public subroutine coupler_md_init(nsteps, initialstep, dt, icomm_grid, icoord, npxyz_md, globaldomain, density)
Arguments
Type |
Intent | Optional |
Attributes | | Name | |
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
Type | Visibility |
Attributes | | Name | | Initial | |
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 | | | |