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