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-Vanadium system
units metal
boundary p p p
atom_style atomic
read_data FeV.pos
pair_style meam
pair_coeff * * FeV.library.meam Fe V FeV.meam Fe V
neighbor 0.3 bin
neigh_modify delay 10
thermo 1
dump 1 all custom 1 FeV.dump.meam id type x y z
log FeV.log.lammps
minimize 1.0e-8 1.0e-8 100 10000
Memory usage per processor = 5.63004 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0 -70.153528 0 -70.153528 -3445.5205
1 0 -70.156494 0 -70.156494 -2421.6688
2 0 -70.156525 0 -70.156525 -2310.9273
3 0 -70.156526 0 -70.156526 -2299.9368
Loop time of 0.011833 on 1 procs for 3 steps with 16 atoms
Minimization stats:
Stopping criterion = energy tolerance
Energy initial, next-to-last, final =
-70.1535276891 -70.156525318 -70.1565256191
Force two-norm initial, final = 0.293325 0.000291212
Force max component initial, final = 0.0598746 5.94435e-05
Final line search alpha, max atom move = 0.0625 3.71522e-06
Iterations, force evaluations = 3 15
Pair time (%) = 0.0113609 (96.0106)
Neigh time (%) = 0 (0)
Comm time (%) = 0.000185013 (1.56354)
Outpt time (%) = 0.000142813 (1.20691)
Other time (%) = 0.000144243 (1.219)
Nlocal: 16 ave 16 max 16 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 543 ave 543 max 543 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 896 ave 896 max 896 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 1792 ave 1792 max 1792 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1792
Ave neighs/atom = 112
Neighbor list builds = 0
Dangerous builds = 0
run 0
Memory usage per processor = 4.94229 Mbytes
Step Temp E_pair E_mol TotEng Press
3 0 -70.156526 0 -70.156526 -2299.9368
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: 543 ave 543 max 543 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 896 ave 896 max 896 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 1792 ave 1792 max 1792 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1792
Ave neighs/atom = 112
Neighbor list builds = 0
Dangerous builds = 0