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
# bfo in a 3d periodic box

units 		metal
dimension 	3
boundary 	p p f
atom_style 	spin

# 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 1.0
create_box 	1 box
Created orthogonal box = (0 0 0) to (134.64 134.64 3.96)
  1 by 1 by 1 MPI processor grid
create_atoms 	1 box
Created 1156 atoms
  create_atoms CPU = 0.00159788 secs

# setting mass, mag. moments, and interactions for bcc iron

mass		1 1.0
set 		group all spin/random 11 2.50
  1156 settings made for spin/random

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/magelec magelec 4.5 0.00109 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 anisotropy 0.0000033 0.0 0.0 1.0
fix_modify	1 energy yes

timestep	0.0001

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          50
thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
thermo_modify   format float %20.15g

compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]

min_style	spin/lbfgs
# min_modify 	line spin_cubic discrete_factor 10.0
min_modify	norm max
minimize        1.0e-15 1.0e-10 1000 100
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:190)
WARNING: Line search incompatible gneb (../min_spin_lbfgs.cpp:109)
WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:88)
WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:88)
WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:88)
Neighbor list info ...
  update every 1 steps, delay 0 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 2
  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) = 7.748 | 7.748 | 7.748 Mbytes
Step Time v_magnorm v_emag v_tmag Temp TotEng 
       0                    0   0.0205636053306396   -0.109252321944233     1537.40479337332                    0   -0.109252321944233 
      50                0.005 0.000800557938107919    -9.65918446070017    0.293526226015746                    0    -9.65918446070018 
     100                 0.01 0.000434178067296136    -9.81803976806455    0.136842093090897                    0    -9.81803976806459 
     150                0.015 9.48307628510239e-06    -9.85315267460926 0.000835148627123792                    0    -9.85315267460932 
     200                 0.02 9.40072944704056e-06    -9.85364693487847 7.72334770010361e-06                    0    -9.85364693487844 
     250                0.025 5.05117500164935e-07    -9.85364764712935 5.72437821949831e-08                    0    -9.85364764712939 
     300                 0.03 2.15063977474981e-09    -9.85364764787459 2.09970244523395e-12                    0     -9.8536476478746 
     303               0.0303 1.43831710574092e-09    -9.85364764787493 1.70336397715489e-13                    0    -9.85364764787493 
Loop time of 0.328641 on 1 procs for 303 steps with 1156 atoms

100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = energy tolerance
  Energy initial, next-to-last, final = 
       -0.109252321944     -9.85364764787     -9.85364764787
  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 = 303 303

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.27332    | 0.27332    | 0.27332    |   0.0 | 83.17
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.001117   | 0.001117   | 0.001117   |   0.0 |  0.34
Output  | 0.018038   | 0.018038   | 0.018038   |   0.0 |  5.49
Modify  | 0.0020421  | 0.0020421  | 0.0020421  |   0.0 |  0.62
Other   |            | 0.03412    |            |       | 10.38

Nlocal:    1156 ave 1156 max 1156 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    213 ave 213 max 213 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  9248 ave 9248 max 9248 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 9248
Ave neighs/atom = 8
Neighbor list builds = 0
Dangerous builds = 0

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

Total wall time: 0:00:00
