lammps/examples/obstacle/log.27Nov18.obstacle.g++.4

LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# 2d LJ obstacle flow

dimension	2
boundary	p s p

atom_style	atomic
neighbor	0.3 bin
neigh_modify	delay 5

# create geometry

lattice		hex 0.7
Lattice spacing in x,y,z = 1.28436 2.22457 1.28436
region		box block 0 40 0 10 -0.25 0.25
create_box	3 box
Created orthogonal box = (0 0 -0.321089) to (51.3743 22.2457 0.321089)
  4 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 840 atoms
  Time spent = 0.000343561 secs

mass		1 1.0
mass		2 1.0
mass		3 1.0

# LJ potentials

pair_style	lj/cut 1.12246
pair_coeff	* * 1.0 1.0 1.12246

# define groups

region	        1 block INF INF INF 1.25 INF INF
group		lower region 1
120 atoms in group lower
region		2 block INF INF 8.75 INF INF INF
group		upper region 2
120 atoms in group upper
group		boundary union lower upper
240 atoms in group boundary
group		flow subtract all boundary
600 atoms in group flow

set		group lower type 2
  120 settings made for type
set		group upper type 3
  120 settings made for type

# initial velocities

compute	        mobile flow temp
velocity	flow create 1.0 482748 temp mobile
fix		1 all nve
fix		2 flow temp/rescale 200 1.0 1.0 0.02 1.0
fix_modify	2 temp mobile

# Poiselle flow

velocity	boundary set 0.0 0.0 0.0
fix		3 lower setforce 0.0 0.0 0.0
fix		4 upper setforce 0.0 NULL 0.0
fix		5 upper aveforce 0.0 -0.5 0.0
fix		6 flow addforce 1.0 0.0 0.0

# 2 obstacles

region		void1 sphere 10 4 0 3
delete_atoms	region void1
Deleted 36 atoms, new total = 804
region		void2 sphere 20 7 0 3
delete_atoms	region void2
Deleted 35 atoms, new total = 769

fix		7 flow indent 100 sphere 10 4 0 4
fix		8 flow indent 100 sphere 20 7 0 4
fix		9 all enforce2d

# Run

timestep	0.003
thermo		1000
thermo_modify	temp mobile
WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)

#dump		1 all atom 100 dump.obstacle

#dump		2 all image 500 image.*.jpg type type #		zoom 1.6 adiam 1.5
#dump_modify	2 pad 5

#dump		3 all movie 500 movie.mpg type type #		zoom 1.6 adiam 1.5
#dump_modify	3 pad 5

run		25000
Neighbor list info ...
  update every 1 steps, delay 5 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 1.42246
  ghost atom cutoff = 1.42246
  binsize = 0.71123, bins = 73 32 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/2d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.043 | 3.043 | 3.043 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
       0    1.0004177            0            0   0.68689281   0.46210058    1143.0857 
    1000            1  -0.32494012            0   0.36166587    1.2240503    1282.5239 
    2000            1  -0.37815616            0   0.30844982    1.0642877    1312.5691 
    3000            1  -0.49062369            0   0.19598229    1.5239334    1322.2627 
    4000            1  -0.50088987            0   0.18571611    1.4614192    1367.6511 
    5000            1  -0.47747975            0   0.20912623    1.3417367     1405.501 
    6000            1  -0.47477948            0   0.21182651    1.3061542    1432.0778 
    7000            1  -0.44736042            0   0.23924556    1.1332701    1441.4911 
    8000            1  -0.42748547            0   0.25912051    1.0531138    1443.7226 
    9000            1  -0.41433123            0   0.27227475    1.0997172    1450.1414 
   10000            1  -0.38722477            0   0.29938121    1.0652717    1456.2877 
   11000            1  -0.40216239            0   0.28444359    1.1152975    1459.2764 
   12000            1  -0.38520467            0   0.30140132   0.94109687    1463.6094 
   13000            1  -0.38233942            0   0.30426656    1.0184283    1461.2151 
   14000            1  -0.38106329            0    0.3055427   0.93372261     1459.276 
   15000            1  -0.36896962            0   0.31763636    1.0015053    1456.4295 
   16000            1  -0.38669413            0   0.29991185   0.99320514    1460.5925 
   17000            1   -0.3879857            0   0.29862028   0.95908906    1461.1978 
   18000            1  -0.37448688            0    0.3121191   0.96871256    1460.7159 
   19000            1  -0.39700052            0   0.28960547    1.0770396    1458.2596 
   20000            1  -0.36125976            0   0.32534622   0.86282353    1466.9129 
   21000            1  -0.38882675            0   0.29777923    0.9877477    1457.4909 
   22000            1  -0.38158333            0   0.30502266    1.0184682    1454.5247 
   23000            1  -0.37327871            0   0.31332728    1.0623185    1453.1342 
   24000            1  -0.40040333            0   0.28620265   0.94983886    1459.4461 
   25000            1  -0.37645924            0   0.31014674    1.0526044    1458.7191 
Loop time of 0.950647 on 4 procs for 25000 steps with 769 atoms

Performance: 6816413.742 tau/day, 26297.893 timesteps/s
95.6% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.068658   | 0.11988    | 0.18819    |  13.5 | 12.61
Neigh   | 0.034307   | 0.046836   | 0.063159   |   5.0 |  4.93
Comm    | 0.1325     | 0.21714    | 0.27078    |  11.3 | 22.84
Output  | 0.00052547 | 0.00096804 | 0.0022867  |   0.0 |  0.10
Modify  | 0.37752    | 0.41834    | 0.48768    |   6.5 | 44.01
Other   |            | 0.1475     |            |       | 15.51

Nlocal:    192.25 ave 243 max 151 min
Histogram: 1 1 0 0 0 0 1 0 0 1
Nghost:    41.75 ave 43 max 39 min
Histogram: 1 0 0 0 0 0 0 1 0 2
Neighs:    408.5 ave 575 max 266 min
Histogram: 1 1 0 0 0 0 0 1 0 1

Total # of neighbors = 1634
Ave neighs/atom = 2.12484
Neighbor list builds = 1631
Dangerous builds = 1
Total wall time: 0:00:00