PartMC  2.6.1
Input File Format: Particle-Resolved Simulation

Run a Monte Carlo simulation.

Parameters
[in,out]fileSpec file.

See Input File Format: Spec File Format for the input file text format.

A particle-resolved simulation spec file has the parameters:

  • run_type (string): must be particle
  • output_prefix (string): prefix of the output filenames — see Output File Format for the full name format
  • n_repeat (integer): number of repeats
  • n_part (integer): number of computational particles to simulate (actual number used will vary between n_part / 2 and n_part * 2 if allow_doubling and allow_halving are yes)
  • restart (logical): whether to restart the simulation from a saved output data file. If restart is yes, then the following parameters must also be provided:
    • restart_file (string): name of file from which to load restart data, which must be a PartMC output NetCDF file
  • t_max (real, unit s): total simulation time
  • del_t (real, unit s): timestep size
  • t_output (real, unit s): the interval on which to output data to disk (see Output File Format)
  • t_progress (real, unit s): the interval on which to write summary information to the screen while running
  • do_camp_chem (logical): whether to run CAMP. If do_camp_chem is yes, then the following parameters must also be provided:
    • camp_config (string): name of JSON file containing a list of CAMP configuration files.
  • gas_data (string): name of file from which to read the gas material data (only provide if restart is no) — the file format should be Input File Format: Gas Material Data
  • gas_init (string): name of file from which to read the initial gas state at the start of the simulation (only provide option if restart is no) — the file format should be Input File Format: Gas State
  • aerosol_data (string): name of file from which to read the aerosol material data (only provide if restart is no) — the file format should be Input File Format: Aerosol Material Data
  • do_fractal (logical): whether to consider particles as fractal agglomerates. If do_fractal is no, then all the particles are treated as spherical. If do_fractal is yes, then the following parameters must also be provided:
  • aerosol_init (string): filename containing the initial aerosol state at the start of the simulation (only provide option if restart is no) — the file format should be Input File Format: Aerosol Distribution
  • Input File Format: Scenario
  • Input File Format: Environment State
  • do_coagulation (logical): whether to perform particle coagulation. If do_coagulation is yes, then the following parameters must also be provided:
  • do_condensation (logical): whether to perform explicit water condensation (requires SUNDIALS support to be compiled in; cannot be used simultaneously with MOSAIC). If do_condensation is yes, then the following parameters must also be provided:
    • do_init_equilibrate (logical): whether to equilibrate the water content of each particle before starting the simulation, note that do_init_equilibriate (sic!) spelling will work as well for compatibility
  • do_mosaic (logical): whether to use the MOSAIC chemistry code (requires support to be compiled in; cannot be used simultaneously with condensation). If do_mosaic is yes, then the following parameters must also be provided:
    • do_optical (logical): whether to compute optical properties of the aerosol particles for the output files — see output_format_aero_state
  • do_nucleation (logical): whether to perform particle nucleation. If do_nucleation is yes, then the following parameters must also be provided:
  • rand_init (integer): if greater than zero then use as the seed for the random number generator, or if zero then generate a random seed for the random number generator — two simulations on the same machine with the same seed (greater than 0) will produce identical output
  • allow_doubling (logical): if yes, then whenever the number of simulated particles falls below n_part / 2, every particle is duplicated to give better statistics
  • allow_halving (logical): if yes, then whenever the number of simulated particles rises above n_part * 2, half of the particles are removed (chosen randomly) to reduce the computational expense
  • do_select_weighting (logical): whether to explicitly select the weighting scheme. If do_select_weighting is yes, then the following parameters must also be provided:
  • record_removals (logical): whether to record information about aerosol particles removed from the simulation — see Output File Format: Aerosol Particle Removal Information
  • do_parallel (logical): whether to run in parallel mode (requires MPI support to be compiled in). If do_parallel is yes, then the following parameters must also be provided:
    • Input File Format: Output Type
    • mix_timescale (real, unit s): timescale on which to mix aerosol particle information amongst processes in an attempt to keep the aerosol state consistent (the mixing rate is inverse to mix_timescale)
    • gas_average (logical): whether to average the gas state amongst processes each timestep, to ensure uniform gas concentrations
    • env_average (logical): whether to average the environment state amongst processes each timestep, to ensure a uniform environment
    • Input File Format: Parallel Coagulation Type