Homec4science
Diffusion lammps (efficient_neuronet) Browse

lammps/test/table_linear.cpu.log
86b6a0044923efficient_neuronet

Last Change
Raw File

table_linear.cpu.log
View Options

LAMMPS (7 Jan 2012)
using 4 OpenMP thread(s) per MPI task
variable x index 1
variable y index 1
variable z index 1
variable xx equal 10*$x
variable xx equal 10*1
variable yy equal 10*$y
variable yy equal 10*1
variable zz equal 10*$z
variable zz equal 10*1
units lj
atom_style atomic
newton off
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 10 0 ${yy} 0 ${zz}
region box block 0 10 0 10 0 ${zz}
region box block 0 10 0 10 0 10
create_box 2 box
Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
1 by 1 by 3 MPI processor grid
create_atoms 1 box
Created 4000 atoms
mass 1 1.0
mass 2 1.0
set type 1 type/fraction 2 0.5 190343
2038 settings made for type/fraction
velocity all create 1.44 87287 loop geom
pair_style table linear 1000
pair_coeff 1 1 lj126_table.txt LJ_126_1.0
pair_coeff 1 2 lj126_table.txt LJ_126_1.0
pair_coeff 2 2 lj126_table.txt LJ_126_2.0
neighbor 0.3 bin
neigh_modify delay 0 every 20 check no
fix 1 all nve
timestep 0.003
thermo 100
run 400
Memory usage per processor = 8.06259 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1.44 -9.0302557 0 -6.8707957 10.72095
100 0.76199815 -8.459509 0 -7.3167975 13.73806
200 0.76380702 -8.4655586 0 -7.3201345 13.73151
300 0.75759363 -8.4627181 0 -7.3266117 13.760512
400 0.7613863 -8.4619084 0 -7.3201144 13.741687
Loop time of 10.7983 on 12 procs (3 MPI x 4 OpenMP) for 400 steps with 4000 atoms
Pair time (%) = 8.43655 (78.1287)
Neigh time (%) = 1.51989 (14.0753)
Comm time (%) = 0.804545 (7.45069)
Outpt time (%) = 0.0247157 (0.228885)
Other time (%) = 0.0125641 (0.116353)
Nlocal: 1333.33 ave 1400 max 1285 min
Histogram: 1 0 1 0 0 0 0 0 0 1
Nghost: 15538 ave 15849 max 15341 min
Histogram: 1 1 0 0 0 0 0 0 0 1
Neighs: 719111 ave 752349 max 697825 min
Histogram: 1 1 0 0 0 0 0 0 0 1
Total # of neighbors = 2157333
Ave neighs/atom = 539.333
Neighbor list builds = 20
Dangerous builds = 0
c4science · Help