| 1 |
!! MPI support for long range forces using force decomposition |
| 2 |
!! on a square grid of processors. |
| 3 |
!! Corresponds to mpiSimunation.cpp for C++ |
| 4 |
!! mpi_module also contains a private interface for mpi f90 routines. |
| 5 |
!! |
| 6 |
!! @author Charles F. Vardeman II |
| 7 |
!! @author Matthew Meineke |
| 8 |
!! @version $Id: mpiSimulation_module.F90,v 1.3 2003-01-20 22:36:12 chuckv Exp $, $Date: 2003-01-20 22:36:12 $, $Name: not supported by cvs2svn $, $Revision: 1.3 $ |
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module mpiSimulation |
| 14 |
#ifdef MPI |
| 15 |
use mpi |
| 16 |
implicit none |
| 17 |
PRIVATE |
| 18 |
|
| 19 |
|
| 20 |
!! PUBLIC Subroutines contained in this module |
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!! gather and scatter are a generic interface |
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!! to gather and scatter routines |
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public :: gather, scatter |
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public :: setupSimParallel |
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public :: replanSimParallel |
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public :: getNcol |
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public :: getNrow |
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public :: isMPISimSet |
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|
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|
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!! PUBLIC Subroutines contained in MPI module |
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public :: mpi_bcast |
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public :: mpi_allreduce |
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public :: mpi_reduce |
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public :: mpi_send |
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public :: mpi_recv |
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public :: mpi_get_processor_name |
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public :: mpi_finalize |
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|
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!! PUBLIC mpi variables |
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public :: mpi_comm_world |
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public :: mpi_character |
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public :: mpi_integer |
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public :: mpi_double_precision |
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public :: mpi_sum |
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public :: mpi_max |
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public :: mpi_status_size |
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public :: mpi_any_source |
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|
| 50 |
!! Safety logical to prevent access to ComponetPlan until |
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!! set by C++. |
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logical :: ComponentPlanSet = .false. |
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|
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|
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!! generic mpi error declaration. |
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integer,public :: mpi_err |
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|
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|
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|
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!! Include mpiComponentPlan type. mpiComponentPlan is a |
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!! dual header file for both c and fortran. |
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#define __FORTRAN90 |
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#include "mpiComponentPlan.h" |
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|
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|
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|
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!! Tags used during force loop for parallel simulation |
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integer, allocatable, dimension(:) :: tagLocal |
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integer, public, allocatable, dimension(:) :: tagRow |
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integer ,public, allocatable, dimension(:) :: tagColumn |
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|
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!! Logical set true if mpiSimulation has been initialized |
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logical isSimSet = .false. |
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|
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!! gs_plan contains plans for gather and scatter routines |
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type, public :: gs_plan |
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private |
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type (mpiComponentPlan), pointer :: gsComponentPlan => NULL() |
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integer :: gsPlanSize !! size of this plan (nDim*nComponents) |
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integer :: globalPlanSize !! size of all components in plan |
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integer, dimension(:), pointer :: displs !! Displacements array for mpi indexed from 0. |
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integer, dimension(:), pointer :: counts !! Counts array for mpi indexed from 0. |
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integer :: myPlanComm !! My communicator for this plan |
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integer :: myPlanRank !! My rank in this plan |
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integer :: planNprocs !! Number of processors in this plan |
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end type gs_plan |
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|
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! plans for different decompositions |
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type (gs_plan), public :: plan_row |
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type (gs_plan), public :: plan_row3d |
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type (gs_plan), public :: plan_col |
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type (gs_plan), public :: plan_col3d |
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|
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type (mpiComponentPlan), pointer :: simComponentPlan |
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|
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! interface for gather scatter routines |
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!! Generic interface for gather. |
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!! Gathers an local array into row or column array |
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!! Interface provided for integer, double and double |
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!! rank 2 arrays. |
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interface gather |
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module procedure gather_integer |
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module procedure gather_double |
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module procedure gather_double_2d |
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end interface |
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|
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!! Generic interface for scatter. |
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!! Scatters a row or column array, adding componets |
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!! and reducing them to a local nComponent array. |
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!! Interface provided for double and double rank=2 arrays. |
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interface scatter |
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module procedure scatter_double |
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module procedure scatter_double_2d |
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end interface |
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|
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|
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|
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contains |
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|
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!! Sets up mpiComponentPlan with structure passed from C++. |
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subroutine setupSimParallel(thisComponentPlan,ntags,tags,status) |
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! Passed Arguments |
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! integer, intent(inout) :: nDim !! Number of dimensions |
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!! mpiComponentPlan struct from C |
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type (mpiComponentPlan), intent(inout) :: thisComponentPlan |
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!! Number of tags passed, nlocal |
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integer, intent(in) :: ntags |
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!! Result status, 0 = normal, -1 = error |
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integer, intent(out) :: status |
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integer :: localStatus |
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!! Global reference tag for local particles |
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integer, dimension(ntags),intent(inout) :: tags |
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|
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status = 0 |
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if (componentPlanSet) then |
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return |
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endif |
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|
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componentPlanSet = .true. |
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|
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call make_Force_Grid(thisComponentPlan,localStatus) |
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if (localStatus /= 0) then |
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status = -1 |
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return |
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endif |
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|
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call updateGridComponents(thisComponentPlan,localStatus) |
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if (localStatus /= 0) then |
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status = -1 |
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return |
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endif |
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|
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!! initialize gather and scatter plans used in this simulation |
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call plan_gather_scatter(1,thisComponentPlan%nComponentsRow,& |
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thisComponentPlan,row_comm,plan_row) |
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call plan_gather_scatter(nDim,thisComponentPlan%nComponentsRow,& |
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thisComponentPlan,row_comm,plan_row3d) |
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call plan_gather_scatter(1,thisComponentPlan%nComponentsColumn,& |
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thisComponentPlan,col_comm,plan_col) |
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call plan_gather_scatter(nDim,thisComponentPlan%nComponentsColumn,& |
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thisComponentPlan,col_comm,plan_col3d) |
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|
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! Initialize tags |
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call setTags(tags,localStatus) |
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if (localStatus /= 0) then |
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status = -1 |
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return |
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endif |
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isSimSet = .true. |
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end subroutine setupSimParallel |
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|
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subroutine replanSimParallel(thisComponentPlan,status) |
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! Passed Arguments |
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!! mpiComponentPlan struct from C |
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type (mpiComponentPlan), intent(inout) :: thisComponentPlan |
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integer, intent(out) :: status |
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integer, intnet(out) :: localStatus |
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|
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status = 0 |
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|
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call updateGridComponents(thisComponentPlan,localStatus) |
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if (localStatus /= 0) then |
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status = -1 |
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return |
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endif |
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|
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!! Unplan Gather Scatter plans |
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call unplan_gather_scatter(plan_row) |
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call unplan_gather_scatter(plan_row3d) |
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call unplan_gather_scatter(plan_col) |
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call unplan_gather_scatter(plan_col3d) |
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|
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|
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!! initialize gather and scatter plans used in this simulation |
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call plan_gather_scatter(1,thisComponentPlan%nComponentsRow,& |
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thisComponentPlan,row_comm,plan_row) |
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call plan_gather_scatter(nDim,thisComponentPlan%nComponentsRow,& |
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thisComponentPlan,row_comm,plan_row3d) |
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call plan_gather_scatter(1,thisComponentPlan%nComponentsColumn,& |
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thisComponentPlan,col_comm,plan_col) |
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call plan_gather_scatter(nDim,thisComponentPlan%nComponentsColumn,& |
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thisComponentPlan,col_comm,plan_col3d) |
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|
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|
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|
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end subroutine replanSimParallel |
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|
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!! Updates number of row and column components for long range forces. |
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subroutine updateGridComponents(thisComponentPlan,status) |
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type (mpiComponentPlan) :: thisComponentPlan !! mpiComponentPlan |
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|
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!! Status return |
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!! - 0 Success |
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!! - -1 Failure |
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integer, intent(out) :: status |
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integer :: nComponentsLocal |
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integer :: nComponentsRow = 0 |
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integer :: nComponensColumn = 0 |
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integer :: mpiErrors |
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|
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status = 0 |
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if (.not. componentPlanSet) return |
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|
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if (thisComponentPlan%myNlocal == 0 ) then |
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status = -1 |
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return |
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endif |
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|
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nComponentsLocal = thisComponentPlan%myNlocal |
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|
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call mpi_allreduce(nComponentsLocal,nComponentsRow,1,mpi_integer,& |
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mpi_sum,thisComponentPlan%rowComm,mpiError) |
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if (mpiErrors /= 0) then |
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status = -1 |
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return |
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endif |
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|
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call mpi_allreduce(nComponentsLocal,nComponentsColumn,1,mpi_integer, & |
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mpi_sum,thisComponentPlan%columnComm,mpiError) |
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if (mpiErrors /= 0) then |
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status = -1 |
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return |
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endif |
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|
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thisComponentPlan%nComponentsRow = nComponentsRow |
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thisComponentPlan%nComponentsColumn = nComponentsColumn |
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|
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|
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end subroutine updateGridComponents |
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|
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|
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!! Creates a square force decomposition of processors into row and column |
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!! communicators. |
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subroutine make_Force_Grid(thisComponentPlan,status) |
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type (mpiComponentPlan) :: thisComponentPlan |
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integer, intent(out) :: status !! status returns -1 if error |
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integer :: nColumnsMax !! Maximum number of columns |
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integer :: nWorldProcessors !! Total number of processors in World comm. |
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integer :: rowIndex !! Row for this processor. |
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integer :: columnIndex !! Column for this processor. |
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integer :: nRows !! Total number of rows. |
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integer :: nColumns !! Total number of columns. |
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integer :: mpiErrors !! MPI errors. |
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integer :: rowCommunicator !! MPI row communicator. |
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integer :: columnCommunicator |
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integer :: myWorldRank |
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integer :: i |
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|
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|
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if (.not. ComponentPlanSet) return |
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status = 0 |
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|
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!! We make a dangerous assumption here that if numberProcessors is |
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!! zero, then we need to get the information from MPI. |
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if (thisComponentPlan%numberProcessors == 0 ) then |
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call mpi_comm_size( MPI_COMM_WORLD, nWorldProcessors,mpiErrors) |
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if ( mpiErrors /= 0 ) then |
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status = -1 |
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return |
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endif |
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call mpi_comm_rank( MPI_COMM_WORLD,myWorldRank,mpiErrors) |
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if ( mpiErrors /= 0 ) then |
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status = -1 |
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return |
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endif |
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|
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else |
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nWorldProcessors = thisComponentPlan%numberProcessors |
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myWorldRank = thisComponentPlan%myRank |
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endif |
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|
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|
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|
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|
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nColumnsMax = nint(sqrt(real(nWorldProcessors,kind=dp))) |
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|
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do i = 1, nColumnsMax |
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if (mod(nWorldProcessors,i) == 0) nColumns = i |
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end do |
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|
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nRows = nWorldProcessors/nColumns |
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|
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rowIndex = myWorldRank/nColumns |
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call mpi_comm_split(mpi_comm_world,rowIndex,0,rowCommunicator,mpiError) |
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if ( mpiErrors /= 0 ) then |
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status = -1 |
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return |
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endif |
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|
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columnIndex = mod(myWorldRank,nColumns) |
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call mpi_comm_split(mpi_comm_world,columnIndex,0,columnCommunicator,mpiError) |
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if ( mpiErrors /= 0 ) then |
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status = -1 |
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return |
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endif |
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|
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! Set appropriate components of thisComponentPlan |
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thisComponentPlan%rowComm = rowCommunicator |
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thisComponentPlan%columnComm = columnCommunicator |
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thisComponentPlan%rowIndex = rowIndex |
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thisComponentPlan%columnIndex = columnIndex |
| 322 |
thisComponentPlan%numberRows = nRows |
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thisComponentPlan%numberColumns = nColumns |
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|
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|
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end subroutine make_Force_Grid |
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|
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|
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!! initalizes a gather scatter plan |
| 330 |
subroutine plan_gather_scatter( nDim,nComponents,thisComponentPlan, & |
| 331 |
thisComm, this_plan,status) |
| 332 |
integer, intent(in) :: nDim !! Number of dimensions for gather scatter plan |
| 333 |
integer, intent(in) :: nComponents |
| 334 |
type (mpiComponentPlan), intent(in), target :: thisComponentPlan |
| 335 |
type (gs_plan), intent(out) :: this_plan !! MPI Component Plan |
| 336 |
integer, intent(in) :: thisComm !! MPI communicator for this plan |
| 337 |
|
| 338 |
integer :: arraySize !! size to allocate plan for |
| 339 |
integer, intent(out), optional :: status |
| 340 |
integer :: ierror |
| 341 |
integer :: i,junk |
| 342 |
|
| 343 |
if (present(status)) status = 0 |
| 344 |
|
| 345 |
|
| 346 |
!! Set gsComponetPlan pointer |
| 347 |
!! to the componet plan we want to use for this gather scatter plan. |
| 348 |
!! WARNING this could be dangerous since thisComponentPlan was origionally |
| 349 |
!! allocated in C++ and there is a significant difference between c and |
| 350 |
!! f95 pointers.... |
| 351 |
gsComponentPlan => thisComponetPlan |
| 352 |
|
| 353 |
! Set this plan size for displs array. |
| 354 |
this_plan%gsPlanSize = nDim * nComponents |
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|
| 356 |
! Duplicate communicator for this plan |
| 357 |
call mpi_comm_dup(thisComm,this_plan%myPlanComm,mpi_err) |
| 358 |
if (mpi_err /= 0) then |
| 359 |
if (present(status)) status = -1 |
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return |
| 361 |
end if |
| 362 |
call mpi_comm_rank(this_plan%myPlanComm,this_plan%myPlanRank,mpi_err) |
| 363 |
if (mpi_err /= 0) then |
| 364 |
if (present(status)) status = -1 |
| 365 |
return |
| 366 |
end if |
| 367 |
|
| 368 |
call mpi_comm_size(this_plan%myPlanComm,this_plan%planNprocs,mpi_err) |
| 369 |
|
| 370 |
if (mpi_err /= 0) then |
| 371 |
if (present(status)) status = -1 |
| 372 |
return |
| 373 |
end if |
| 374 |
|
| 375 |
!! counts and displacements arrays are indexed from 0 to be compatable |
| 376 |
!! with MPI arrays. |
| 377 |
allocate (this_plan%counts(0:this_plan%planNprocs-1),STAT=ierror) |
| 378 |
if (ierror /= 0) then |
| 379 |
if (present(status)) status = -1 |
| 380 |
return |
| 381 |
end if |
| 382 |
|
| 383 |
allocate (this_plan%displs(0:this_plan%planNprocs-1),STAT=ierror) |
| 384 |
if (ierror /= 0) then |
| 385 |
if (present(status)) status = -1 |
| 386 |
return |
| 387 |
end if |
| 388 |
|
| 389 |
!! gather all the local sizes into a size # processors array. |
| 390 |
call mpi_allgather(gs_plan%gsPlanSize,1,mpi_integer,this_plan%counts, & |
| 391 |
1,mpi_integer,comm,mpi_err) |
| 392 |
|
| 393 |
if (mpi_err /= 0) then |
| 394 |
if (present(status)) status = -1 |
| 395 |
return |
| 396 |
end if |
| 397 |
|
| 398 |
|
| 399 |
!! figure out the total number of particles in this plan |
| 400 |
this_plan%globalPlanSize = sum(this_plan%counts) |
| 401 |
|
| 402 |
|
| 403 |
!! initialize plan displacements. |
| 404 |
this_plan%displs(0) = 0 |
| 405 |
do i = 1, this_plan%planNprocs - 1,1 |
| 406 |
this_plan%displs(i) = this_plan%displs(i-1) + this_plan%counts(i-1) |
| 407 |
end do |
| 408 |
|
| 409 |
end subroutine plan_gather_scatter |
| 410 |
|
| 411 |
|
| 412 |
subroutine unplan_gather_scatter(this_plan) |
| 413 |
type (gs_plan), intent(inout) :: this_plan |
| 414 |
|
| 415 |
|
| 416 |
this_plan%gsComponentPlan => null() |
| 417 |
call mpi_comm_free(this_plan%comm,mpi_err) |
| 418 |
|
| 419 |
deallocate(this_plan%counts) |
| 420 |
deallocate(this_plan%displs) |
| 421 |
|
| 422 |
end subroutine unplan_gather_scatter |
| 423 |
|
| 424 |
subroutine gather_integer( sbuffer, rbuffer, this_plan, status) |
| 425 |
|
| 426 |
type (gs_plan), intent(in) :: this_plan |
| 427 |
integer, dimension(:), intent(in) :: sbuffer |
| 428 |
integer, dimension(:), intent(in) :: rbuffer |
| 429 |
integer :: noffset |
| 430 |
integer, intent(out), optional :: status |
| 431 |
|
| 432 |
if (present(status)) status = 0 |
| 433 |
noffset = this_plan%displs(this_plan%myPlanRank) |
| 434 |
|
| 435 |
call mpi_allgatherv(sbuffer,this_plan%gsPlanSize, mpi_integer, & |
| 436 |
rbuffer,this_plan%counts,this_plan%displs,mpi_integer, & |
| 437 |
this_plan%myPlanComm, mpi_err) |
| 438 |
|
| 439 |
if (mpi_err /= 0) then |
| 440 |
if (present(status)) status = -1 |
| 441 |
endif |
| 442 |
|
| 443 |
end subroutine gather_integer |
| 444 |
|
| 445 |
subroutine gather_double( sbuffer, rbuffer, this_plan, status) |
| 446 |
|
| 447 |
type (gs_plan), intent(in) :: this_plan |
| 448 |
real( kind = DP ), dimension(:), intent(in) :: sbuffer |
| 449 |
real( kind = DP ), dimension(:), intent(in) :: rbuffer |
| 450 |
integer :: noffset |
| 451 |
integer, intent(out), optional :: status |
| 452 |
|
| 453 |
if (present(status)) status = 0 |
| 454 |
noffset = this_plan%displs(this_plan%me) |
| 455 |
|
| 456 |
call mpi_allgatherv(sbuffer,this_plan%gsPlanSize, mpi_double_precision, & |
| 457 |
rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, & |
| 458 |
this_plan%myPlanComm, mpi_err) |
| 459 |
|
| 460 |
if (mpi_err /= 0) then |
| 461 |
if (present(status)) status = -1 |
| 462 |
endif |
| 463 |
|
| 464 |
end subroutine gather_double |
| 465 |
|
| 466 |
subroutine gather_double_2d( sbuffer, rbuffer, this_plan, status) |
| 467 |
|
| 468 |
type (gs_plan), intent(in) :: this_plan |
| 469 |
real( kind = DP ), dimension(:,:), intent(in) :: sbuffer |
| 470 |
real( kind = DP ), dimension(:,:), intent(in) :: rbuffer |
| 471 |
integer :: noffset,i,ierror |
| 472 |
integer, intent(out), optional :: status |
| 473 |
|
| 474 |
external mpi_allgatherv |
| 475 |
|
| 476 |
if (present(status)) status = 0 |
| 477 |
|
| 478 |
! noffset = this_plan%displs(this_plan%me) |
| 479 |
|
| 480 |
call mpi_allgatherv(sbuffer,this_plan%gsPlanSize, mpi_double_precision, & |
| 481 |
rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, & |
| 482 |
this_plan%myPlanComm, mpi_err) |
| 483 |
|
| 484 |
if (mpi_err /= 0) then |
| 485 |
if (present(status)) status = -1 |
| 486 |
endif |
| 487 |
|
| 488 |
end subroutine gather_double_2d |
| 489 |
|
| 490 |
subroutine scatter_double( sbuffer, rbuffer, this_plan, status) |
| 491 |
|
| 492 |
type (gs_plan), intent(in) :: this_plan |
| 493 |
real( kind = DP ), dimension(:), intent(in) :: sbuffer |
| 494 |
real( kind = DP ), dimension(:), intent(in) :: rbuffer |
| 495 |
integer, intent(out), optional :: status |
| 496 |
external mpi_reduce_scatter |
| 497 |
|
| 498 |
if (present(status)) status = 0 |
| 499 |
|
| 500 |
call mpi_reduce_scatter(sbuffer,rbuffer, this_plan%counts, & |
| 501 |
mpi_double_precision, MPI_SUM, this_plan%myPlanComm, mpi_err) |
| 502 |
|
| 503 |
if (mpi_err /= 0) then |
| 504 |
if (present(status)) status = -1 |
| 505 |
endif |
| 506 |
|
| 507 |
end subroutine scatter_double |
| 508 |
|
| 509 |
subroutine scatter_double_2d( sbuffer, rbuffer, this_plan, status) |
| 510 |
|
| 511 |
type (gs_plan), intent(in) :: this_plan |
| 512 |
real( kind = DP ), dimension(:,:), intent(in) :: sbuffer |
| 513 |
real( kind = DP ), dimension(:,:), intent(in) :: rbuffer |
| 514 |
integer, intent(out), optional :: status |
| 515 |
external mpi_reduce_scatter |
| 516 |
|
| 517 |
if (present(status)) status = 0 |
| 518 |
call mpi_reduce_scatter(sbuffer,rbuffer, this_plan%counts, & |
| 519 |
mpi_double_precision, MPI_SUM, this_plan%myPlanComm, mpi_err) |
| 520 |
|
| 521 |
if (mpi_err /= 0) then |
| 522 |
if (present(status)) status = -1 |
| 523 |
endif |
| 524 |
|
| 525 |
end subroutine scatter_double_2d |
| 526 |
|
| 527 |
|
| 528 |
subroutine setTags(tags,status) |
| 529 |
integer, dimension(:) tags |
| 530 |
integer :: status |
| 531 |
|
| 532 |
integer :: alloc_stat |
| 533 |
|
| 534 |
status = 0 |
| 535 |
! allocate row arrays |
| 536 |
if (.not. allocated(tagRow)) then |
| 537 |
allocate(tagRow(getNrow(plan_row)),STAT=alloc_stat) |
| 538 |
if (alloc_stat /= 0 ) then |
| 539 |
status = -1 |
| 540 |
return |
| 541 |
endif |
| 542 |
else |
| 543 |
deallocate(tagRow) |
| 544 |
allocate(tagRow(getNrow(plan_row)),STAT=alloc_stat) |
| 545 |
if (alloc_stat /= 0 ) then |
| 546 |
status = -1 |
| 547 |
return |
| 548 |
endif |
| 549 |
|
| 550 |
endif |
| 551 |
! allocate column arrays |
| 552 |
if (.not. allocated(tagCol)) then |
| 553 |
allocate(tagCol(getNcol(plan_col)),STAT=alloc_stat) |
| 554 |
if (alloc_stat /= 0 ) then |
| 555 |
status = -1 |
| 556 |
return |
| 557 |
endif |
| 558 |
else |
| 559 |
deallocate(tagCol) |
| 560 |
allocate(tagCol(getNcol(plan_col)),STAT=alloc_stat) |
| 561 |
if (alloc_stat /= 0 ) then |
| 562 |
status = -1 |
| 563 |
return |
| 564 |
endif |
| 565 |
endif |
| 566 |
|
| 567 |
call gather(tags,tagRow,plan_row) |
| 568 |
call gather(tags,tagCol,plan_col) |
| 569 |
|
| 570 |
|
| 571 |
end subroutine setTags |
| 572 |
|
| 573 |
function getNcol(thisplan) result(ncol) |
| 574 |
type (gsPlan) :: thisplan |
| 575 |
integer :: ncol |
| 576 |
ncol = thisplan%gsComponentPlan%nComponentsCol |
| 577 |
end function getNcol |
| 578 |
|
| 579 |
function getNrow(thisplan) result(ncol) |
| 580 |
type (gsPlan) :: thisplan |
| 581 |
integer :: ncol |
| 582 |
ncol = thisplan%gsComponentPlan%nComponentsrow |
| 583 |
end function getNrow |
| 584 |
|
| 585 |
logical function isMPISimSet() result(isthisSimSet) |
| 586 |
logical :: isthisSimSet |
| 587 |
if (isSimSet) then |
| 588 |
isthisSimSet = .true. |
| 589 |
else |
| 590 |
isthisSimSet = .false. |
| 591 |
endif |
| 592 |
end function isMPISimSet |
| 593 |
|
| 594 |
|
| 595 |
|
| 596 |
#endif |
| 597 |
end module mpiSimulation |
| 598 |
|
