lammps/bench/log.15Jan10.eam.fixed.linux.1

LAMMPS (15 Jan 2010)
# bulk Cu lattice

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		metal
atom_style	atomic

lattice		fcc 3.615
Lattice spacing in x,y,z = 3.615 3.615 3.615
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 (72.3 72.3 72.3)
  1 by 1 by 1 processor grid
create_atoms	1 box
Created 32000 atoms

pair_style	eam
pair_coeff	1 1 Cu_u3.eam

velocity	all create 1600.0 376847 loop geom

neighbor	1.0 bin
neigh_modify    every 1 delay 5 check yes

fix		1 all nve

timestep	0.005
thermo		50

run		100
Memory usage per processor = 13.3815 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0         1600      -113280            0   -106662.09    18703.573 
      50    781.69049   -109873.35            0   -106640.13    52273.088 
     100      801.832    -109957.3            0   -106640.77    51322.821 
Loop time of 11.3292 on 1 procs for 100 steps with 32000 atoms

Pair  time (%) = 10.1802 (89.8578)
Neigh time (%) = 0.86976 (7.67717)
Comm  time (%) = 0.0717678 (0.633477)
Outpt time (%) = 0.00044179 (0.00389957)
Other time (%) = 0.207053 (1.82761)

Nlocal:    32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    19909 ave 19909 max 19909 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    1.20778e+06 ave 1.20778e+06 max 1.20778e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1207784
Ave neighs/atom = 37.7433
Neighbor list builds = 13
Dangerous builds = 0