LAMMPS (24 Oct 2018)
dimension       3
units           micro
atom_style      meso

variable        a equal 0.1             # lattice spacing         micrometers
variable        L equal $a*10
variable        L equal 0.1*10
variable        T equal 300.
variable        kB equal 1.3806504e-8   # picogram-micrometer^2/(microsecond^2-Kelvin)
variable        rho_0 equal 1.          # density                   picograms/micrometer^3
variable        c_0 equal 10.           # speed of sound            micrometers/microsecond
variable        mu equal 1.             # dynamic viscosity         picogram/(micrometer-microsecond)
variable        h equal $a*4.0          # kernel function cutoff    micrometers
variable        h equal 0.1*4.0          
variable        mass equal $a*$a*$a*${rho_0}
variable        mass equal 0.1*$a*$a*${rho_0}
variable        mass equal 0.1*0.1*$a*${rho_0}
variable        mass equal 0.1*0.1*0.1*${rho_0}
variable        mass equal 0.1*0.1*0.1*1
variable        dt equal 5e-4           # timestep                  microseconds
variable        skin equal 0.1*$h
variable        skin equal 0.1*0.4

region          box block -$L $L -$L $L -$L $L units box
region          box block -1 $L -$L $L -$L $L units box
region          box block -1 1 -$L $L -$L $L units box
region          box block -1 1 -1 $L -$L $L units box
region          box block -1 1 -1 1 -$L $L units box
region          box block -1 1 -1 1 -1 $L units box
region          box block -1 1 -1 1 -1 1 units box
create_box      1 box
Created orthogonal box = (-1 -1 -1) to (1 1 1)
  1 by 2 by 2 MPI processor grid
lattice         sc $a
lattice         sc 0.1
Lattice spacing in x,y,z = 0.1 0.1 0.1

create_atoms    1 box
Created 8000 atoms
  Time spent = 0.00252754 secs

mass            * ${mass}
mass            * 0.001
set             group all meso/rho ${rho_0}
set             group all meso/rho 1
  8000 settings made for meso/rho

pair_style      sdpd/taitwater/isothermal $T ${mu} 76787    # temperature viscosity random_seed
pair_style      sdpd/taitwater/isothermal 300 ${mu} 76787    
pair_style      sdpd/taitwater/isothermal 300 1 76787    
pair_coeff      * * ${rho_0} ${c_0} ${h}
pair_coeff      * * 1 ${c_0} ${h}
pair_coeff      * * 1 10 ${h}
pair_coeff      * * 1 10 0.4

variable        vx_sq atom vx*vx
variable        vy_sq atom vy*vy
variable        vz_sq atom vz*vz
compute         v_sq all reduce ave v_vx_sq v_vy_sq v_vz_sq
variable        vx_sq_check equal c_v_sq[1]*${mass}/${kB}/$T
variable        vx_sq_check equal c_v_sq[1]*0.001/${kB}/$T
variable        vx_sq_check equal c_v_sq[1]*0.001/1.3806504e-08/$T
variable        vx_sq_check equal c_v_sq[1]*0.001/1.3806504e-08/300
variable        vy_sq_check equal c_v_sq[2]*${mass}/${kB}/$T
variable        vy_sq_check equal c_v_sq[2]*0.001/${kB}/$T
variable        vy_sq_check equal c_v_sq[2]*0.001/1.3806504e-08/$T
variable        vy_sq_check equal c_v_sq[2]*0.001/1.3806504e-08/300
variable        vz_sq_check equal c_v_sq[3]*${mass}/${kB}/$T
variable        vz_sq_check equal c_v_sq[3]*0.001/${kB}/$T
variable        vz_sq_check equal c_v_sq[3]*0.001/1.3806504e-08/$T
variable        vz_sq_check equal c_v_sq[3]*0.001/1.3806504e-08/300

fix             1 all meso

neighbor        ${skin} bin
neighbor        0.04 bin
timestep        ${dt}
timestep        0.0005

thermo          10
thermo_style    custom step time v_vx_sq_check v_vy_sq_check v_vz_sq_check

run             200
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 0.44
  ghost atom cutoff = 0.44
  binsize = 0.22, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair sdpd/taitwater/isothermal, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.795 | 5.795 | 5.795 Mbytes
Step Time v_vx_sq_check v_vy_sq_check v_vz_sq_check 
       0            0            0            0            0 
      10        0.005   0.71224819   0.71470372    0.7008956 
      20         0.01   0.90627589   0.90683966   0.90116506 
      30        0.015     0.938505   0.95884272   0.93337542 
      40         0.02   0.94394649   0.93668038   0.96468004 
      50        0.025   0.97152309   0.97546161   0.95107762 
      60         0.03   0.94710871   0.95678322   0.97285504 
      70        0.035   0.96253148   0.95838642   0.95450883 
      80         0.04   0.97581495   0.95278681   0.95099478 
      90        0.045   0.96251614    0.9740684   0.96081505 
     100         0.05   0.94191275   0.97137523   0.94084858 
     110        0.055     0.953406   0.95739684   0.98574522 
     120         0.06   0.99001614   0.99608287    0.9839996 
     130        0.065   0.96575225   0.94309655   0.92847798 
     140         0.07   0.97642687   0.97458638   0.94696406 
     150        0.075   0.99316381   0.96876814   0.95440106 
     160         0.08   0.94589744   0.95264791   0.95495169 
     170        0.085   0.97599092   0.95336014   0.97687718 
     180         0.09   0.97214242    0.9726305    0.9726035 
     190        0.095   0.97577583   0.96523645    0.9756968 
     200          0.1   0.96386053   0.97268854   0.94582436 
Loop time of 32.5247 on 4 procs for 200 steps with 8000 atoms

Performance: 265644.515 ns/day, 0.000 hours/ns, 6.149 timesteps/s
73.9% CPU use with 4 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 27.385     | 28.409     | 28.761     |  11.1 | 87.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 3.582      | 3.9343     | 4.9531     |  29.7 | 12.10
Output  | 0.022267   | 0.026073   | 0.033141   |   2.7 |  0.08
Modify  | 0.031714   | 0.033134   | 0.034367   |   0.6 |  0.10
Other   |            | 0.1226     |            |       |  0.38

Nlocal:    2000 ave 2000 max 2000 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:    8469 ave 8469 max 8469 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:    364000 ave 376628 max 351184 min
Histogram: 1 0 1 0 0 0 0 1 0 1

Total # of neighbors = 1456000
Ave neighs/atom = 182
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:32
