LAMMPS (27 May 2014)
KOKKOS mode is enabled (../lammps.cpp:468)
  using 6 OpenMP thread(s) per MPI task
# 3d Lennard-Jones melt

variable	x index 1
variable	y index 1
variable	z index 1

variable	xx equal 20*$x
variable	xx equal 20*1
variable	yy equal 20*$y
variable	yy equal 20*1
variable	zz equal 20*$z
variable	zz equal 20*1

units		lj
atom_style	atomic

lattice		fcc 0.8442
Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
region		box block 0 ${xx} 0 ${yy} 0 ${zz}
region		box block 0 20 0 ${yy} 0 ${zz}
region		box block 0 20 0 20 0 ${zz}
region		box block 0 20 0 20 0 20
create_box	1 box
Created orthogonal box = (0 0 0) to (33.5919 33.5919 33.5919)
  1 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 32000 atoms
mass		1 1.0

velocity	all create 1.44 87287 loop geom

pair_style	lj/cut 2.5
pair_coeff	1 1 1.0 1.0 2.5

neighbor	0.3 bin
neigh_modify	delay 0 every 20 check no

fix		1 all nve

run		100
Memory usage per processor = 16.9509 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0         1.44   -6.7733681            0   -4.6134356   -5.0197073 
     100    0.7574531   -5.7585055            0   -4.6223613   0.20726105 
Loop time of 0.57192 on 6 procs (1 MPI x 6 OpenMP) for 100 steps with 32000 atoms

Pair  time (%) = 0.205416 (35.917)
Neigh time (%) = 0.112468 (19.665)
Comm  time (%) = 0.174223 (30.4629)
Outpt time (%) = 0.000159025 (0.0278055)
Other time (%) = 0.0796535 (13.9274)

Nlocal:    32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    19657 ave 19657 max 19657 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.40567e+06 ave 2.40567e+06 max 2.40567e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2405666
Ave neighs/atom = 75.1771
Neighbor list builds = 5
Dangerous builds = 0
