LAMMPS (30 Aug 2013)
dimension 3
boundary  p p p
lattice 	fcc  5.376 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
Lattice spacing in x,y,z = 5.376 5.376 5.376
region  	box block 0 5 0 5 0 5
read_data	nvt.init
Reading data file ...
  orthogonal box = (0 0 0) to (26.88 26.88 26.88)
  1 by 2 by 2 MPI processor grid
  500 atoms
  500 velocities
pair_style  lj/cut 13.0
pair_coeff	1 1 0.2381 3.405
group		internal region box
500 atoms in group internal

fix         ATC internal atc field
ATC: constructing shape function field estimate
 ATC: version 2.0
 ATC: peratom PE compute created with ID: 3
fix_modify  ATC mesh create 1 1 1 box p p p
 ATC: created uniform mesh with 8 nodes, 1 unique nodes, and 1 elements
fix_modify  ATC atom_element_map eulerian 100
fix_modify  ATC fields none
fix_modify  ATC fields add mass_density energy stress temperature kinetic_temperature
fix_modify  ATC fields add velocity thermal_energy kinetic_energy
fix_modify  ATC output nvtFE 100 text
 ATC: Warning : text output can create _LARGE_ files
 ATC: output custom names:

fix         PP  internal atc field
ATC: constructing shape function field estimate
 ATC: version 2.0
 ATC: peratom PE compute created with ID: 3
fix_modify  PP  filter type step # defaults to running
fix_modify  PP  filter on
fix_modify  PP  mesh create 1 1 1 box p p p
 ATC: created uniform mesh with 8 nodes, 1 unique nodes, and 1 elements
fix_modify  PP  atom_element_map eulerian 100
fix_modify  PP  fields add mass_density energy stress temperature kinetic_temperature
fix_modify  PP  fields add velocity thermal_energy kinetic_energy
fix_modify  PP  output nvtPP 100 text
 ATC: Warning : text output can create _LARGE_ files
 ATC: output custom names:

thermo		100
compute_modify	thermo_temp extra 0
thermo_style 	custom step temp etotal ke pe press vol
timestep 	4.0
reset_timestep	0
# NOTE fixes performing time integration (init_integrate/final_integrate) should be defined after atc
fix 		NVT all nvt temp 30 30 10.0 drag 0.2 tchain 1
log		nvt.log
run 		1000
Setting up run ...
 ATC: computing bond matrix ...........done
 ATC: computing bond matrix ...........done
Memory usage per processor = 40.9608 Mbytes
Step Temp TotEng KinEng PotEng Press Volume 
       0    31.104176   -898.55796     46.35782   -944.91578   -584.20571    19421.725 
     100    29.954062   -903.43223    44.643685   -948.07591   -646.45662    19421.725 
     200    29.952147   -900.39726    44.640831   -945.03809   -583.44492    19421.725 
     300     29.91148   -902.38105     44.58022   -946.96127    -626.6874    19421.725 
     400    29.936718   -900.07678    44.617835   -944.69461   -580.74144    19421.725 
     500    29.952289   -899.58418    44.641042   -944.22522    -570.0108    19421.725 
     600    29.980195   -901.64307    44.682633    -946.3257   -614.13849    19421.725 
     700     29.88447   -901.31686    44.539965   -945.85683   -604.74508    19421.725 
     800    29.876839   -900.32866    44.528592   -944.85725   -587.67852    19421.725 
     900    29.966977   -899.86769    44.662933   -944.53062   -581.80498    19421.725 
    1000    29.907621   -901.57887    44.574469   -946.15334   -613.00908    19421.725 
Loop time of 1.44902 on 4 procs for 1000 steps with 500 atoms

Pair  time (%) = 0.747129 (51.5609)
Neigh time (%) = 0 (0)
Comm  time (%) = 0.295985 (20.4265)
Outpt time (%) = 0.00255066 (0.176027)
Other time (%) = 0.403357 (27.8365)

Nlocal:    125 ave 129 max 121 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Nghost:    2563 ave 2567 max 2559 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Neighs:    22787.2 ave 23476 max 22083 min
Histogram: 1 0 0 0 0 2 0 0 0 1
FullNghs:  45574.5 ave 47047 max 44066 min
Histogram: 1 0 0 0 0 2 0 0 0 1

Total # of neighbors = 182298
Ave neighs/atom = 364.596
Neighbor list builds = 0
Dangerous builds = 0
