LAMMPS (19 Mar 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:94)
  using 1 OpenMP thread(s) per MPI task
# layer sc iron atoms (in the [001] plane) in bismuth oxide

units 		metal
atom_style 	spin
dimension 	3
boundary 	p p f

# necessary for the serial algorithm (sametag)
atom_modify 	map array

lattice 	sc 3.96
Lattice spacing in x,y,z = 3.96 3.96 3.96
region 		box block 0.0 34.0 0.0 34.0 0.0 5.0
create_box 	1 box
Created orthogonal box = (0 0 0) to (134.64 134.64 19.8)
  2 by 2 by 1 MPI processor grid
create_atoms 	1 box
Created 5780 atoms
  create_atoms CPU = 0.000847816 secs

# setting mass, mag. moments, and interactions for bfo

mass		1 1.0
set 		group all spin/random 11 2.50
  5780 settings made for spin/random

#pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5
pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5 spin/dmi 4.5
pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
pair_coeff 	* * spin/dmi dmi 4.5 0.00005 1.0 1.0 1.0

neighbor 	0.1 bin
neigh_modify 	every 10 check yes delay 20

fix 		1 all precession/spin zeeman 0.0 0.0 0.0 1.0 anisotropy 0.00033 0.0 0.0 1.0
fix_modify      1 energy yes
fix 		2 all langevin/spin 0.0 0.1 21
fix 		3 all nve/spin lattice frozen

timestep	0.0002

compute 	out_mag	 all spin
compute 	out_pe	 all pe
compute 	out_ke	 all ke
compute 	out_temp all temp

variable 	magz	 equal c_out_mag[3]
variable 	magnorm	 equal c_out_mag[4]
variable 	emag	 equal c_out_mag[5]
variable 	tmag	 equal c_out_mag[6]

thermo_style    custom step time v_magnorm pe v_emag temp etotal
thermo          50

compute outsp all property/atom spx spy spz sp fmx fmy fmz
dump 		1 all custom 100 dump_bfo.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]

run 		500
Neighbor list info ...
  update every 10 steps, delay 20 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1
  ghost atom cutoff = 6.1
  binsize = 3.05, bins = 45 45 7
  3 neighbor lists, perpetual/occasional/extra = 3 0 0
  (1) pair spin/exchange, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair spin/magelec, perpetual, copy from (1)
      attributes: full, newton on
      pair build: copy
      stencil: none
      bin: none
  (3) pair spin/dmi, perpetual, copy from (1)
      attributes: full, newton on
      pair build: copy
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 7.744 | 7.744 | 7.744 Mbytes
Step Time v_magnorm PotEng v_emag Temp TotEng 
       0            0  0.010071723  -0.69133656  -0.69133656            0  -0.69133656 
      50         0.01  0.009830993   -1.3200811   -1.3200811            0   -1.3200811 
     100         0.02 0.0095903924   -1.9446727   -1.9446727            0   -1.9446727 
     150         0.03 0.0093489138   -2.5653446   -2.5653446            0   -2.5653446 
     200         0.04 0.0091051405   -3.1824298   -3.1824298            0   -3.1824298 
     250         0.05 0.0088575392   -3.7962506   -3.7962506            0   -3.7962506 
     300         0.06 0.0086053183   -4.4070501   -4.4070501            0   -4.4070501 
     350         0.07 0.0083490958   -5.0149813   -5.0149813            0   -5.0149813 
     400         0.08  0.008090774   -5.6201417   -5.6201417            0   -5.6201417 
     450         0.09 0.0078327123    -6.222622    -6.222622            0    -6.222622 
     500          0.1 0.0075768487   -6.8225497   -6.8225497            0   -6.8225497 
Loop time of 3.92182 on 4 procs for 500 steps with 5780 atoms

Performance: 2.203 ns/day, 10.894 hours/ns, 127.492 timesteps/s
99.9% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.80837    | 0.82745    | 0.8485     |   1.6 | 21.10
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045699   | 0.067487   | 0.090503   |   6.1 |  1.72
Output  | 0.01387    | 0.0139     | 0.01394    |   0.0 |  0.35
Modify  | 3.0065     | 3.0105     | 3.0138     |   0.2 | 76.76
Other   |            | 0.002516   |            |       |  0.06

Nlocal:    1445 ave 1445 max 1445 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:    555 ave 555 max 555 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:  23120 ave 23120 max 23120 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92480
Ave neighs/atom = 16
Neighbor list builds = 0
Dangerous builds = 0

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:03
