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 2 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 = 8.95027 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 0.689608 on 12 procs (2 MPI x 6 OpenMP) for 100 steps with 32000 atoms

Pair  time (%) = 0.210953 (30.5903)
Neigh time (%) = 0.122991 (17.8349)
Comm  time (%) = 0.25264 (36.6353)
Outpt time (%) = 0.000259042 (0.0375636)
Other time (%) = 0.102765 (14.9019)

Nlocal:    16000 ave 16001 max 15999 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost:    13632.5 ave 13635 max 13630 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs:    0 ave 0 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 0
FullNghs:  1.20283e+06 ave 1.20347e+06 max 1.2022e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 1

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