couette.xml

In the following the meaning behind the settings as found in the 'couette.xml' will be explained.

couette-test

domain

• channelheight

  The distance along the z-axis of the two parallel walls enclosing the domain. The domain is defined as being cubic, thus also the total domain size is dictated by this value.<

• wall-init-velocity

  The initial velocity of the wall, stored in a 3-dimensional double-valued vector. Note that it will only be used when wall-init-cycles is unequal to zero.

• wall-init-cycles

  The number of coupling cycles in which the velocity defined in wall-init-velocity instead of wall-velocity is to be used. The transition from wall-init-velocity to wall-velocity will not be interpolated.

• wall-velocity

  The velocity of the wall, stored in a 3-dimensional double-valued vector.

• wall-oscilations

  Can be used to set an oscilating velocity of the wall which is defined by the following formula wall-velocity * cos(2PI * wall-oscillations * CYCLE / coupling-cycles) . Thus the value wall-oscilations sets the number of periods that are run over during the simulation.

coupling

• coupling-cycles

  The total number of coupling cycles to run during the simulation, where each cycle comprises the defined number of MD time steps. Sensible values range from ~200-5000

• two-way-couping

  If enabled MD data is used as boundary conditions for macro solver. Best leave set to no.

• send-from-md-to-macro

  If enabled MD data is transferred, merging and communications to macroscopic solver ranks is allowed. This won't let MD results influence the marco-scale solver but it used for the generation of .csv-files.

• filter-init-cycles

  Sets the number of cycles that are run prior to the couette simulation in which where two-way-coupling and compute-snr are forced. disabled. Can be used for initialization of the noise filter.

• write-csv-every-timestep

  Determines interval in which MD-data is written to generated .csv-files for evaluation after the simulation.

• send-from-macro-to-md

  Enables data extraction from couette solver and communication to MD ranks. Recommended to be set to yes

• compute-snr

  If enabled the computed signal-to-noise ratio between filter output and the macroscopic solver is written to stdout. Only use this feature for sequential test

macroscopic-solver

• type
• viscosity
• number-of-processes
• plot-every-timestep
• init-advance-cycles
• foam-setup-directory
• foam-setup-folder
• boundaries-with-MD

microscopic-solver

• type
• temperature
• equilibrium-steps
• number-of-simulations
• density

mamico

macroscopic-cell-configuration

• cell-size
• linked-cells-per-macroscopic-cell
• write-every-microscopic-timestep
• microscopic-filename
• write-every-macroscopic-timestep
• macroscopic-filename

particle-insertion

• type
• maximum-number-of-iterations
• maximum-number-of-restarts
• insert-every-timestep
• tolerance

momentum-insertion

• type
• outermost-overlap-layer
• innermost-overlap-layer

tranfer-strategy

• type
• mass-flux-west
• mass-flux-east
• mass-flux-north
• mass-flux-south
• mass-flux-bottom
• mass-flux-top
• shift-by-timesteps

boundary-force

• type
• west
• east
• north
• south
• bottom
• top
• density
• temperature

parallel-topology

• type

thermostat

• type
• number-layers

molecular-dynamics

molecule-configuration

• mass
• temperature
• sigma
• epsilon
• mean-velocity

mpi-configuration

• number-of-processes

simulation-configuration

• dt
• number-of-timesteps
• reorganise-memory-every-timesteps
• cumpute-macroscopic-quantities-every-timestep
• fix-seed

vtk-configuration

• filename
• write-every-timestep

adios2-configuration

• directory-name
• write-every-timestep

checkpoint-configuration

• filename
• write-every-timestep

domain-configuration

• xy____init-from-sequential-checkpoint
• molecules-per-direction
• domain-size
• domain-offset
• cutoff-radius
• linked-cell-size
• k_B
• block-size

*[multiple directions]

molecular-dynamics

filter-pipeline

per-instance

• output

post-multi-instance

• output