coupler_md_init Subroutine

public subroutine coupler_md_init(nsteps, initialstep, dt, icomm_grid, icoord, npxyz_md, globaldomain, density)

  • Uses:

  • mpi

Arguments

Type IntentOptional AttributesName
integer, intent(inout) :: nsteps
integer, intent(inout) :: initialstep
real(kind=kind(0.d0)), intent(in) :: dt
integer, intent(in) :: icomm_grid
integer, intent(in), dimension(:,:):: icoord
integer, intent(in), dimension(3):: npxyz_md
real(kind=kind(0.d0)), intent(in), dimension(3):: globaldomain
real(kind=kind(0.d0)), intent(in) :: density

Description

Initialisation routine for coupler module - Every variable is sent and stored to ensure both md and cfd region have an identical list of parameters

  • Synopsis

  • coupler_mf_init(nsteps,dt_md,icomm_grid,icoord,npxyz_md,globaldomain,density)

  • Input

  • nsteps

  • Number of time steps the MD code is expected to run for (integer)
  • dt_md
  • MD timestep (dp real)
  • icomm_grid
  • The MPI communicator setup by the MPI_CART_CREATE command in the CFD region (integer)
  • icoord
  • The three coordinate for each rank in the domain (integer array nproc by 3)
  • npxyz_md
  • Number of processors in each cartesian dimension (integer array 3)
  • globaldomain
  • Size of domain in each cartesian dimension (dp real array 3)
  • density
  • Density of the CFD simulation (dp_real)

  • Input/Output

  • NONE

  • Output

  • NONE

@author Edward Smith


Variables

TypeVisibility AttributesNameInitial
integer, public :: i
integer, public :: ib
integer, public :: jb
integer, public :: kb
integer, public :: pcoords(3)
integer, public :: source
integer, public :: nproc
integer, public, dimension(:), allocatable:: buf
integer, public, dimension(:), allocatable:: rank_world2rank_realm
integer, public, dimension(:), allocatable:: rank_world2rank_cart
real(kind=kind(0.d0)), public, dimension(:), allocatable:: rbuf


© 2015 Fortran Program was written by Edward Smith David Trevelyan.
Documentation generated by FORD.