LAMMPS (3 Nov 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
# Ti single atom in vacuum

units           metal
boundary        f f f

atom_style      atomic
region          box block -100 100 -100 100 -100 100 units box
create_box              1 box
Created orthogonal box = (-100 -100 -100) to (100 100 100)
  1 by 2 by 2 MPI processor grid
create_atoms    1 single 0 0 0 units box
Created 1 atoms
  using box units in orthogonal box = (-100 -100 -100) to (100 100 100)
  create_atoms CPU = 0.000 seconds

pair_style      meam/sw/spline
pair_coeff      * * Ti.meam.sw.spline Ti
Reading meam/sw/spline potential file Ti.meam.sw.spline with DATE: 2012-02-01
mass            * 47.90

variable        cohesive_energy equal pe/atoms
run                     0
WARNING: No fixes with time integration, atoms won't move (src/verlet.cpp:60)
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 54 54 54
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/sw/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/sw/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 1.05 | 1.644 | 3.425 Mbytes
   Step          Temp          E_pair         E_mol          TotEng         Press     
         0   0              0              0              0              0            
Loop time of 3.81e-06 on 4 procs for 0 steps with 1 atoms

85.3% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 3.81e-06   |            |       |100.00

Nlocal:           0.25 ave           1 max           0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Nghost:           0.75 ave           1 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 3
Neighs:              0 ave           0 max           0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:            0 ave           0 max           0 min
Histogram: 4 0 0 0 0 0 0 0 0 0

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

print           "===================================================="
====================================================
print           "Calculated cohesive energy: ${cohesive_energy} eV/atom"
Calculated cohesive energy: 0 eV/atom
print           "Reference cohesive energy:  0 eV/atom"
Reference cohesive energy:  0 eV/atom
print           "===================================================="
====================================================


#dump           1 all custom 1 single_atom.dump id type x y z fx fy fz
#run            0


Total wall time: 0:00:00
