FeV.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-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


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