LAMMPS (4 May 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task

units real
lattice         sc 5.0
Lattice spacing in x,y,z = 5 5 5
region          box block -110 60 -30 220 -90 130  units box
create_box      2 box
Created orthogonal box = (-110 -30 -90) to (60 220 130)
  1 by 2 by 2 MPI processor grid
region          particles cylinder y 0 -30 47 130 190 units box
create_atoms    1 region particles
Created 3601 atoms
  using lattice units in orthogonal box = (-110 -30 -90) to (60 220 130)
  create_atoms CPU = 0.001 seconds
region          lid cylinder y 0 -30 47 190 200 units box
group           mobile type 1
3601 atoms in group mobile

create_atoms    2 mesh race_track.stl units box
Reading STL object Georgs Murmelbahn from file race_track.stl
  read 9472 triangles with 1.00 atoms per triangle added in recursive bisection mode
Created 9472 atoms
  using box units in orthogonal box = (-110 -30 -90) to (60 220 130)
  create_atoms CPU = 0.036 seconds
group           mesh type 2
9472 atoms in group mesh

mass * 39.95
pair_style lj/cut 8.76
pair_coeff      1 1 0.2339 3.504
pair_coeff      1 2 0.2339 7.008 $(7.008*2^(1.0/6.0))
pair_coeff      1 2 0.2339 7.008 7.8662140345520858986
pair_coeff      2 2 0.0    1.0

balance 1.1 shift xyz 10 1.01
Balancing ...
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 10.76
  ghost atom cutoff = 10.76
  binsize = 5.38, bins = 32 47 41
  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/3d
      bin: standard
 rebalancing time: 0.001 seconds
  iteration count = 17
  initial/final maximal load/proc = 6175 4316
  initial/final imbalance factor  = 1.8893903 1.3205844
  x cuts: 0 1
  y cuts: 0 0.5859375 1
  z cuts: 0 0.36376953 1

neigh_modify exclude type 2 2
timestep 1.0

fix track mesh setforce 0.0 0.0 0.0
fix pull mobile addforce 0.0 -0.05 0.0 region particles
fix dir  mobile oneway 10 lid -y
fix move mobile nve
fix load all balance 1000 1.1 shift xyz 10 1.01 weight neigh 0.5 weight group 2 mesh 0.1 mobile 1.0

minimize 0.0 0.0 1000 1000
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (src/min.cpp:187)
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Per MPI rank memory allocation (min/avg/max) = 4.506 | 4.54 | 4.57 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
         0   0              737062.81      0              737062.81      21986.781      9350000      
        67   0             -2063.91        0             -2063.91       -5.0227698      9350000      
Loop time of 0.373091 on 4 procs for 67 steps with 13073 atoms

98.7% CPU use with 4 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = linesearch alpha is zero
  Energy initial, next-to-last, final = 
      737062.806250145  -2063.90998808134  -2063.90998808134
  Force two-norm initial, final = 689296.27 22.226599
  Force max component initial, final = 336546.89 0.90593277
  Final line search alpha, max atom move = 1.2850327e-11 1.1641532e-11
  Iterations, force evaluations = 67 393

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.0023911  | 0.098676   | 0.3067     |  39.6 | 26.45
Neigh   | 0.0054604  | 0.0097001  | 0.017713   |   4.9 |  2.60
Comm    | 0.0072159  | 0.22319    | 0.32344    |  27.2 | 59.82
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0.003044   | 0.0084861  | 0.018696   |   6.5 |  2.27
Other   |            | 0.03304    |            |       |  8.86

Nlocal:        3268.25 ave        4314 max        2222 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:        1010.75 ave        1101 max         792 min
Histogram: 1 0 0 0 0 0 0 0 1 2
Neighs:        16694.5 ave       52643 max           0 min
Histogram: 2 0 1 0 0 0 0 0 0 1

Total # of neighbors = 66778
Ave neighs/atom = 5.1080854
Neighbor list builds = 5
Dangerous builds = 0

reset_timestep 0 time 0.0

velocity mobile create 150.0 54634234
compute ptemp mobile temp
thermo_modify temp ptemp
WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:520)

thermo 1000

# dump 1 all atom 1000 race.lammpstrj
run 10000
Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Per MPI rank memory allocation (min/avg/max) = 3.481 | 3.598 | 3.711 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press          Volume    
         0   150           -2063.91        0             -454.27256      2.8467694      9350000      
      1000   197.01825     -1960.8576      0              153.32871      13.788868      9350000      
      2000   216.32291     -2037.8959      0              283.44712      13.915645      9350000      
      3000   239.06547     -2059.8437      0              505.54782      14.550975      9350000      
      4000   266.60476     -2076.3375      0              784.57583      17.457495      9350000      
      5000   299.6816      -2109.6562      0              1106.202       19.375766      9350000      
      6000   335.17037     -2129.5487      0              1467.1364      24.636144      9350000      
      7000   367.9265      -2101.7855      0              1846.4029      33.591291      9350000      
      8000   404.7304      -2144.8541      0              2198.2739      43.134332      9350000      
      9000   435.7537      -2180.3187      0              2495.7178      53.466393      9350000      
     10000   457.96586     -2194.6411      0              2719.7522      64.522003      9350000      
Loop time of 4.60636 on 4 procs for 10000 steps with 13073 atoms

Performance: 187.567 ns/day, 0.128 hours/ns, 2170.909 timesteps/s
99.2% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.0632     | 2.4782     | 2.963      |  25.3 | 53.80
Neigh   | 0.18255    | 0.30042    | 0.52984    |  25.5 |  6.52
Comm    | 0.40668    | 1.1595     | 1.7224     |  51.6 | 25.17
Output  | 0.00032705 | 0.00053493 | 0.00067573 |   0.0 |  0.01
Modify  | 0.22563    | 0.32471    | 0.53003    |  21.1 |  7.05
Other   |            | 0.3429     |            |       |  7.44

Nlocal:        3268.25 ave        6890 max        1643 min
Histogram: 1 2 0 0 0 0 0 0 0 1
Nghost:           1701 ave        2074 max        1456 min
Histogram: 2 0 0 0 0 1 0 0 0 1
Neighs:        28177.5 ave       34170 max       21435 min
Histogram: 1 1 0 0 0 0 0 0 0 2

Total # of neighbors = 112710
Ave neighs/atom = 8.6215865
Neighbor list builds = 129
Dangerous builds = 0

Total wall time: 0:00:05
