W.log.lammps

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This is the main output file from LAMMPS. It will information about contain minimization/molecular dynamics steps, physical properties of the system, error codes etc. You can customize what properties to output through LAMMPS commands

LAMMPS (30 Mar 2010)
# Test of MEAM potential for Tungsten system

units           metal
boundary        p p p

atom_style      atomic

read_data       W.pos

pair_style      meam
pair_coeff      * * W.library.meam W W.meam W

neighbor        0.3 bin
neigh_modify    delay 10

thermo          1
dump            1 all custom 1 W.dump.meam id type x y z
log             W.log.lammps

minimize        1.0e-8 1.0e-8 100 10000
Memory usage per processor = 5.54161 Mbytes
Step Temp E_pair E_mol TotEng Press
       0            0   -17.319311            0   -17.319311    14774.728
       1            0   -17.319311            0   -17.319311    14774.728
Loop time of 0.000686884 on 1 procs for 1 steps with 2 atoms

Minimization stats:
  Stopping criterion = linesearch alpha is zero
  Energy initial, next-to-last, final =
        -17.3193114144     -17.3193114144     -17.3193114144
  Force two-norm initial, final = 3.6078e-15 3.6078e-15
  Force max component initial, final = 1.77636e-15 1.77636e-15
  Final line search alpha, max atom move = 0.5 8.88178e-16
  Iterations, force evaluations = 1 2

Pair  time (%) = 0.000593901 (86.463)
Neigh time (%) = 0 (0)
Comm  time (%) = 2.57492e-05 (3.7487)
Outpt time (%) = 0 (0)
Other time (%) = 6.7234e-05 (9.78827)

Nlocal:    2 ave 2 max 2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    339 ave 339 max 339 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    88 ave 88 max 88 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 176 ave 176 max 176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 176
Ave neighs/atom = 88
Neighbor list builds = 0
Dangerous builds = 0
run             0
Memory usage per processor = 4.85483 Mbytes
Step Temp E_pair E_mol TotEng Press
       1            0   -17.319311            0   -17.319311    14774.728
Loop time of 1.90735e-06 on 1 procs for 0 steps with 2 atoms

Pair  time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm  time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 1.90735e-06 (100)

Nlocal:    2 ave 2 max 2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    339 ave 339 max 339 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    88 ave 88 max 88 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 176 ave 176 max 176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 176
Ave neighs/atom = 88
Neighbor list builds = 0
Dangerous builds = 0

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