12996 3025 1.0179264 0
2800 1.032743 3969 -0.00066018247 -1.119568 -0.097152452 0.34329585 7442 106 106 0 826 12996 2981 1.0218667 0
2900 1.158581 3969 0.00061952386 -1.055826 0.091169131 0.55199976 7462 85 85 0 853 12996 3022 1.0105531 0
3000 1.0890666 3969 -5.0289217e-05 -1.0855765 -0.0074005612 0.35916031 7412 77 77 0 886 12996 2994 1.0387853 0
3100 0.98273391 3969 -0.00062906795 -1.0654802 -0.09257364 0.32240559 7489 71 71 0 922 12996 3007 1.038908 0
3200 1.0182699 3969 -0.00092197839 -1.1437655 -0.13567834 0.060449966 7464 94 94 0 954 12996 3008 1.0137212 0
3300 0.92962276 3969 -0.0012252227 -1.1006303 -0.18030378 0.2692969 7449 98 98 0 985 12996 3011 1.0121446 0
3400 1.0270974 3969 -0.00078991522 -1.1330703 -0.11624392 0.28393475 7555 74 74 0 1013 12996 2981 1.0218996 0
3500 0.91276883 3969 -0.0012028955 -1.0806592 -0.1770181 0.48380351 7422 100 100 0 1045 12996 3019 1.0270228 0
3600 1.1604674 3969 0.00041287296 -1.0881043 0.060758384 0.4937285 7451 78 78 0 1084 12996 3001 1.021449 0
3700 0.92829756 3969 -0.0012843951 -1.1080262 -0.18901158 0.28403593 7502 80 80 0 1106 12996 3011 1.0140255 0
3800 0.99862294 3969 -0.00028587151 -1.0307056 -0.042068851 0.57880501 7353 84 84 0 1136 12996 3011 1.0238774 0
3900 1.0748889 3969 -0.00039644261 -1.1224805 -0.058340495 0.3117021 7199 95 95 0 1169 12996 2997 1.0141241 0
4000 1.1443251 3969 0.00073233367 -1.0251116 0.10777022 0.72975938 7478 90 90 0 1203 12996 3000 1.016123 0
4100 1.0573661 3969 -8.8349019e-05 -1.0597939 -0.013001442 0.62403315 7528 77 77 0 1235 12996 2993 1.0207081 0
4200 0.93387975 3969 -0.0012090318 -1.1024621 -0.17792112 0.50858912 7397 80 80 0 1285 12996 3007 1.0232781 0
4300 0.99747825 3969 -0.00050121316 -1.061262 -0.073758528 0.63526459 7355 90 90 0 1313 12996 3015 1.0210677 0
4400 0.91351004 3969 -0.0013423585 -1.1019164 -0.19754147 0.44962963 7448 94 94 0 1344 12996 3009 1.0203146 0
4500 1.112129 3969 -9.3639925e-05 -1.1147878 -0.013780051 0.5084257 7570 77 77 0 1375 12996 2993 1.0224154 0
4600 1.0070341 3969 -0.00044065884 -1.0618111 -0.064847355 0.50331376 7503 74 74 0 1406 12996 3001 1.0099788 0
4700 1.1678442 3969 0.00045268406 -1.0895488 0.066616986 0.46676039 7514 81 81 0 1436 12996 2983 1.0099861 0
4800 1.1647145 3969 0.00063121154 -1.0601783 0.092889091 0.52493522 7437 89 89 0 1467 12996 3016 1.0214313 0
4900 1.1545752 3969 -0.00015064108 -1.1651978 -0.022168341 0.098732178 7561 85 85 0 1490 12996 2999 1.0108506 0
5000 1.2758575 3969 0.0016719011 -1.017062 0.24603697 0.63374434 7283 77 77 0 1521 12996 2989 1.0136454 0
Loop time of 2.94861 on 1 procs for 5000 steps with 14716 atoms
Pair time (%) = 0.0425909 (1.44444)
Neigh time (%) = 0.207188 (7.02665)
Comm time (%) = 0.0410075 (1.39074)
Outpt time (%) = 0.00202203 (0.0685757)
Other time (%) = 2.6558 (90.0696)
Nlocal: 14716 ave 14716 max 14716 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: 490 ave 490 max 490 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 490
Ave neighs/atom = 0.0332971
Neighbor list builds = 250
Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation

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LAMMPS (1 Feb 2014)
# 2d SRD test: big + small particles
units lj
atom_style sphere
atom_modify first big
dimension 2
# create big particles with sigma 1.0
lattice sq 0.4
Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
region box block 0 10 0 10 -0.5 0.5
create_box 2 box
Created orthogonal box = (0 0 -0.790569) to (15.8114 15.8114 0.790569)
2 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 diameter 1.0
100 settings made for diameter
group big type 1
100 atoms in group big
velocity big create 1.44 87287 loop geom
# equilibrate big 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
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
fix 1 big nve
fix 2 all enforce2d
run 1000
Memory usage per processor = 2.74724 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1.44 -0.54272 0 0.88288 -0.041088
1000 1.8791467 -0.97185784 0 0.8884974 0.61487657
Loop time of 0.0147891 on 4 procs for 1000 steps with 100 atoms
Pair time (%) = 0.00214434 (14.4994)
Neigh time (%) = 0.000745177 (5.03869)
Comm time (%) = 0.00851029 (57.5443)
Outpt time (%) = 2.07424e-05 (0.140255)
Other time (%) = 0.00336856 (22.7773)
Nlocal: 25 ave 26 max 23 min
Histogram: 1 0 0 0 0 0 1 0 0 2
Nghost: 47 ave 48 max 46 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Neighs: 114.75 ave 124 max 100 min
Histogram: 1 0 0 0 0 1 0 0 0 2
Total # of neighbors = 459
Ave neighs/atom = 4.59
Neighbor list builds = 129
Dangerous builds = 0
unfix 1
unfix 2
# add small particles as hi density lattice
lattice sq 0.4
Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
region plane block 0 10 0 10 -0.001 0.001
lattice sq 85.0
Lattice spacing in x,y,z = 0.108465 0.108465 0.108465
create_atoms 2 region plane
Created 21316 atoms
set type 2 mass 0.01
21316 settings made for mass
set type 2 diameter 0.0
21316 settings made for diameter
group small type 2
21316 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 0.5
delete_atoms overlap 0.5 small big
Deleted 6700 atoms, new total = 14716
# 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
timestep 0.001
fix 1 big nve
fix 2 small srd 20 big 1.0 0.25 49894 radius 0.88 search 0.2 collision slip
fix 3 all enforce2d
# diagnostics
compute tbig big temp
variable pebig equal pe*atoms/count(big)
variable ebig equal etotal*atoms/count(big)
thermo_style custom step temp f_2[7] 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[8] f_2[9] f_2[10]
thermo_modify temp tbig
WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:439)
thermo 100
#dump 1 all atom 250 dump.srd.mixture
#dump 2 all image 250 image.*.jpg type type zoom 1.6
#dump_modify 2 pad 4 adiam 1 1 adiam 2 0.2
#dump 3 all movie 250 movie.mpg type type zoom 1.6
#dump_modify 3 pad 4 adiam 1 1 adiam 2 0.2
run 5000
SRD info:
SRD/big particles = 14616 100
big particle diameter max/min = 0.88 0.88
SRD temperature & lamda = 1 0.2
SRD max distance & max velocity = 0.8 40
SRD grid counts: 63 63 1
SRD grid size: request, actual (xyz) = 0.25, 0.250974 0.250974 1.58114
SRD per actual grid cell = 4.86648
SRD viscosity = 0.463448
big/SRD mass density ratio = 2.12808
WARNING: Fix srd grid size > 1/4 of big particle diameter (../fix_srd.cpp:2875)
# of rescaled SRD velocities = 0
ave/max small velocity = 13.2944 24.262
ave/max big velocity = 1.69284 5.10989
Memory usage per processor = 6.52001 Mbytes
Step Temp 2[7] TotEng pebig ebig Press 2[1] 2[2] 2[3] 2[4] 2[5] 2[6] 2[8] 2[9] 2[10]
0 1.8791467 0 0.0060376284 -0.97185784 0.8884974 0.61487657 0 0 0 0 0 0 0 0 0
100 1.4044369 3969 0.0030633087 -0.93959598 0.45079651 0.78900114 7464 99 99 0 17 22500 3005 1.028131 0
200 1.1569395 3969 0.0010544039 -0.99020406 0.15516608 0.50132859 7393 82 82 0 43 22500 2996 1.014347 0
300 1.0082066 3969 1.5754289e-06 -0.99789266 0.00023184012 0.36859357 7443 90 90 0 82 22500 3003 1.0238037 0
400 1.1459472 3969 0.0010570023 -0.97893929 0.15554845 0.47616067 7327 81 81 0 104 22500 2993 1.0108719 0
500 1.0836955 3969 0.00072569678 -0.966065 0.10679354 0.49205907 7447 89 89 0 133 22500 2982 1.0221211 0
600 0.95868561 3969 -0.00031108604 -0.99487817 -0.045779421 0.3676888 7488 90 90 0 162 22500 2994 0.99760594 0
700 0.98121671 3969 -0.00022225428 -1.0041115 -0.03270694 0.3605398 7393 80 80 0 209 22500 2992 1.0032861 0
800 1.0870893 3969 0.00028589178 -1.0341466 0.042071834 0.3576364 7506 96 96 0 241 22500 3004 1.0173044 0
900 1.087553 3969 8.795578e-05 -1.0637339 0.012943573 0.28026879 7405 82 82 0 276 22500 2999 1.0082354 0
1000 1.0160539 3969 7.5618714e-05 -0.99476531 0.01112805 0.60009776 7334 88 88 0 312 22500 2998 1.020285 0
1100 0.94619807 3969 -0.00084794884 -1.0615202 -0.12478415 0.36153566 7565 89 89 0 338 22500 3009 1.0274592 0
1200 1.2187057 3969 0.00079088888 -1.0901314 0.11638721 0.34195358 7558 94 94 0 375 22500 2987 1.0120179 0
1300 1.0297116 3969 -6.2029069e-05 -1.0285427 -0.0091281978 0.44490154 7365 76 76 0 398 22500 2983 1.0132722 0
1400 1.0723726 3969 3.8902675e-05 -1.055924 0.0057249176 0.40617642 7524 90 90 0 439 22500 3009 1.0114417 0
1500 1.0661279 3969 -0.00010841884 -1.0714216 -0.015954917 0.49701435 7285 69 69 0 470 22500 2997 1.0209628 0
1600 1.2175256 3969 0.00087968156 -1.0758964 0.12945394 0.64512981 7286 89 89 0 510 22500 3007 1.0143888 0
1700 1.1985014 3969 0.0014648642 -0.970947 0.21556942 1.0479949 7228 85 85 0 537 22500 2983 1.0107134 0
1800 1.2075839 3969 0.00072247447 -1.0891887 0.10631934 0.57872746 7449 87 87 0 561 22500 2992 1.011785 0
1900 1.2255534 3969 0.00088656095 -1.0828315 0.13046631 0.65685308 7385 76 76 0 581 22500 3003 0.99158619 0
2000 1.291624 3969 0.0012489132 -1.0949177 0.18379006 0.54486534 7460 88 88 0 609 22500 2985 1.0084802 0
2100 1.1111637 3969 8.680692e-05 -1.0872776 0.012774506 0.54623825 7399 79 79 0 652 22500 2974 0.99115959 0
2200 1.1101509 3969 -0.00019790624 -1.1281733 -0.029123882 0.36938914 7394 80 80 0 687 22500 3009 1.0098928 0
2300 0.99008142 3969 -0.0010221939 -1.1306067 -0.15042605 0.49715741 7403 77 77 0 707 22500 2997 0.99398166 0
2400 1.1298599 3969 -0.00028442155 -1.1604168 -0.041855476 0.62622034 7213 99 99 0 739 22500 2981 1.0151717 0
2500 0.96755195 3969 -0.0013882655 -1.1621736 -0.20429715 0.53854953 7302 91 91 0 762 22500 2981 1.0095159 0
2600 0.92289325 3969 -0.0018295583 -1.1829021 -0.2692378 0.48117908 7387 114 114 0 796 22500 2984 0.99596772 0
2700 1.0556828 3969 -0.0010119543 -1.1940452 -0.14891919 0.38438637 7379 77 77 0 821 22500 2990 0.9995489 0
2800 0.96725457 3969 -0.0014988251 -1.1781491 -0.2205671 0.45335869 7311 77 77 0 850 22500 3000 1.0021877 0
2900 1.0133684 3969 -0.0012783239 -1.1913529 -0.18811815 0.47922787 7445 91 91 0 871 22500 3012 1.0157316 0
3000 0.97710883 3969 -0.0011590153 -1.1378984 -0.17056069 0.64470243 7454 90 90 0 907 22500 2982 0.99909177 0
3100 0.85234697 3969 -0.002077265 -1.1495138 -0.30569031 0.55071072 7386 95 95 0 935 22500 2963 1.0015568 0
3200 1.052911 3969 -0.00084248304 -1.1663617 -0.1239798 0.49920749 7410 84 84 0 962 22500 3023 1.0268965 0
3300 1.1427076 3969 0.00052348324 -1.0542447 0.077035793 0.97657677 7268 70 70 0 999 22500 2991 1.0309378 0
3400 1.1749571 3969 -0.00049301879 -1.2357602 -0.072552645 0.2551001 7443 77 77 0 1024 22500 2992 1.0153988 0
3500 0.99448585 3969 -0.0015705474 -1.2156628 -0.23112176 0.31069295 7502 97 97 0 1051 22500 2999 1.0325626 0
3600 1.0615674 3969 -0.00088670873 -1.1814398 -0.13048806 0.42774035 7386 70 70 0 1075 22500 3015 1.0004252 0
3700 0.92549328 3969 -0.0018599812 -1.1899532 -0.27371483 0.36471531 7459 81 81 0 1106 22500 3009 1.0256903 0
3800 0.85987993 3969 -0.0018189231 -1.1189538 -0.26767272 0.42802928 7232 75 75 0 1134 22500 2973 1.0167911 0
3900 0.92111833 3969 -0.0011824977 -1.0859235 -0.17401636 0.73992354 7351 80 80 0 1165 22500 3024 1.0274158 0
4000 0.91817371 3969 -0.0014469814 -1.1219298 -0.21293778 0.64725317 7478 86 86 0 1195 22500 3003 1.0213446 0
4100 1.0607641 3969 -0.00061451533 -1.1405885 -0.090432076 0.54575249 7474 87 87 0 1222 22500 3005 1.0432431 0
4200 1.1112883 3969 0.00012926229 -1.0811532 0.019022238 0.71771029 7527 67 67 0 1261 22500 2995 1.0263853 0
4300 1.3096702 3969 0.00060322354 -1.2078031 0.088770376 0.31006723 7617 88 88 0 1298 22500 2997 1.0462257 0
4400 1.2076765 3969 0.001009301 -1.047071 0.14852873 0.83105522 7355 97 97 0 1333 22500 2972 1.0438217 0
4500 0.94049473 3969 -0.0011505342 -1.1004024 -0.16931262 0.46258624 7403 78 78 0 1360 22500 3004 1.0378682 0
4600 0.8241741 3969 -0.0025714658 -1.1943493 -0.37841691 0.010193689 7604 99 99 0 1393 22500 3031 1.0288913 0
4700 0.98678642 3969 -0.0011664864 -1.1485787 -0.17166013 0.16963181 7691 94 94 0 1421 22500 3008 1.0074925 0
4800 0.97602307 3969 -0.0010910984 -1.1268289 -0.16056604 0.24433738 7547 85 85 0 1453 22500 2991 1.0124834 0
4900 1.0427787 3969 -0.00050976935 -1.1073686 -0.075017657 0.30774039 7563 85 85 0 1494 22500 2994 1.0235529 0
5000 1.3048873 3969 0.0015736036 -1.0602669 0.23157151 0.49881308 7529 104 104 0 1524 22500 2984 1.0094313 0
Loop time of 0.868197 on 4 procs for 5000 steps with 14716 atoms
Pair time (%) = 0.0116689 (1.34403)
Neigh time (%) = 0.0541446 (6.23644)
Comm time (%) = 0.0662674 (7.63276)
Outpt time (%) = 0.00228554 (0.263251)
Other time (%) = 0.733831 (84.5235)
Nlocal: 3679 ave 4052 max 3370 min
Histogram: 1 0 0 1 1 0 0 0 0 1
Nghost: 49 ave 53 max 42 min
Histogram: 1 0 0 0 0 0 0 1 1 1
Neighs: 120.5 ave 162 max 85 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Total # of neighbors = 482
Ave neighs/atom = 0.0327535
Neighbor list builds = 250
Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation

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LAMMPS (1 Feb 2014)
# 2d SRD only test
units lj
atom_style atomic
atom_modify first empty
dimension 2
# create box with big lattice
lattice sq 0.4
Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
region box block 0 10 0 10 -0.5 0.5
create_box 1 box
Created orthogonal box = (0 0 -0.790569) to (15.8114 15.8114 0.790569)
1 by 1 by 1 MPI processor grid
# add SRD particles as hi density lattice
lattice sq 0.4
Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
region plane block 0 10 0 10 -0.001 0.001
lattice sq 85.0
Lattice spacing in x,y,z = 0.108465 0.108465 0.108465
create_atoms 1 region plane
Created 21316 atoms
group empty type 2
0 atoms in group empty
mass 1 0.01
velocity all create 1.0 593849 loop geom
# settings - need dummy empty group to enable no communication
neighbor 0.3 bin
neigh_modify delay 1 every 1 check no
communicate single group empty
# timestep is big and SRD frequency is 1
timestep 0.02
fix 1 all srd 1 NULL 1.0 0.25 49894 collision slip
fix 2 all enforce2d
# diagnostics
thermo_style custom step temp f_1[7] etotal press f_1[3] f_1[4] f_1[6]
thermo 100
#dump 1 all atom 250 dump.srd.pure
#dump 2 all image 250 image.*.jpg type type zoom 1.6 adiam 0.2
#dump_modify 2 pad 4
#dump 3 all movie 250 movie.mpg type type zoom 1.6 adiam 0.2
#dump_modify 3 pad 4
run 5000
SRD info:
SRD/big particles = 21316 0
big particle diameter max/min = 0 1e+20
SRD temperature & lamda = 1 0.2
SRD max distance & max velocity = 0.8 40
SRD grid counts: 63 63 1
SRD grid size: request, actual (xyz) = 0.25, 0.250974 0.250974 1.58114
SRD per actual grid cell = 5.37062
SRD viscosity = 0.439647
big/SRD mass density ratio = 0
# of rescaled SRD velocities = 0
ave/max all velocity = 13.2735 24.2873
Memory usage per processor = 4.83622 Mbytes
Step Temp 1[7] TotEng Press 1[3] 1[4] 1[6]
0 1 0 0.99995309 85.26 0 0 0
100 0.97820615 3969 0.97816026 83.401857 0 0 0
200 0.9609326 3969 0.96088752 81.929113 0 0 0
300 0.94460302 3969 0.9445587 80.536853 0 0 0
400 0.93098293 3969 0.93093925 79.375605 0 0 0
500 0.91803208 3969 0.91798901 78.271415 0 0 0
600 0.90779378 3969 0.90775119 77.398497 0 0 0
700 0.89695247 3969 0.89691039 76.474168 0 0 0
800 0.88637078 3969 0.88632919 75.571972 0 0 0
900 0.87833669 3969 0.87829548 74.886986 0 0 0
1000 0.87030089 3969 0.87026006 74.201854 0 0 0
1100 0.86318709 3969 0.86314659 73.595331 0 0 0
1200 0.85736665 3969 0.85732643 73.099081 0 0 0
1300 0.85147901 3969 0.85143906 72.5971 0 0 0
1400 0.84496088 3969 0.84492124 72.041365 0 0 0
1500 0.83857476 3969 0.83853542 71.496884 0 0 0
1600 0.8336916 3969 0.83365249 71.080546 0 0 0
1700 0.82954371 3969 0.8295048 70.726897 0 0 0
1800 0.82570979 3969 0.82567105 70.400016 0 0 0
1900 0.82189413 3969 0.82185557 70.074693 0 0 0
2000 0.81818525 3969 0.81814687 69.758475 0 0 0
2100 0.81436257 3969 0.81432436 69.432552 0 0 0
2200 0.80997949 3969 0.80994149 69.058851 0 0 0
2300 0.80685831 3969 0.80682045 68.792739 0 0 0
2400 0.80374622 3969 0.80370851 68.527402 0 0 0
2500 0.80103773 3969 0.80100015 68.296477 0 0 0
2600 0.79858358 3969 0.79854611 68.087236 0 0 0
2700 0.79617295 3969 0.7961356 67.881706 0 0 0
2800 0.79312496 3969 0.79308775 67.621834 0 0 0
2900 0.79126456 3969 0.79122744 67.463216 0 0 0
3000 0.78897033 3969 0.78893331 67.26761 0 0 0
3100 0.78632296 3969 0.78628607 67.041895 0 0 0
3200 0.78442284 3969 0.78438604 66.879892 0 0 0
3300 0.78168316 3969 0.78164649 66.646306 0 0 0
3400 0.7788658 3969 0.77882926 66.406098 0 0 0
3500 0.77703408 3969 0.77699762 66.249925 0 0 0
3600 0.77441139 3969 0.77437506 66.026315 0 0 0
3700 0.7723528 3969 0.77231656 65.850799 0 0 0
3800 0.77019626 3969 0.77016013 65.666933 0 0 0
3900 0.76835687 3969 0.76832082 65.510107 0 0 0
4000 0.76701071 3969 0.76697473 65.395333 0 0 0
4100 0.76552115 3969 0.76548523 65.268333 0 0 0
4200 0.76360426 3969 0.76356843 65.104899 0 0 0
4300 0.76173186 3969 0.76169613 64.945259 0 0 0
4400 0.75933463 3969 0.759299 64.74087 0 0 0
4500 0.75806391 3969 0.75802835 64.632529 0 0 0
4600 0.75692832 3969 0.75689281 64.535709 0 0 0
4700 0.75569109 3969 0.75565564 64.430222 0 0 0
4800 0.75446697 3969 0.75443157 64.325854 0 0 0
4900 0.75276753 3969 0.75273221 64.180959 0 0 0
5000 0.75113693 3969 0.75110169 64.041935 0 0 0
Loop time of 7.7539 on 1 procs for 5000 steps with 21316 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 5.22542 (67.3908)
Comm time (%) = 0.631161 (8.13992)
Outpt time (%) = 0.00308609 (0.0398005)
Other time (%) = 1.89424 (24.4295)
Nlocal: 21316 ave 21316 max 21316 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 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 = 5000
Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation

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LAMMPS (1 Feb 2014)
# 2d SRD only test
units lj
atom_style atomic
atom_modify first empty
dimension 2
# create box with big lattice
lattice sq 0.4
Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
region box block 0 10 0 10 -0.5 0.5
create_box 1 box
Created orthogonal box = (0 0 -0.790569) to (15.8114 15.8114 0.790569)
2 by 2 by 1 MPI processor grid
# add SRD particles as hi density lattice
lattice sq 0.4
Lattice spacing in x,y,z = 1.58114 1.58114 1.58114
region plane block 0 10 0 10 -0.001 0.001
lattice sq 85.0
Lattice spacing in x,y,z = 0.108465 0.108465 0.108465
create_atoms 1 region plane
Created 21316 atoms
group empty type 2
0 atoms in group empty
mass 1 0.01
velocity all create 1.0 593849 loop geom
# settings - need dummy empty group to enable no communication
neighbor 0.3 bin
neigh_modify delay 1 every 1 check no
communicate single group empty
# timestep is big and SRD frequency is 1
timestep 0.02
fix 1 all srd 1 NULL 1.0 0.25 49894 collision slip
fix 2 all enforce2d
# diagnostics
thermo_style custom step temp f_1[7] etotal press f_1[3] f_1[4] f_1[6]
thermo 100
#dump 1 all atom 250 dump.srd.pure
#dump 2 all image 250 image.*.jpg type type zoom 1.6 adiam 0.2
#dump_modify 2 pad 4
#dump 3 all movie 250 movie.mpg type type zoom 1.6 adiam 0.2
#dump_modify 3 pad 4
run 5000
SRD info:
SRD/big particles = 21316 0
big particle diameter max/min = 0 1e+20
SRD temperature & lamda = 1 0.2
SRD max distance & max velocity = 0.8 40
SRD grid counts: 63 63 1
SRD grid size: request, actual (xyz) = 0.25, 0.250974 0.250974 1.58114
SRD per actual grid cell = 5.37062
SRD viscosity = 0.439647
big/SRD mass density ratio = 0
# of rescaled SRD velocities = 0
ave/max all velocity = 13.2735 24.2873
Memory usage per processor = 1.5432 Mbytes
Step Temp 1[7] TotEng Press 1[3] 1[4] 1[6]
0 1 0 0.99995309 85.26 0 0 0
100 0.97718565 3969 0.97713981 83.314849 0 0 0
200 0.95953504 3969 0.95949002 81.809957 0 0 0
300 0.94384163 3969 0.94379735 80.471937 0 0 0
400 0.93018267 3969 0.93013903 79.307374 0 0 0
500 0.9189656 3969 0.91892248 78.351007 0 0 0
600 0.90794939 3969 0.9079068 77.411765 0 0 0
700 0.899123 3969 0.89908081 76.659227 0 0 0
800 0.89045828 3969 0.89041651 75.920473 0 0 0
900 0.88189664 3969 0.88185527 75.190507 0 0 0
1000 0.87511065 3969 0.87506959 74.611934 0 0 0
1100 0.86844868 3969 0.86840794 74.043934 0 0 0
1200 0.86236759 3969 0.86232713 73.52546 0 0 0
1300 0.85644064 3969 0.85640047 73.020129 0 0 0
1400 0.85088468 3969 0.85084476 72.546428 0 0 0
1500 0.84573938 3969 0.8456997 72.107739 0 0 0
1600 0.84169541 3969 0.84165592 71.76295 0 0 0
1700 0.83686816 3969 0.8368289 71.351379 0 0 0
1800 0.83199161 3969 0.83195258 70.935605 0 0 0
1900 0.82774228 3969 0.82770345 70.573307 0 0 0
2000 0.82446049 3969 0.82442181 70.293501 0 0 0
2100 0.82065145 3969 0.82061295 69.968743 0 0 0
2200 0.81761922 3969 0.81758087 69.710215 0 0 0
2300 0.81355286 3969 0.8135147 69.363517 0 0 0
2400 0.81040375 3969 0.81036573 69.095024 0 0 0
2500 0.80651947 3969 0.80648164 68.76385 0 0 0
2600 0.80304949 3969 0.80301181 68.467999 0 0 0
2700 0.80027966 3969 0.80024211 68.231843 0 0 0
2800 0.79726989 3969 0.79723248 67.97523 0 0 0
2900 0.79526953 3969 0.79523222 67.80468 0 0 0
3000 0.79213985 3969 0.79210268 67.537843 0 0 0
3100 0.79008514 3969 0.79004808 67.362659 0 0 0
3200 0.78760949 3969 0.78757254 67.151585 0 0 0
3300 0.78482758 3969 0.78479077 66.9144 0 0 0
3400 0.78225219 3969 0.7822155 66.694822 0 0 0
3500 0.78019518 3969 0.78015858 66.519441 0 0 0
3600 0.7782201 3969 0.77818359 66.351045 0 0 0
3700 0.77626555 3969 0.77622913 66.184401 0 0 0
3800 0.77429464 3969 0.77425832 66.016361 0 0 0
3900 0.7728635 3969 0.77282724 65.894342 0 0 0
4000 0.7712408 3969 0.77120462 65.75599 0 0 0
4100 0.76928811 3969 0.76925202 65.589504 0 0 0
4200 0.76768117 3969 0.76764516 65.452497 0 0 0
4300 0.76576395 3969 0.76572802 65.289034 0 0 0
4400 0.76375476 3969 0.76371893 65.117731 0 0 0
4500 0.76222055 3969 0.76218479 64.986924 0 0 0
4600 0.76007803 3969 0.76004237 64.804252 0 0 0
4700 0.75921155 3969 0.75917594 64.730377 0 0 0
4800 0.75699084 3969 0.75695533 64.541039 0 0 0
4900 0.75590428 3969 0.75586882 64.448399 0 0 0
5000 0.75435525 3969 0.75431986 64.316328 0 0 0
Loop time of 1.83036 on 4 procs for 5000 steps with 21316 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0.983628 (53.7394)
Comm time (%) = 0.316691 (17.3021)
Outpt time (%) = 0.00219667 (0.120013)
Other time (%) = 0.527849 (28.8385)
Nlocal: 5329 ave 5410 max 5266 min
Histogram: 1 0 0 2 0 0 0 0 0 1
Nghost: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Total # of neighbors = 0
Ave neighs/atom = 0
Neighbor list builds = 5000
Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation