Ca.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 Calcium system

units           metal
boundary        p p p

atom_style      atomic

read_data       data.meam
  orthogonal box = (0 0 0) to (5.58 5.58 5.58)
  1 by 1 by 1 processor grid
  4 atoms

pair_style      meam
pair_coeff      * * library.meam Ca Ca.meam Ca

neighbor        2.0 bin
neigh_modify    delay 10

thermo          1

dump            1 all custom 1 dump.meam id type x y z
minimize        1.0e-8 1.0e-8 100 10000
Memory usage per processor = 5.53511 Mbytes
Step Temp E_pair E_mol TotEng Press
       0            0        -7.36            0        -7.36 0.00076632265
       1            0        -7.36            0        -7.36 0.00076632265
Loop time of 0.000371933 on 1 procs for 1 steps with 4 atoms

Minimization stats:
  Stopping criterion = search direction is not downhill
  Energy initial, next-to-last, final =
        -7.36000000036     -7.36000000036     -7.36000000036
  Force two-norm initial, final = 0 0
  Force max component initial, final = 0 0
  Final line search alpha, max atom move = 0 0
  Iterations, force evaluations = 1 0

Pair  time (%) = 0.000304937 (81.9872)
Neigh time (%) = 0 (0)
Comm  time (%) = 1.00136e-05 (2.69231)
Outpt time (%) = 0 (0)
Other time (%) = 5.6982e-05 (15.3205)

Nlocal:    4 ave 4 max 4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    360 ave 360 max 360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    156 ave 156 max 156 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 312 ave 312 max 312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 312
Ave neighs/atom = 78
Neighbor list builds = 0
Dangerous builds = 0
run             0
Memory usage per processor = 4.84819 Mbytes
Step Temp E_pair E_mol TotEng Press
       1            0        -7.36            0        -7.36 0.00076632265
Loop time of 9.53674e-07 on 1 procs for 0 steps with 4 atoms

Pair  time (%) = 0 (0)
Neigh time (%) = 0 (0)
Comm  time (%) = 0 (0)
Outpt time (%) = 0 (0)
Other time (%) = 9.53674e-07 (100)

Nlocal:    4 ave 4 max 4 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    360 ave 360 max 360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    156 ave 156 max 156 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 312 ave 312 max 312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 312
Ave neighs/atom = 78
Neighbor list builds = 0
Dangerous builds = 0

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