FeC.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 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

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