lammps/bench/log.9Jan12.chain.fixed.linux.1

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LAMMPS (10 Jan 2012)
# FENE beadspring benchmark
units lj
atom_style bond
special_bonds fene
read_data data.chain
1 = max bonds/atom
orthogonal box = (-16.796 -16.796 -16.796) to (16.796 16.796 16.796)
1 by 1 by 1 MPI processor grid
32000 atoms
32000 velocities
31680 bonds
2 = max # of 1-2 neighbors
2 = max # of special neighbors
neighbor 0.4 bin
neigh_modify every 1 delay 1
bond_style fene
bond_coeff 1 30.0 1.5 1.0 1.0
pair_style lj/cut 1.12
pair_modify shift yes
pair_coeff 1 1 1.0 1.0 1.12
fix 1 all nve
fix 2 all langevin 1.0 1.0 10.0 904297
thermo 100
timestep 0.012
run 100
Memory usage per processor = 11.3536 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0.97029772 0.44484087 20.494523 22.394765 4.6721833
100 0.9729966 0.4361122 20.507698 22.40326 4.6548819
Loop time of 1.00598 on 1 procs for 100 steps with 32000 atoms
Pair time (%) = 0.200669 (19.9477)
Bond time (%) = 0.116349 (11.5657)
Neigh time (%) = 0.434148 (43.1567)
Comm time (%) = 0.0310009 (3.08166)
Outpt time (%) = 9.799e-05 (0.00974076)
Other time (%) = 0.223714 (22.2385)
Nlocal: 32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 9493 ave 9493 max 9493 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 155873 ave 155873 max 155873 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 155873
Ave neighs/atom = 4.87103
Ave special neighs/atom = 1.98
Neighbor list builds = 25
Dangerous builds = 0