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 Iron-Carbon system
units metal
boundary p p p
atom_style atomic
read_data Fe3C.pos
pair_style meam
pair_coeff * * FeC.library.meam Fe C FeC.meam Fe C
neighbor 0.3 bin
neigh_modify delay 10
thermo 1
dump 1 all custom 1 FeC.dump.meam id type x y z
log FeC.log.lammps
minimize 1.0e-8 1.0e-8 100 10000
Memory usage per processor = 5.62181 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0 -78.131461 0 -78.131461 -78712.001
1 0 -78.559403 0 -78.559403 -63855.634
2 0 -78.586562 0 -78.586562 -58992.761
3 0 -78.594226 0 -78.594226 -57339.836
4 0 -78.595176 0 -78.595176 -56542.17
5 0 -78.596141 0 -78.596141 -55967.375
6 0 -78.596452 0 -78.596452 -55926.605
7 0 -78.596503 0 -78.596503 -55949.646
8 0 -78.596548 0 -78.596548 -55702.83
9 0 -78.596556 0 -78.596556 -55666.031
10 0 -78.59656 0 -78.59656 -55605.886
11 0 -78.596561 0 -78.596561 -55589.153
12 0 -78.596561 0 -78.596561 -55578.042
Loop time of 0.0651438 on 1 procs for 12 steps with 16 atoms
Minimization stats:
Stopping criterion = energy tolerance
Energy initial, next-to-last, final =
-78.1314609024 -78.5965607511 -78.5965611743
Force two-norm initial, final = 3.80872 0.00142525
Force max component initial, final = 1.04601 0.000488256
Final line search alpha, max atom move = 0.125 6.1032e-05
Iterations, force evaluations = 12 53
Pair time (%) = 0.0632534 (97.0981)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000754118 (1.15762)
Outpt time (%) = 0.000765324 (1.17482)
Other time (%) = 0.000370979 (0.569477)
Nlocal: 16 ave 16 max 16 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 632 ave 632 max 632 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 932 ave 932 max 932 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 1864 ave 1864 max 1864 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1864
Ave neighs/atom = 116.5
Neighbor list builds = 0
Dangerous builds = 0
run 0
Memory usage per processor = 4.93407 Mbytes
Step Temp E_pair E_mol TotEng Press
12 0 -78.596561 0 -78.596561 -55578.042
Loop time of 9.53674e-07 on 1 procs for 0 steps with 16 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 9.53674e-07 (100)
Nlocal: 16 ave 16 max 16 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 632 ave 632 max 632 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 928 ave 928 max 928 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 1856 ave 1856 max 1856 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1856
Ave neighs/atom = 116
Neighbor list builds = 0
Dangerous builds = 0