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lammps/examples/srd/log.15Feb16.srd.pure.g++.4
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LAMMPS (15 Feb 2016)
# 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
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 0
ghost atom cutoff = 0
binsize = 15.8114 -> bins = 1 1 1
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 1.79922 on 4 procs for 5000 steps with 21316 atoms
Performance: 4802076.856 tau/day, 2778.980 timesteps/s
99.6% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0 | 0 | 0 | 0.0 | 0.00
Neigh | 0.0014281 | 0.0015157 | 0.001564 | 0.1 | 0.08
Comm | 0.23789 | 0.24253 | 0.25126 | 1.1 | 13.48
Output | 0.0022333 | 0.0023788 | 0.0027263 | 0.4 | 0.13
Modify | 1.37 | 1.3762 | 1.3788 | 0.3 | 76.49
Other | | 0.1766 | | | 9.82
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 not checked
Please see the log.cite file for references relevant to this simulation
Total wall time: 0:00:01
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