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lammps/bench/log.7Jul09.eam.scaled.linux.4
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LAMMPS (7 Jul 2009)
# bulk Cu lattice
variable x index 1
variable y index 1
variable z index 1
variable xx equal 20*$x
variable xx equal 20*2
variable yy equal 20*$y
variable yy equal 20*2
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 40 0 ${yy} 0 ${zz}
region box block 0 40 0 40 0 ${zz}
region box block 0 40 0 40 0 20
create_box 1 box
Created orthogonal box = (0 0 0) to (144.6 144.6 72.3)
2 by 2 by 1 processor grid
create_atoms 1 box
Created 128000 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 = 13.2978 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -453120 0 -426647.73 18704.012
50 779.50001 -439457.02 0 -426560.06 52355.276
100 797.97828 -439764.76 0 -426562.07 51474.74
Loop time of 12.4247 on 4 procs for 100 steps with 128000 atoms
Pair time (%) = 10.5913 (85.2435)
Neigh time (%) = 0.973452 (7.83479)
Comm time (%) = 0.387031 (3.11501)
Outpt time (%) = 0.00141603 (0.0113968)
Other time (%) = 0.471551 (3.79526)
Nlocal: 32000 ave 32092 max 31914 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Nghost: 19910 ave 19997 max 19818 min
Histogram: 1 0 0 0 1 0 1 0 0 1
Neighs: 1.20728e+06 ave 1.21142e+06 max 1.2036e+06 min
Histogram: 1 0 0 1 1 0 0 0 0 1
Total # of neighbors = 4829126
Ave neighs/atom = 37.7275
Neighbor list builds = 14
Dangerous builds = 0
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