LAMMPS (19 Nov 2024 - Development - patch_19Nov2024-836-ge548c656ce)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:99)
  using 1 OpenMP thread(s) per MPI task
variable        sname index Be-solid

units           electron
newton          on
boundary        p p p

atom_style      electron

read_data       data.${sname}
read_data       data.Be-solid
Reading data file ...
  orthogonal box = (0 0 0) to (64.288 63.628618 63.225)
  2 by 2 by 1 MPI processor grid
  reading atoms ...
  20160 atoms
  read_data CPU = 0.060 seconds

pair_style      eff/cut 31.6125
pair_coeff      * *

comm_modify	vel yes

neigh_modify	one 10000 page 100000

compute		effTemp all temp/eff

thermo		10
thermo_style	custom step etotal pe ke temp press
thermo_modify	temp effTemp

compute         1 all property/atom spin eradius
dump            1 all custom 1 ${sname}.spe.lammpstrj id type x y z c_1[1] c_1[2]
dump            1 all custom 1 Be-solid.spe.lammpstrj id type x y z c_1[1] c_1[2]

fix		1 all nve/eff

run 		0

CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Your simulation uses code contributions which should be cited:
- EFF package: doi:10.1002/jcc.21637
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE

Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
Neighbor list info ...
  update: every = 1 steps, delay = 0 steps, check = yes
  max neighbors/atom: 10000, page size: 100000
  master list distance cutoff = 33.6125
  ghost atom cutoff = 33.6125
  binsize = 16.80625, bins = 4 4 4
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair eff/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 152.2 | 157 | 161.7 Mbytes
   Step         TotEng         PotEng         KinEng          Temp          Press     
         0  -49308.807     -49308.807      0              0              1.7906684e+11
Loop time of 2.49575e-06 on 4 procs for 0 steps with 20160 atoms

140.2% 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   |            | 2.496e-06  |            |       |100.00

Nlocal:           5040 ave        5040 max        5040 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:          97370 ave       97370 max       97370 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:    3.11643e+07 ave   3.241e+07 max 2.99372e+07 min
Histogram: 1 0 1 0 0 0 0 1 0 1

Total # of neighbors = 1.2465734e+08
Ave neighs/atom = 6183.4
Neighbor list builds = 0
Dangerous builds = 0

Total wall time: 0:00:03
