LAMMPS (30 Aug 2013)
units    real
atom_style  atomic

# correct mass density = 1.0120
# NOTE the mesh is not currently periodic, so the density estimate is off by a factor of 2

variable L equal 6
variable w equal 2

lattice         fcc 5.405 origin 0.25 0.25 0.25
Lattice spacing in x,y,z = 5.405 5.405 5.405
region     BOX   block -$L $L -$L $L -$w $w
region     BOX   block -6 $L -$L $L -$w $w
region     BOX   block -6 6 -$L $L -$w $w
region     BOX   block -6 6 -6 $L -$w $w
region     BOX   block -6 6 -6 6 -$w $w
region     BOX   block -6 6 -6 6 -2 $w
region     BOX   block -6 6 -6 6 -2 2

boundary  f f p
create_box  1 BOX
Created orthogonal box = (-32.43 -32.43 -10.81) to (32.43 32.43 10.81)
  2 by 2 by 1 MPI processor grid
create_atoms  1 region BOX
Created 2304 atoms
mass    1 39.95
pair_style  lj/cut 13.5
pair_coeff    1 1 .238 3.405 13.5
group    internal region BOX
2304 atoms in group internal

fix            AtC internal atc hardy
ATC: constructing kernel field estimate
 ATC: version 2.0
 ATC: peratom PE compute created with ID: 3
fix_modify     AtC kernel quartic_cylinder 5.0
fix_modify     AtC mesh read gaussianIC2d_hex.mesh
 ATC: read 388 nodes
 ATC: read 173 HEX8 elements
 ATC: created nodeset 11 with 22 nodes
 ATC: created nodeset 12 with 22 nodes
 ATC: WARNING: mesh is not aligned with the coordinate directions atom-to-element mapping will be expensive
fix_modify     AtC fields add mass_density
fix_modify     AtC output kernel2d_hexFE 1 full_text binary
 ATC: Warning : text output can create _LARGE_ files
 ATC: output custom names:

#dump  CONFIG all custom 1 kernel2d_hexMD.dmp id type x y z

thermo_style custom step cpu temp
timestep  0.0
thermo    1
run     2
Setting up run ...
Memory usage per processor = 490.313 Mbytes
Step CPU Temp 
       0            0            0 
       1 0.0051858425            0 
       2  0.013777971            0 
Loop time of 0.0137943 on 4 procs for 2 steps with 2304 atoms

Pair  time (%) = 0.00913006 (66.1872)
Neigh time (%) = 0 (0)
Comm  time (%) = 0.00068748 (4.9838)
Outpt time (%) = 0.00271451 (19.6785)
Other time (%) = 0.00126225 (9.1505)

Nlocal:    576 ave 576 max 576 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:    2664 ave 2664 max 2664 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:    91072 ave 92484 max 89660 min
Histogram: 1 1 0 0 0 0 0 0 1 1
FullNghs:  182144 ave 182144 max 182144 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 728576
Ave neighs/atom = 316.222
Neighbor list builds = 0
Dangerous builds = 0