LAMMPS (11 May 2018)
# fcc cobalt in a 3d periodic box

units 		metal
atom_style 	spin

dimension 	3
boundary	p p p

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

lattice 	hcp 2.5071
Lattice spacing in x,y,z = 2.5071 4.34242 4.09408
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 (12.5355 21.7121 20.4704)
  1 by 1 by 1 MPI processor grid
create_atoms 	1 box
Created 500 atoms
  Time spent = 0.00027585 secs

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

mass		1 58.93

set 		group all spin/random 31 1.72
  500 settings made for spin/random

pair_style	spin/exchange 4.0
pair_coeff 	* * exchange 4.0 0.3593 1.135028015e-05 1.064568567

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
fix 		2 all langevin/spin 100.0 0.01 21

fix 		3 all nve/spin lattice no
timestep	0.0001

# compute and output options

compute 	out_mag    all compute/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 v_emag temp etotal
thermo          100

compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
dump 		100 all custom 1 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]

run 		1000
Neighbor list info ...
  update every 10 steps, delay 20 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 4.1
  ghost atom cutoff = 4.1
  binsize = 2.05, bins = 7 11 10
  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) = 6.446 | 6.446 | 6.446 Mbytes
Step Time v_magnorm v_emag Temp TotEng 
       0            0  0.076558814    1.7982359            0    1.7982359 
     100         0.01  0.079107243   0.56368447            0   0.56368447 
     200         0.02   0.08225862  -0.42421042            0  -0.42421042 
     300         0.03   0.08397714   -1.4964948            0   -1.4964948 
     400         0.04  0.084704989   -2.6740652            0   -2.6740652 
     500         0.05  0.087486342   -4.2043382            0   -4.2043382 
     600         0.06   0.09187261   -5.6687169            0   -5.6687169 
     700         0.07  0.096925249    -6.937499            0    -6.937499 
     800         0.08  0.098988236   -8.2456715            0   -8.2456715 
     900         0.09   0.10434092   -10.111953            0   -10.111953 
    1000          0.1   0.10612006   -11.811027            0   -11.811027 
Loop time of 2.60215 on 1 procs for 1000 steps with 500 atoms

Performance: 3.320 ns/day, 7.228 hours/ns, 384.297 timesteps/s
99.0% CPU use with 1 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.35178    | 0.35178    | 0.35178    |   0.0 | 13.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.014421   | 0.014421   | 0.014421   |   0.0 |  0.55
Output  | 1.2046     | 1.2046     | 1.2046     |   0.0 | 46.29
Modify  | 1.0274     | 1.0274     | 1.0274     |   0.0 | 39.48
Other   |            | 0.004006   |            |       |  0.15

Nlocal:    500 ave 500 max 500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    1221 ave 1221 max 1221 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:  10000 ave 10000 max 10000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 10000
Ave neighs/atom = 20
Neighbor list builds = 0
Dangerous builds = 0
write_restart 	restart_hcp_cobalt.equil


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

Total wall time: 0:00:02
