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 graphite Aluminum-Magnesium system
units metal
boundary p p p
atom_style atomic
read_data Mg17Al12.pos
orthogonal box = (0 0 0) to (10.69 10.69 10.69)
1 by 1 by 1 processor grid
58 atoms
pair_style meam
pair_coeff * * AlMg.library.meam Mg Al AlMg.meam Mg Al
neighbor 2.0 bin
neigh_modify delay 10
thermo 1
dump 1 all custom 1 AlMg.dump.meam id type x y z
log AlMg.log.lammps
minimize 1.0e-8 1.0e-8 100 10000
Memory usage per processor = 5.69715 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0 -79.825849 0 -79.825849 3954.8712
1 0 -85.340794 0 -85.340794 9184.7869
2 0 -86.301496 0 -86.301496 7706.7697
3 0 -86.452331 0 -86.452331 7043.3952
4 0 -87.333552 0 -87.333552 11134.632
5 0 -98.056847 0 -98.056847 9807.5297
6 0 -99.431706 0 -99.431706 9691.694
7 0 -99.921143 0 -99.921143 7565.4298
8 0 -99.957606 0 -99.957606 6867.7131
9 0 -100.06431 0 -100.06431 6663.2059
10 0 -100.26949 0 -100.26949 4409.4157
11 0 -100.30507 0 -100.30507 3365.2316
12 0 -100.34209 0 -100.34209 3021.2714
13 0 -100.36391 0 -100.36391 3301.1092
14 0 -100.39064 0 -100.39064 2768.8754
15 0 -100.42057 0 -100.42057 2626.3426
16 0 -100.43525 0 -100.43525 2590.8266
17 0 -100.44618 0 -100.44618 2212.9441
18 0 -100.45042 0 -100.45042 2156.6276
19 0 -100.45233 0 -100.45233 1990.4249
20 0 -100.45394 0 -100.45394 1896.3176
21 0 -100.45659 0 -100.45659 1953.2255
22 0 -100.46195 0 -100.46195 1445.7835
23 0 -100.46252 0 -100.46252 1457.6773
24 0 -100.46309 0 -100.46309 1571.993
25 0 -100.46328 0 -100.46328 1574.6924
26 0 -100.46334 0 -100.46334 1556.2651
27 0 -100.4634 0 -100.4634 1545.0307
28 0 -100.46345 0 -100.46345 1559.6064
29 0 -100.46349 0 -100.46349 1562.3232
30 0 -100.4635 0 -100.4635 1568.7666
31 0 -100.46353 0 -100.46353 1555.0808
32 0 -100.46353 0 -100.46353 1556.2556
33 0 -100.46353 0 -100.46353 1557.1298
Loop time of 0.373927 on 1 procs for 33 steps with 58 atoms
Minimization stats:
Stopping criterion = energy tolerance
Energy initial, next-to-last, final =
-79.8258485698 -100.463527562 -100.463528153
Force two-norm initial, final = 8.69865 0.00699487
Force max component initial, final = 1.45847 0.000808264
Final line search alpha, max atom move = 0.015625 1.26291e-05
Iterations, force evaluations = 33 171
Pair time (%) = 0.3665 (98.0137)
Neigh time (%) = 0 (0)
Comm time (%) = 0.00238013 (0.636524)
Outpt time (%) = 0.00374317 (1.00104)
Other time (%) = 0.00130391 (0.348708)
Nlocal: 58 ave 58 max 58 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 678 ave 678 max 678 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1852 ave 1852 max 1852 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 3704 ave 3704 max 3704 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 3704
Ave neighs/atom = 63.8621
Neighbor list builds = 0
Dangerous builds = 0
run 0
Memory usage per processor = 5.00762 Mbytes
Step Temp E_pair E_mol TotEng Press
33 0 -100.46353 0 -100.46353 1557.1298
Loop time of 9.53674e-07 on 1 procs for 0 steps with 58 atoms
Pair time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 9.53674e-07 (100)
Nlocal: 58 ave 58 max 58 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 678 ave 678 max 678 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1900 ave 1900 max 1900 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 3800 ave 3800 max 3800 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 3800
Ave neighs/atom = 65.5172
Neighbor list builds = 0
Dangerous builds = 0