Commands & Concepts¶

spparks input file¶

• Run spparks:

  # SPPARKS 'potts' model for modeling 'grain' growth;
  # Initialize microstructure with synthetic data
  # kT="0.5"
  # let Q=2048
  # mpiexec -np 8 spk_flame.gnu -var kT $kT -var Q $Q < synthetic.in
  

• Download 'synthetic.in'

  # SPPARKS 'potts' model for modeling 'grain' growth; 
  # Initialize microstructure with synthetic data
  # kT="0.5"
  # let Q=2048
  # mpiexec -np 8 spk_flame.gnu -var kT $kT -var Q $Q < synthetic.in
  
  seed		 56689
  
  # Use 'Potts' app to simulate grain growth;
  # Site 'spins' can assume values of its nearest neighbors.
  app_style	 potts/neighonly ${Q}
  
  # 3d lattice; Each site has 26 neighbors
  dimension	 3
  lattice		 sc/26n 1.0
  
  # Define lattice extent called 'brick'; 
  region		 brick block 0 128 0 128 0 128
  
  # Define 'axis' aligned simulation domain on 'square'
  create_box       brick
  
  # Creates sites on lattice defined above; also creates neighborhood list for each site
  create_sites     box
  
  # Read synthetic data
  read_sites spparks.init.sites
  
  # Simulation temperature; Units of energy
  temperature	 ${kT}
  
  # KMC solver
  solve_style      tree
  # sectors are required to run 'tree' kmc in parallel
  sector yes
  
  # Diagnostic style energy computes the total energy for all sites
  diag_style       energy
  
  # Print diagnostic information to screen and log file every 50.0 seconds
  stats            50.0
  
  # Write snapshot of site values to 'synthetic.dump' every 50.0 seconds 
  dump  1 text  50.0 synthetic.dump
  
  dump synthetic_image image 50 synthetic.*.jpg site site crange 1 ${Q} drange 1 1 boundary site 1 shape cube box no 1 zoom 1.5 size 256 256
  dump_modify synthetic_image boundcolor black backcolor white pad 4 
  
  # Run for 800 steps
  run              800.00
  

• LARGE FILE Hangs browser unless you right click to save; 'spparks.init.sites'

  # SNIPPETS of 'spparks.init.sites'; This line is ignored 
  Values 
   
  1 166
  2 166
  3 33
  4 33
  5 33
  6 33
  7 33
  8 33
  SNIP
  ...
  19 106
  20 106
  21 106
  22 106
  23 106
  24 106
  25 106
  SNIP
  ...
  35 130
  36 130
  37 130
  38 130
  39 130
  40 130
  41 130
  42 130
  43 130
  SNIP
  ...
  2097139 66
  2097140 66
  2097141 66
  2097142 66
  2097143 66
  2097144 66
  2097145 66
  2097146 66
  2097147 166
  2097148 166
  2097149 166
  2097150 166
  2097151 166
  2097152 166
  

[1]	https://www.uwgb.edu/dutchs/symmetry/bravais.htm