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2015-05-15 19:36:25 +00:00
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LAMMPS (30 Apr 2015)
# 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
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 2.8
Memory usage per processor = 3.60175 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 0.0151811 on 1 procs for 1000 steps with 100 atoms
Pair time (%) = 0.00822663 (54.1901)
Neigh time (%) = 0.00284338 (18.7298)
Comm time (%) = 0.00147557 (9.71982)
Outpt time (%) = 7.15256e-06 (0.047115)
Other time (%) = 0.00262833 (17.3132)
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
Neighbor list info ...
2 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 2.8
WARNING: Delete_atoms cutoff > minimum neighbor cutoff (../delete_atoms.cpp:277)
Deleted 6700 atoms, new total = 14716
# SRD run
reset_timestep 0
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
comm_modify mode 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:445)
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:2884)
# of rescaled SRD velocities = 0
ave/max small velocity = 13.2944 24.262
ave/max big velocity = 1.69284 5.10989
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 2.8
Memory usage per processor = 14.7783 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 -0.88368701 0.26440385 0.85824547 7578 83 83 0 14 12996 3000 1.0041859 0
200 1.2193132 3969 0.0018345215 -0.93715187 0.26996819 0.70474845 7511 90 90 0 53 12996 3022 1.0188815 0
300 0.99431764 3969 -0.00029373076 -1.0275999 -0.043225419 0.17829084 7619 83 83 0 89 12996 3013 1.0200287 0
400 1.0357776 3969 0.00051788234 -0.94920826 0.076211565 0.43014085 7571 85 85 0 120 12996 3004 1.0370684 0
500 1.0481683 3969 0.0010184986 -0.88780442 0.14988225 0.70052984 7584 77 77 0 152 12996 3009 1.0142095 0
600 1.1928825 3969 0.00095759759 -1.0400336 0.14092006 0.21451332 7494 69 69 0 195 12996 2993 1.0228103 0
700 1.0524078 3969 0.00035360799 -0.9898468 0.052036951 0.42873114 7693 85 85 0 216 12996 3008 1.0054139 0
800 0.90603094 3969 -0.00092639686 -1.0332992 -0.13632856 0.25916674 7671 99 99 0 247 12996 2966 1.0361445 0
900 1.0636972 3969 0.00041617364 -0.99181615 0.061244113 0.58497843 7657 87 87 0 282 12996 2992 1.0161879 0
1000 1.0507488 3969 -0.0001556117 -1.0631411 -0.022899818 0.47566195 7465 94 94 0 326 12996 3030 0.99530538 0
1100 0.93006509 3969 -0.0003550828 -0.97301843 -0.052253985 0.77031309 7474 90 90 0 347 12996 3004 1.0214319 0
1200 1.0402459 3969 -0.00046600382 -1.0984205 -0.068577122 0.31255586 7396 78 78 0 385 12996 3010 1.0176572 0
1300 1.0520892 3969 -1.0354518e-06 -1.0417207 -0.00015237708 0.50280759 7529 81 81 0 415 12996 3000 1.0305024 0
1400 1.0166314 3969 -0.00076800379 -1.1194845 -0.11301944 0.25711665 7525 93 93 0 443 12996 3001 1.031584 0
1500 0.99218489 3969 -0.00098822242 -1.1276898 -0.14542681 0.25260367 7495 93 93 0 474 12996 2995 1.0242311 0
1600 1.1064178 3969 -0.00017916094 -1.121719 -0.026365324 0.47764294 7505 94 94 0 506 12996 3022 1.0136332 0
1700 1.1431125 3969 0.00094430031 -0.9927181 0.13896323 1.0995941 7474 88 88 0 539 12996 3003 1.0341733 0
1800 1.0222823 3969 -0.00059038783 -1.098941 -0.086881473 0.62506101 7310 87 87 0 586 12996 2981 1.0382713 0
1900 0.95084674 3969 -0.0015534806 -1.1699485 -0.22861021 0.2701615 7623 87 87 0 624 12996 3003 1.0181489 0
2000 1.0861079 3969 -0.00065855134 -1.1721593 -0.096912415 0.34276301 7470 90 90 0 660 12996 3015 1.0268618 0
2100 0.88345526 3969 -0.0016997139 -1.1247506 -0.2501299 0.43045597 7532 82 82 0 688 12996 3006 1.0124018 0
2200 0.92745839 3969 -0.0010657957 -1.0750263 -0.15684249 0.67080961 7508 84 84 0 719 12996 3010 1.0232807 0
2300 0.88367737 3969 -0.001454046 -1.088818 -0.21397742 0.63475334 7430 99 99 0 746 12996 2993 1.0344177 0
2400 0.87359171 3969 -0.0012946593 -1.0553779 -0.19052207 0.58406648 7454 96 96 0 780 12996 2981 1.0343798 0
2500 0.96618275 3969 -0.0010799782 -1.1154505 -0.1589296 0.32223081 7515 83 83 0 807 12996 3021 1.0142273 0
2600 0.86458041 3969 -0.0015382749 -1.0823071 -0.22637254 0.25396199 7489 91 91 0 828 12996 2980 1.0291839 0
2700 0.98390726 3969 -0.00079291155 -1.0907531 -0.11668486 0.30335914 7395 79 79 0 854 12996 3010 1.0120521 0
2800 1.0033122 3969 -0.0001965439 -1.0222025 -0.0289234 0.66093465 7387 68 68 0 888 12996 2980 1.0251477 0
2900 1.222899 3969 0.0012034132 -1.0335757 0.17709428 0.65880933 7386 85 85 0 919 12996 3004 1.0162822 0
3000 1.002035 3969 -0.00054872208 -1.0727646 -0.080749941 0.34444254 7466 83 83 0 952 12996 3016 1.0122263 0
3100 1.206972 3969 0.0011369559 -1.0275879 0.16731443 0.51852441 7468 84 84 0 992 12996 3025 1.0099007 0
3200 1.0856646 3969 0.00014959203 -1.052794 0.022013964 0.3410219 7417 84 84 0 1032 12996 2976 1.0135289 0
3300 1.3331295 3969 0.0019856133 -1.0275953 0.29220285 0.47025792 7524 69 69 0 1062 12996 3018 1.0255776 0
3400 0.84929817 3969 -0.00098128795 -0.98521153 -0.14440633 0.36010527 7428 83 83 0 1101 12996 3014 1.0270963 0
3500 1.1302394 3969 0.00036763215 -1.0648363 0.054100747 0.1522826 7572 90 90 0 1119 12996 3012 1.0289088 0
3600 1.1936576 3969 0.00056858904 -1.0980475 0.083673563 0.23906343 7602 101 101 0 1158 12996 2995 1.0275146 0
3700 1.1286007 3969 0.0010142941 -0.96805122 0.14926351 0.72687935 7415 84 84 0 1198 12996 3018 1.0256527 0
3800 1.1244276 3969 0.00071868084 -1.0074222 0.10576107 0.44091142 7476 84 84 0 1231 12996 2984 1.0453126 0
3900 0.98213284 3969 -0.0008786738 -1.1016171 -0.12930564 0.069507795 7445 88 88 0 1267 12996 3017 1.0203869 0
4000 1.1632971 3969 0.00073199788 -1.0439433 0.10772081 0.50304552 7602 101 101 0 1301 12996 3021 1.0219416 0
4100 1.060029 3969 -0.00023302512 -1.0837207 -0.034291977 0.36492957 7538 77 77 0 1326 12996 2997 1.017007 0
4200 0.97057567 3969 -0.00052048968 -1.0374652 -0.076595262 0.3008083 7683 82 82 0 1363 12996 3010 1.0339142 0
4300 1.0562211 3969 -0.00040298636 -1.1049624 -0.059303473 0.12322043 7511 84 84 0 1386 12996 2991 1.035082 0
4400 0.97383798 3969 8.961738e-05 -0.95091151 0.013188094 0.68597762 7669 103 103 0 1420 12996 3010 1.0141431 0
4500 0.94750799 3969 -0.00086783826 -1.065744 -0.12771108 0.2109101 7739 96 96 0 1452 12996 3012 1.0244541 0
4600 1.1123048 3969 0.00016640454 -1.0766937 0.024488092 0.24736079 7615 75 75 0 1493 12996 3013 1.0013601 0
4700 1.0624886 3969 -1.2753265e-05 -1.0537404 -0.0018767705 0.29324615 7568 91 91 0 1524 12996 2997 1.019485 0
4800 1.2169028 3969 0.0010831546 -1.0453368 0.15939704 0.42728069 7444 80 80 0 1560 12996 2997 1.0300677 0
4900 0.90968786 3969 -0.0010022199 -1.0480777 -0.14748667 0.37681568 7563 88 88 0 1592 12996 2997 1.0257714 0
5000 1.0856525 3969 0.0001301746 -1.0556395 0.019156494 0.55496941 7439 78 78 0 1633 12996 3008 1.0343075 0
Loop time of 2.98794 on 1 procs for 5000 steps with 14716 atoms
Pair time (%) = 0.0434334 (1.45363)
Neigh time (%) = 0.210146 (7.03315)
Comm time (%) = 0.0289178 (0.967818)
Outpt time (%) = 0.00276232 (0.092449)
Other time (%) = 2.70268 (90.453)
Nlocal: 14716 ave 14716 max 14716 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 86 ave 86 max 86 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 467 ave 467 max 467 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 467
Ave neighs/atom = 0.0317342
Neighbor list builds = 250
Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation

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LAMMPS (30 Apr 2015)
# 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
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 2.8
Memory usage per processor = 3.60121 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 0.0145814 on 4 procs for 1000 steps with 100 atoms
Pair time (%) = 0.0021292 (14.6021)
Neigh time (%) = 0.000770807 (5.28622)
Comm time (%) = 0.00848264 (58.1742)
Outpt time (%) = 2.12789e-05 (0.145931)
Other time (%) = 0.00317752 (21.7916)
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
Neighbor list info ...
2 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 2.8
WARNING: Delete_atoms cutoff > minimum neighbor cutoff (../delete_atoms.cpp:277)
Deleted 6700 atoms, new total = 14716
# SRD run
reset_timestep 0
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
comm_modify mode 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:445)
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:2884)
# of rescaled SRD velocities = 0
ave/max small velocity = 13.2944 24.262
ave/max big velocity = 1.69284 5.10989
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
master list distance cutoff = 2.8
Memory usage per processor = 5.3246 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 0.0030633093 -0.93959598 0.4507966 0.78900119 7464 99 99 0 17 22500 3005 1.028131 0
200 1.1569383 3969 0.0010543995 -0.99020352 0.15516543 0.50132981 7393 82 82 0 43 22500 2996 1.014347 0
300 0.97802835 3969 -0.00019991154 -0.99766705 -0.029418982 0.35789515 7411 90 90 0 84 22500 3001 1.0213725 0
400 1.0992982 3969 0.00055034756 -1.007316 0.080989146 0.35177983 7443 78 78 0 107 22500 2993 1.0451641 0
500 1.0436705 3969 -7.4779704e-05 -1.0442384 -0.011004581 0.15132448 7504 94 94 0 141 22500 3007 1.0236992 0
600 1.0216461 3969 -0.00032426678 -1.0591487 -0.047719099 0.2200765 7508 111 111 0 179 22500 3007 1.0304838 0
700 1.1491339 3969 0.0012328743 -0.95621278 0.18142978 0.80670059 7448 95 95 0 201 22500 2978 1.0099113 0
800 1.0332166 3969 -0.00040684239 -1.0827554 -0.059870926 0.35939225 7453 113 113 0 235 22500 3024 1.0141565 0
900 1.0652211 3969 -6.1337025e-06 -1.0554715 -0.00090263566 0.51460169 7447 97 97 0 259 22500 2982 1.0192735 0
1000 0.92834993 3969 -0.00067681883 -1.0186671 -0.09960066 0.738738 7328 78 78 0 286 22500 2999 1.023841 0
1100 1.0386338 3969 -0.00018904027 -1.0560666 -0.027819166 0.57129719 7449 96 96 0 325 22500 3012 1.0373885 0
1200 0.92218024 3969 -0.00077989365 -1.0277276 -0.11476915 0.48613467 7507 100 100 0 355 22500 3003 1.0254889 0
1300 1.1835318 3969 0.00096836748 -1.0291915 0.14250496 0.62935386 7439 92 92 0 384 22500 2993 1.0289037 0
1400 1.0895805 3969 0.00022072203 -1.0462033 0.032481455 0.49130771 7492 80 80 0 426 22500 3005 1.0083895 0
1500 1.0713283 3969 0.00042008247 -0.99879571 0.061819337 0.63979877 7498 87 87 0 457 22500 3000 1.0009934 0
1600 0.97815063 3969 -0.0005425653 -1.048213 -0.079843909 0.3604669 7533 105 105 0 492 22500 3004 1.0375508 0
1700 1.1626991 3969 0.00048969594 -1.0790084 0.072063654 0.36261544 7493 87 87 0 519 22500 3014 1.0151507 0
1800 0.91077626 3969 -0.001205934 -1.0791337 -0.17746525 0.14204132 7553 77 77 0 554 22500 3001 1.0393648 0
1900 1.073632 3969 0.00048053229 -0.99218055 0.070715131 0.56468311 7660 96 96 0 579 22500 2990 1.0071005 0
2000 1.0516743 3969 -0.00020689596 -1.0716044 -0.03044681 0.28030578 7561 96 96 0 631 22500 3020 1.0222307 0
2100 1.141885 3969 0.00040167415 -1.0713558 0.059110368 0.32604475 7569 69 69 0 662 22500 2968 1.0125404 0
2200 1.2228391 3969 0.0010327668 -1.0586288 0.15198196 0.36038619 7572 86 86 0 691 22500 2979 1.0235277 0
2300 1.1087892 3969 0.00043721167 -1.0333612 0.06434007 0.39699935 7512 68 68 0 716 22500 3022 1.0515275 0
2400 1.0637949 3969 0.00033715078 -1.0035418 0.049615108 0.47092535 7508 82 82 0 742 22500 2997 1.0295291 0
2500 1.0345185 3969 0.00023374535 -0.98977538 0.034397966 0.57463578 7514 89 89 0 778 22500 2986 1.0252443 0
2600 1.1040438 3969 0.00024293233 -1.0572534 0.035749922 0.38043986 7543 82 82 0 811 22500 2995 1.0181075 0
2700 0.96252159 3969 -0.00081483156 -1.072807 -0.11991061 0.2771083 7555 97 97 0 842 22500 2990 1.0125575 0
2800 0.98730039 3969 -0.00037330307 -1.0323627 -0.05493528 0.57796755 7359 88 88 0 866 22500 2981 1.0187945 0
2900 1.056508 3969 0.0003868833 -0.98900914 0.056933747 0.63280739 7485 84 84 0 906 22500 3009 1.0260952 0
3000 0.97367876 3969 -0.0002599408 -1.0021949 -0.038252888 0.66404419 7424 99 99 0 951 22500 2998 1.0143644 0
3100 0.97186052 3969 -0.00084858744 -1.08702 -0.12487813 0.33835871 7502 88 88 0 983 22500 3016 1.0292976 0
3200 0.97992936 3969 -0.0006672966 -1.0683294 -0.098199368 0.45138198 7326 72 72 0 1026 22500 3005 1.023367 0
3300 0.96722828 3969 -0.00034604616 -1.0084802 -0.050924152 0.58525322 7383 70 70 0 1053 22500 2986 1.034213 0
3400 1.1202892 3969 0.00043227098 -1.0454733 0.063612998 0.43718189 7364 85 85 0 1087 22500 2995 1.0158362 0
3500 0.79750662 3969 -0.0014948003 -1.0095064 -0.21997481 0.41132937 7511 90 90 0 1116 22500 2993 1.0182386 0
3600 1.0491778 3969 -0.00010433247 -1.0540396 -0.015353567 0.42315074 7489 95 95 0 1144 22500 2999 1.020922 0
3700 0.9610381 3969 -0.00021690291 -0.98334715 -0.031919432 0.55752687 7496 80 80 0 1172 22500 3019 1.0303605 0
3800 0.76471906 3969 -0.0017426239 -1.0135164 -0.25644453 0.32180761 7518 89 89 0 1213 22500 3008 1.0419804 0
3900 1.086591 3969 0.00018698809 -1.0482079 0.027517167 0.26073092 7462 98 98 0 1246 22500 3005 1.0261112 0
4000 0.82619819 3969 -0.0014452395 -1.0306176 -0.21268144 0.14915039 7545 98 98 0 1287 22500 3008 1.0352711 0
4100 0.95064219 3969 -0.00053545528 -1.0199334 -0.0787976 0.39089361 7572 85 85 0 1318 22500 3001 1.0372179 0
4200 0.90370321 3969 -0.0007185822 -1.0004127 -0.10574656 0.47384816 7460 61 61 0 1355 22500 2998 1.012362 0
4300 0.97729216 3969 -0.00029144098 -1.0104077 -0.042888455 0.46030155 7533 70 70 0 1388 22500 3007 1.0223284 0
4400 1.0140429 3969 4.720814e-06 -1.0032078 0.00069471498 0.55984871 7501 88 88 0 1412 22500 2995 1.0285533 0
4500 1.0498677 3969 0.00022703142 -1.0059591 0.033409944 0.61932234 7461 82 82 0 1442 22500 2994 1.0292131 0
4600 0.90182406 3969 -0.00092157839 -1.0284253 -0.13561948 0.59198635 7499 73 73 0 1483 22500 3020 1.0159894 0
4700 1.0138009 3969 -0.00028404538 -1.045463 -0.041800118 0.53428422 7407 78 78 0 1507 22500 3011 1.0058816 0
4800 1.0506575 3969 -0.00043345499 -1.1039381 -0.063787236 0.30643257 7543 87 87 0 1524 22500 2995 1.0210242 0
4900 1.1479137 3969 -0.00019383126 -1.1649587 -0.028524208 0.28842185 7416 91 91 0 1557 22500 2988 1.0063463 0
5000 0.9092746 3969 -0.00087214131 -1.0285262 -0.12834432 0.76635862 7389 85 85 0 1589 22500 3000 1.0157079 0
Loop time of 0.858493 on 4 procs for 5000 steps with 14716 atoms
Pair time (%) = 0.0114868 (1.33802)
Neigh time (%) = 0.0539718 (6.28681)
Comm time (%) = 0.0641824 (7.47617)
Outpt time (%) = 0.00263882 (0.307378)
Other time (%) = 0.726213 (84.5916)
Nlocal: 3679 ave 4013 max 3459 min
Histogram: 1 0 1 1 0 0 0 0 0 1
Nghost: 48.25 ave 54 max 44 min
Histogram: 1 0 1 0 0 1 0 0 0 1
Neighs: 117 ave 136 max 87 min
Histogram: 1 0 0 0 0 0 1 1 0 1
Total # of neighbors = 468
Ave neighs/atom = 0.0318021
Neighbor list builds = 250
Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation

152
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LAMMPS (30 Apr 2015)
# 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
comm_modify 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
Neighbor list info ...
0 neighbor list requests
update every 1 steps, delay 1 steps, check no
master list distance cutoff = 0
Memory usage per processor = 5.16355 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 7.45111 on 1 procs for 5000 steps with 21316 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 5.17408 (69.4404)
Comm time (%) = 0.3923 (5.26499)
Outpt time (%) = 0.00365376 (0.0490365)
Other time (%) = 1.88107 (25.2455)
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

152
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LAMMPS (30 Apr 2015)
# 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
comm_modify 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
Neighbor list info ...
0 neighbor list requests
update every 1 steps, delay 1 steps, check no
master list distance cutoff = 0
Memory usage per processor = 2.29814 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 1.80307 on 4 procs for 5000 steps with 21316 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 1.01045 (56.0408)
Comm time (%) = 0.2477 (13.7377)
Outpt time (%) = 0.00233358 (0.129423)
Other time (%) = 0.542582 (30.0921)
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