LAMMPS (30 Aug 2013)
units           lj
lattice		sc 1.0
Lattice spacing in x,y,z = 1 1 1
boundary        p p p
neighbor        1.0 bin
neigh_modify    every 5 delay 0 check yes

atom_style      full
bond_style      harmonic
#angle_style	harmonic
pair_style      lj/cut 2.5
pair_modify     table 0
special_bonds   lj 0.0 1.0 1.0

read_data    	quartic_bonds.init
Scanning data file ...
  6 = max bonds/atom
Reading data file ...
  orthogonal box = (-6.54473 -6.54473 -6.54473) to (6.54473 6.54473 6.54473)
  1 by 2 by 2 MPI processor grid
  2100 atoms
  2600 bonds
Finding 1-2 1-3 1-4 neighbors ...
  6 = max # of 1-2 neighbors
  6 = max # of 1-3 neighbors
  16 = max # of 1-4 neighbors
  18 = max # of special neighbors

special_bonds   lj 0.0 1.0 1.0

bond_coeff      1 100.0 1.0

pair_coeff	* * 1.0 1.0  2.5

timestep        0.005

fix             NPT all npt temp 1.0 1.0  1.0  iso 0.1 0.1 10.0

thermo_style    custom step temp etotal evdwl ebond pxx pyy pzz lz
thermo_modify   flush yes
thermo          100

########################################################################
variable        l equal xhi
region          MESH  block -$l $l -$l $l -$l $l
region          MESH  block -6.5447300000000003806 $l -$l $l -$l $l
region          MESH  block -6.5447300000000003806 6.5447300000000003806 -$l $l -$l $l
region          MESH  block -6.5447300000000003806 6.5447300000000003806 -6.5447300000000003806 $l -$l $l
region          MESH  block -6.5447300000000003806 6.5447300000000003806 -6.5447300000000003806 6.5447300000000003806 -$l $l
region          MESH  block -6.5447300000000003806 6.5447300000000003806 -6.5447300000000003806 6.5447300000000003806 -6.5447300000000003806 $l
region          MESH  block -6.5447300000000003806 6.5447300000000003806 -6.5447300000000003806 6.5447300000000003806 -6.5447300000000003806 6.5447300000000003806
group           MESH  region MESH
2100 atoms in group MESH
#               ID  group atc PhysicsType ParameterFile
fix             ATC MESH  atc field
ATC: constructing shape function field estimate
 ATC: version 2.0
 ATC: peratom PE compute created with ID: 5
fix_modify      ATC atom_element_map eulerian 100
fix_modify      ATC fields add mass_density energy stress
##               ID  part keywords    nx ny nz region
fix_modify      ATC mesh  create 4 4 1 MESH p p p
 ATC: created uniform mesh with 50 nodes, 16 unique nodes, and 16 elements
fix_modify      ATC bond_interactions on
fix_modify      ATC pair_interactions on
fix_modify      ATC output nodeset all average energy
fix_modify      ATC output nodeset all average stress
fix_modify      ATC output quartic_bondsFE 100 full_text binary tensor_components
 ATC: Warning : text output can create _LARGE_ files
 ATC: output custom names:

#########################################################################

reset_timestep	0

dump            d1 all custom 10000 config.dmp id type mol x y z ix iy iz

run             400
Setting up run ...
WARNING: Inconsistent image flags (../domain.cpp:607)
 ATC: computing bond matrix ..........done
Memory usage per processor = 24.4426 Mbytes
Step Temp TotEng E_vdwl E_bond Pxx Pyy Pzz Lz 
       0            0   -4.2793581   -4.9222297   0.64287162    -0.122936  -0.43455241  -0.37510432     13.08946 
 ATC: computing bond matrix ..........done
     100   0.51761758   -4.2411444   -5.3350909   0.31788979   -1.8360748   -1.7957803   -1.6501347    13.061394 
 ATC: computing bond matrix ..........done
     200   0.55719016    -4.194575   -5.3921735   0.36221126  -0.83902447   -1.0583266  -0.82924205    12.978287 
 ATC: computing bond matrix ..........done
     300   0.60702877    -4.114999   -5.4634339   0.43832539  -0.05969492  -0.37357729    0.1227012    12.887908 
 ATC: computing bond matrix ..........done
     400   0.67773634   -4.0068285   -5.5021915   0.47924261    0.5562405   0.24275905    0.4181606    12.828709 
Loop time of 19.4332 on 4 procs for 400 steps with 2100 atoms

Pair  time (%) = 0.450128 (2.31628)
Bond  time (%) = 0.01934 (0.0995206)
Neigh time (%) = 0.101799 (0.523842)
Comm  time (%) = 0.129651 (0.667162)
Outpt time (%) = 0.00420249 (0.0216253)
Other time (%) = 18.7281 (96.3716)

Nlocal:    525 ave 528 max 522 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:    3037 ave 3052 max 3022 min
Histogram: 1 1 0 0 0 0 0 0 0 2
Neighs:    45578.5 ave 45912 max 45191 min
Histogram: 1 0 0 1 0 0 0 0 1 1
FullNghs:  91157 ave 91645 max 90702 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 364628
Ave neighs/atom = 173.632
Ave special neighs/atom = 13.3324
Neighbor list builds = 9
Dangerous builds = 0
