Homec4science
Diffusion lammps (lammm-master-deprecated) Browse

lammps/examples/meam/log.meam.22Jun07.liberty.4
f95ccaf03551lammm-master-deprecated

Last Change
Raw File

log.meam.22Jun07.liberty.4
View Options

LAMMPS (22 June 2007)
# Test of MEAM potential for SiC system
units metal
boundary p p p
atom_style atomic
read_data data.meam
orthogonal box = (-6 -6 -6) to (5.97232 5.97232 5.97232)
1 by 2 by 2 processor grid
128 atoms
pair_style meam
pair_coeff * * library.meam Si C SiC.meam Si C
neighbor 0.3 bin
neigh_modify delay 10
fix 1 all nve
thermo 10
timestep 0.001
dump 1 all atom 10 dump.meam
run 100
Memory usage per processor = 4.55272 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0 -636.93784 0 -636.93784 -76401.859
10 1777.5718 -666.27518 0 -637.0945 -150596.32
20 1908.6646 -668.42203 0 -637.08932 -120846.06
30 1937.3373 -668.90047 0 -637.09706 -101367.81
40 2110.906 -671.75978 0 -637.10706 -110475.14
50 2057.8682 -670.89589 0 -637.11385 -107817.44
60 1887.9614 -668.08977 0 -637.09693 -108906.46
70 2036.4427 -670.53667 0 -637.10635 -113836.91
80 2111.2748 -671.75001 0 -637.09124 -100964.78
90 2087.3167 -671.34241 0 -637.07694 -95316.087
100 1990.2171 -669.74712 0 -637.07564 -97755.737
Loop time of 0.18309 on 4 procs for 100 steps with 128 atoms
Pair time (%) = 0.155092 (84.7084)
Neigh time (%) = 0.00145948 (0.797139)
Comm time (%) = 0.0187557 (10.244)
Outpt time (%) = 0.00630403 (3.44313)
Other time (%) = 0.00147808 (0.807296)
Nlocal: 32 ave 35 max 29 min
Histogram: 1 0 0 1 0 0 1 0 0 1
Nghost: 292.25 ave 307 max 279 min
Histogram: 1 0 1 0 0 0 1 0 0 1
Neighs: 384.25 ave 432 max 327 min
Histogram: 1 0 0 0 1 0 0 1 0 1
FullNghs: 768.5 ave 859 max 657 min
Histogram: 1 0 0 1 0 0 0 0 1 1
Total # of neighbors = 3074
Ave neighs/atom = 24.0156
Neighbor list builds = 10
Dangerous builds = 10
c4science · Help