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
# bcc iron 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 	bcc 2.8665
Lattice spacing in x,y,z = 2.8665 2.8665 2.8665
region 		box block 0.0 5.0 0.0 5.0 0.0 5.0
create_box 	1 box
Created orthogonal box = (0 0 0) to (14.3325 14.3325 14.3325)
  1 by 2 by 2 MPI processor grid
create_atoms 	1 box
Created 250 atoms
  create_atoms CPU = 0.000731945 secs

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

mass		1 55.845
set 		group all spin/random 31 2.2
  250 settings made for spin/random
#set 		group all spin 2.2 1.0 1.0 -1.0

pair_style 	spin/exchange 3.5
pair_coeff 	* * exchange 3.4 0.02726 0.2171 1.841

neighbor 	0.1 bin
neigh_modify 	every 10 check yes delay 20

#fix 		1 all precession/spin zeeman 0.001 0.0 0.0 1.0 anisotropy 0.01 1.0 0.0 0.0
fix 		1 all precession/spin anisotropy 0.0001 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 	magx      equal c_out_mag[1]
variable 	magy      equal c_out_mag[2]
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          100
thermo_style    custom step time v_magx v_magz v_magnorm v_tmag etotal
thermo_modify   format float %20.15g

compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
dump 		1 all custom 100 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
min_modify 	alpha_damp 1.0 discrete_factor 10.0
minimize        1.0e-10 1.0e-10 1000 100
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:190)
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 = 3.6
  ghost atom cutoff = 3.6
  binsize = 1.8, bins = 8 8 8
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair spin/exchange, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.828 | 6.829 | 6.829 Mbytes
Step Time v_magx v_magz v_magnorm v_tmag TotEng 
       0                    0  -0.0285071136621457 -0.00948990815281275   0.0764569750905723      5048.5607623768   -0.354774619362399 
     100                 0.01   -0.584953861980204  -0.0517163256267969    0.999992350892306 6.25556948778489e-05    -25.2894057771132 
     200                 0.02   -0.584864756506845  -0.0547143484057154    0.999999990495506 3.49782260454051e-06    -25.2894359914181 
     300                 0.03     -0.5847600493607  -0.0578846348986585    0.999999999988173 3.83095226804998e-06    -25.2894449433168 
     400                 0.04   -0.584642875238891    -0.06123730753627    0.999999999999984 4.28575832708228e-06    -25.2894549277729 
     500                 0.05   -0.584511765589526  -0.0647826190376232    0.999999999999999 4.79421486949061e-06    -25.2894660972702 
     600                 0.06   -0.584365074206158  -0.0685313536438759    0.999999999999999 5.36242072641826e-06    -25.2894785912378 
     700                 0.07   -0.584200963215272  -0.0724948469588718                    1 5.99725249459218e-06    -25.2894925651479 
     800                 0.08   -0.584017381477007  -0.0766850043611196                    1  6.7063419199184e-06    -25.2895081923244 
     900                 0.09   -0.583812040722352  -0.0811143180675365    0.999999999999998 7.49814943594153e-06    -25.2895256658919 
    1000                  0.1   -0.583582389243979  -0.0857958823565732    0.999999999999999 8.38204259112203e-06    -25.2895452009127 
Loop time of 0.086317 on 4 procs for 1000 steps with 250 atoms

99.9% CPU use with 4 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = max iterations
  Energy initial, next-to-last, final = 
       -0.354774619362     -25.2895449946     -25.2895452009
  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 = 1000 1000

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.042744   | 0.045964   | 0.049416   |   1.2 | 53.25
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026905   | 0.030113   | 0.033464   |   1.5 | 34.89
Output  | 0.0023746  | 0.0023909  | 0.0024335  |   0.1 |  2.77
Modify  | 0.00052047 | 0.00055218 | 0.00058579 |   0.0 |  0.64
Other   |            | 0.007297   |            |       |  8.45

Nlocal:    62.5 ave 65 max 60 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:    217.5 ave 240 max 195 min
Histogram: 1 1 0 0 0 0 0 0 1 1
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:  800 ave 825 max 775 min
Histogram: 2 0 0 0 0 0 0 0 0 2

Total # of neighbors = 3200
Ave neighs/atom = 12.8
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:00
