AlMg.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 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

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