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!! |
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!! Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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!! |
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!! |
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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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!! @version $Id: simParallel.F90,v 1.2 2005-01-12 22:40:45 gezelter Exp $, $Date: 2005-01-12 22:40:45 $, $Name: not supported by cvs2svn $, $Revision: 1.2 $ |
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!! @version $Id: simParallel.F90,v 1.5 2005-09-07 22:23:20 chuckv Exp $, $Date: 2005-09-07 22:23:20 $, $Name: not supported by cvs2svn $, $Revision: 1.5 $ |
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module mpiSimulation |
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use definitions |
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PRIVATE |
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!! 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 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 :: printComponentPlan |
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public :: getMyNode |
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!! PUBLIC Subroutines contained in MPI module |
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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_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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!! PUBLIC mpi variables |
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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_lor |
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public :: mpi_logical |
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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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!! Safety logical to prevent access to ComponetPlan until |
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!! set by C++. |
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!! Safety logical to prevent access to ComponetPlan until |
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!! set by C++. |
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logical, save :: ComponentPlanSet = .false. |
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!! generic mpi error declaration. |
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!! generic mpi error declaration. |
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integer, public :: mpi_err |
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#ifdef PROFILE |
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real :: commTimeInitial,commTimeFinal |
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#endif |
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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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!! 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 "UseTheForce/mpiComponentPlan.h" |
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!! Tags used during force loop for parallel simulation |
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!! Tags used during force loop for parallel simulation |
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integer, public, allocatable, dimension(:) :: AtomLocalToGlobal |
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integer, public, allocatable, dimension(:) :: AtomRowToGlobal |
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integer, public, allocatable, dimension(:) :: AtomColToGlobal |
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integer, public, allocatable, dimension(:) :: GroupRowToGlobal |
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integer, public, allocatable, dimension(:) :: GroupColToGlobal |
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!! Logical set true if mpiSimulation has been initialized |
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!! Logical set true if mpiSimulation has been initialized |
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logical, save :: isSimSet = .false. |
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type (mpiComponentPlan), save :: mpiSim |
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!! gs_plan contains plans for gather and scatter routines |
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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 :: planNprocs !! Number of processors in this plan |
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end type gs_plan |
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! plans for different decompositions |
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! plans for different decompositions |
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type (gs_plan), public, save :: plan_atom_row |
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type (gs_plan), public, save :: plan_atom_row_3d |
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type (gs_plan), public, save :: plan_atom_col |
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type (mpiComponentPlan), pointer :: simComponentPlan |
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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 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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!! 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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!! 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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!write(*,*) 'mpiSim_mod thinks node', thisComponentPlan%myNode, & |
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! ' has atomTags(1) = ', atomTags(1) |
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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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componentPlanSet = .true. |
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!! copy c component plan to fortran |
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mpiSim = thisComponentPlan |
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!write(*,*) "Seting up simParallel" |
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call make_Force_Grid(mpiSim, localStatus) |
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if (localStatus /= 0) then |
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write(default_error,*) "Error creating force grid" |
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status = -1 |
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return |
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endif |
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call updateGridComponents(mpiSim, localStatus) |
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if (localStatus /= 0) then |
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write(default_error,*) "Error updating grid components" |
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mpiSim, mpiSim%rowComm, plan_group_row) |
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call plan_gather_scatter(nDim, mpiSim%nGroupsLocal, & |
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mpiSim, mpiSim%rowComm, plan_group_row_3d) |
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call plan_gather_scatter(1, mpiSim%nAtomsLocal, & |
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mpiSim, mpiSim%columnComm, plan_atom_col) |
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call plan_gather_scatter(nDim, mpiSim%nAtomsLocal, & |
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mpiSim, mpiSim%columnComm, plan_group_col) |
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call plan_gather_scatter(nDim, mpiSim%nGroupsLocal, & |
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mpiSim, mpiSim%columnComm, plan_group_col_3d) |
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! Initialize tags |
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! Initialize tags |
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call setAtomTags(atomTags,localStatus) |
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if (localStatus /= 0) then |
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status = -1 |
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isSimSet = .true. |
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! call printComponentPlan(mpiSim,0) |
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! call printComponentPlan(mpiSim,0) |
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end subroutine setupSimParallel |
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subroutine replanSimParallel(thisComponentPlan,status) |
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! Passed Arguments |
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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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status = -1 |
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return |
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endif |
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!! Unplan Gather Scatter plans |
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call unplan_gather_scatter(plan_atom_row) |
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call unplan_gather_scatter(plan_atom_row_3d) |
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mpiSim, mpiSim%rowComm, plan_group_row) |
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call plan_gather_scatter(nDim, mpiSim%nGroupsLocal, & |
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mpiSim, mpiSim%rowComm, plan_group_row_3d) |
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call plan_gather_scatter(1, mpiSim%nAtomsLocal, & |
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mpiSim, mpiSim%columnComm, plan_atom_col) |
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call plan_gather_scatter(nDim, mpiSim%nAtomsLocal, & |
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mpiSim, mpiSim%columnComm, plan_group_col) |
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call plan_gather_scatter(nDim, mpiSim%nGroupsLocal, & |
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mpiSim, mpiSim%columnComm, plan_group_col_3d) |
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end subroutine replanSimParallel |
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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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!! Status return |
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!! - 0 Success |
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!! - -1 Failure |
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if (thisComponentPlan%nAtomsLocal == 0) then |
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status = -1 |
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return |
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endif |
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endif |
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if (thisComponentPlan%nGroupsLocal == 0) then |
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write(*,*) 'tcp%ngl = ', thisComponentPlan%nGroupsLocal |
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status = -1 |
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return |
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endif |
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nAtomsLocal = thisComponentPlan%nAtomsLocal |
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nGroupsLocal = thisComponentPlan%nGroupsLocal |
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status = -1 |
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return |
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endif |
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call mpi_allreduce(nGroupsLocal, nGroupsInRow, 1, mpi_integer, & |
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mpi_sum, thisComponentPlan%rowComm, mpiErrors) |
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if (mpiErrors /= 0) then |
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integer :: columnCommunicator |
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integer :: myWorldRank |
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integer :: i |
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if (.not. ComponentPlanSet) return |
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status = 0 |
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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%nProcessors == 0 ) then |
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status = -1 |
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return |
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endif |
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else |
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nWorldProcessors = thisComponentPlan%nProcessors |
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myWorldRank = thisComponentPlan%myNode |
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endif |
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nColumnsMax = nint(sqrt(real(nWorldProcessors,kind=dp))) |
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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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435 |
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nRows = nWorldProcessors/nColumns |
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rowIndex = myWorldRank/nColumns |
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439 |
> |
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call mpi_comm_split(mpi_comm_world,rowIndex,0,rowCommunicator,mpiErrors) |
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if ( mpiErrors /= 0 ) then |
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write(default_error,*) "MPI comm split failed at row communicator" |
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status = -1 |
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return |
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endif |
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446 |
> |
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columnIndex = mod(myWorldRank,nColumns) |
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call mpi_comm_split(mpi_comm_world,columnIndex,0,columnCommunicator,mpiErrors) |
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if ( mpiErrors /= 0 ) then |
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status = -1 |
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return |
453 |
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endif |
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454 |
> |
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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%nColumns = nColumns |
462 |
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end subroutine make_Force_Grid |
464 |
< |
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464 |
> |
|
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!! initalizes a gather scatter plan |
466 |
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subroutine plan_gather_scatter( nDim, nObjects, thisComponentPlan, & |
467 |
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thisComm, this_plan, status) |
478 |
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479 |
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if (present(status)) status = 0 |
480 |
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481 |
< |
!! Set gsComponentPlan pointer |
482 |
< |
!! to the componet plan we want to use for this gather scatter plan. |
483 |
< |
!! WARNING this could be dangerous since thisComponentPlan was origionally |
484 |
< |
!! allocated in C++ and there is a significant difference between c and |
485 |
< |
!! f95 pointers.... |
481 |
> |
!! Set gsComponentPlan pointer |
482 |
> |
!! to the componet plan we want to use for this gather scatter plan. |
483 |
> |
!! WARNING this could be dangerous since thisComponentPlan was origionally |
484 |
> |
!! allocated in C++ and there is a significant difference between c and |
485 |
> |
!! f95 pointers.... |
486 |
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this_plan%gsComponentPlan => thisComponentPlan |
487 |
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|
488 |
< |
! Set this plan size for displs array. |
488 |
> |
! Set this plan size for displs array. |
489 |
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this_plan%gsPlanSize = nDim * nObjects |
490 |
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491 |
< |
! Duplicate communicator for this plan |
491 |
> |
! Duplicate communicator for this plan |
492 |
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call mpi_comm_dup(thisComm, this_plan%myPlanComm, mpi_err) |
493 |
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if (mpi_err /= 0) then |
494 |
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if (present(status)) status = -1 |
521 |
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return |
522 |
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end if |
523 |
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|
524 |
< |
!! gather all the local sizes into a size # processors array. |
524 |
> |
!! gather all the local sizes into a size # processors array. |
525 |
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call mpi_allgather(this_plan%gsPlanSize,1,mpi_integer,this_plan%counts, & |
526 |
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1,mpi_integer,thisComm,mpi_err) |
527 |
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|
529 |
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if (present(status)) status = -1 |
530 |
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return |
531 |
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end if |
532 |
< |
|
532 |
> |
|
533 |
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!! figure out the total number of particles in this plan |
534 |
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this_plan%globalPlanSize = sum(this_plan%counts) |
535 |
< |
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535 |
> |
|
536 |
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!! initialize plan displacements. |
537 |
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this_plan%displs(0) = 0 |
538 |
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do i = 1, this_plan%planNprocs - 1,1 |
542 |
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543 |
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subroutine unplan_gather_scatter(this_plan) |
544 |
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type (gs_plan), intent(inout) :: this_plan |
545 |
< |
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545 |
> |
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546 |
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this_plan%gsComponentPlan => null() |
547 |
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call mpi_comm_free(this_plan%myPlanComm,mpi_err) |
548 |
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563 |
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if (present(status)) status = 0 |
564 |
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noffset = this_plan%displs(this_plan%myPlanRank) |
565 |
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|
566 |
< |
! if (getmyNode() == 1) then |
567 |
< |
! write(*,*) "Node 0 printing allgatherv vars" |
568 |
< |
! write(*,*) "Noffset: ", noffset |
569 |
< |
! write(*,*) "PlanSize: ", this_plan%gsPlanSize |
570 |
< |
! write(*,*) "PlanComm: ", this_plan%myPlanComm |
571 |
< |
! end if |
566 |
> |
! if (getmyNode() == 1) then |
567 |
> |
! write(*,*) "Node 0 printing allgatherv vars" |
568 |
> |
! write(*,*) "Noffset: ", noffset |
569 |
> |
! write(*,*) "PlanSize: ", this_plan%gsPlanSize |
570 |
> |
! write(*,*) "PlanComm: ", this_plan%myPlanComm |
571 |
> |
! end if |
572 |
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|
573 |
|
call mpi_allgatherv(sbuffer,this_plan%gsPlanSize, mpi_integer, & |
574 |
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rbuffer,this_plan%counts,this_plan%displs,mpi_integer, & |
575 |
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this_plan%myPlanComm, mpi_err) |
576 |
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|
577 |
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if (mpi_err /= 0) then |
578 |
< |
if (present(status)) status = -1 |
578 |
> |
if (present(status)) status = -1 |
579 |
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endif |
580 |
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|
581 |
|
end subroutine gather_integer |
603 |
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#endif |
604 |
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605 |
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if (mpi_err /= 0) then |
606 |
< |
if (present(status)) status = -1 |
606 |
> |
if (present(status)) status = -1 |
607 |
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endif |
608 |
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|
609 |
|
end subroutine gather_double |
615 |
|
real( kind = DP ), dimension(:,:), intent(inout) :: rbuffer |
616 |
|
integer :: noffset,i,ierror |
617 |
|
integer, intent(out), optional :: status |
618 |
< |
|
618 |
> |
|
619 |
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external mpi_allgatherv |
619 |
– |
|
620 |
– |
if (present(status)) status = 0 |
620 |
|
|
621 |
< |
! noffset = this_plan%displs(this_plan%me) |
621 |
> |
if (present(status)) status = 0 |
622 |
> |
|
623 |
> |
! noffset = this_plan%displs(this_plan%me) |
624 |
|
#ifdef PROFILE |
625 |
< |
call cpu_time(commTimeInitial) |
625 |
> |
call cpu_time(commTimeInitial) |
626 |
|
#endif |
627 |
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|
628 |
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call mpi_allgatherv(sbuffer,this_plan%gsPlanSize, mpi_double_precision, & |
629 |
< |
rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, & |
630 |
< |
this_plan%myPlanComm, mpi_err) |
629 |
> |
rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, & |
630 |
> |
this_plan%myPlanComm, mpi_err) |
631 |
|
|
632 |
|
#ifdef PROFILE |
633 |
|
call cpu_time(commTimeFinal) |
635 |
|
#endif |
636 |
|
|
637 |
|
if (mpi_err /= 0) then |
638 |
< |
if (present(status)) status = -1 |
638 |
> |
if (present(status)) status = -1 |
639 |
|
endif |
640 |
|
|
641 |
< |
end subroutine gather_double_2d |
641 |
> |
end subroutine gather_double_2d |
642 |
|
|
643 |
|
subroutine scatter_double( sbuffer, rbuffer, this_plan, status) |
644 |
|
|
648 |
|
integer, intent(out), optional :: status |
649 |
|
external mpi_reduce_scatter |
650 |
|
|
651 |
< |
if (present(status)) status = 0 |
651 |
> |
if (present(status)) status = 0 |
652 |
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|
653 |
|
#ifdef PROFILE |
654 |
< |
call cpu_time(commTimeInitial) |
654 |
> |
call cpu_time(commTimeInitial) |
655 |
|
#endif |
656 |
|
call mpi_reduce_scatter(sbuffer,rbuffer, this_plan%counts, & |
657 |
|
mpi_double_precision, MPI_SUM, this_plan%myPlanComm, mpi_err) |
661 |
|
#endif |
662 |
|
|
663 |
|
if (mpi_err /= 0) then |
664 |
< |
if (present(status)) status = -1 |
664 |
> |
if (present(status)) status = -1 |
665 |
|
endif |
666 |
|
|
667 |
|
end subroutine scatter_double |
673 |
|
real( kind = DP ), dimension(:,:), intent(inout) :: rbuffer |
674 |
|
integer, intent(out), optional :: status |
675 |
|
external mpi_reduce_scatter |
676 |
< |
|
677 |
< |
if (present(status)) status = 0 |
676 |
> |
|
677 |
> |
if (present(status)) status = 0 |
678 |
|
#ifdef PROFILE |
679 |
< |
call cpu_time(commTimeInitial) |
679 |
> |
call cpu_time(commTimeInitial) |
680 |
|
#endif |
681 |
|
|
682 |
|
call mpi_reduce_scatter(sbuffer,rbuffer, this_plan%counts, & |
687 |
|
#endif |
688 |
|
|
689 |
|
if (mpi_err /= 0) then |
690 |
< |
if (present(status)) status = -1 |
690 |
> |
if (present(status)) status = -1 |
691 |
|
endif |
692 |
|
|
693 |
|
end subroutine scatter_double_2d |
694 |
< |
|
694 |
> |
|
695 |
|
subroutine setAtomTags(tags, status) |
696 |
|
integer, dimension(:) :: tags |
697 |
|
integer :: status |
698 |
|
|
699 |
|
integer :: alloc_stat |
700 |
< |
|
700 |
> |
|
701 |
|
integer :: nAtomsInCol |
702 |
|
integer :: nAtomsInRow |
703 |
|
|
704 |
|
status = 0 |
705 |
< |
! allocate row arrays |
705 |
> |
! allocate row arrays |
706 |
|
nAtomsInRow = getNatomsInRow(plan_atom_row) |
707 |
|
nAtomsInCol = getNatomsInCol(plan_atom_col) |
708 |
< |
|
708 |
> |
|
709 |
|
if(.not. allocated(AtomLocalToGlobal)) then |
710 |
|
allocate(AtomLocalToGlobal(size(tags)),STAT=alloc_stat) |
711 |
< |
if (alloc_stat /= 0 ) then |
711 |
> |
if (alloc_stat /= 0 ) then |
712 |
|
status = -1 |
713 |
|
return |
714 |
|
endif |
739 |
|
endif |
740 |
|
|
741 |
|
endif |
742 |
< |
! allocate column arrays |
742 |
> |
! allocate column arrays |
743 |
|
if (.not. allocated(AtomColToGlobal)) then |
744 |
|
allocate(AtomColToGlobal(nAtomsInCol),STAT=alloc_stat) |
745 |
|
if (alloc_stat /= 0 ) then |
754 |
|
return |
755 |
|
endif |
756 |
|
endif |
757 |
< |
|
757 |
> |
|
758 |
|
call gather(tags, AtomRowToGlobal, plan_atom_row) |
759 |
|
call gather(tags, AtomColToGlobal, plan_atom_col) |
760 |
< |
|
760 |
> |
|
761 |
|
end subroutine setAtomTags |
762 |
|
|
763 |
|
subroutine setGroupTags(tags, status) |
765 |
|
integer :: status |
766 |
|
|
767 |
|
integer :: alloc_stat |
768 |
< |
|
768 |
> |
|
769 |
|
integer :: nGroupsInCol |
770 |
|
integer :: nGroupsInRow |
771 |
|
|
773 |
|
|
774 |
|
nGroupsInRow = getNgroupsInRow(plan_group_row) |
775 |
|
nGroupsInCol = getNgroupsInCol(plan_group_col) |
776 |
< |
|
776 |
> |
|
777 |
|
if(allocated(GroupLocalToGlobal)) then |
778 |
|
deallocate(GroupLocalToGlobal) |
779 |
|
endif |
782 |
|
status = -1 |
783 |
|
return |
784 |
|
endif |
785 |
< |
|
785 |
> |
|
786 |
|
GroupLocalToGlobal = tags |
787 |
|
|
788 |
|
if(allocated(GroupRowToGlobal)) then |
802 |
|
status = -1 |
803 |
|
return |
804 |
|
endif |
805 |
< |
|
805 |
> |
|
806 |
|
call gather(tags, GroupRowToGlobal, plan_group_row) |
807 |
|
call gather(tags, GroupColToGlobal, plan_group_col) |
808 |
< |
|
808 |
> |
|
809 |
|
end subroutine setGroupTags |
810 |
< |
|
810 |
> |
|
811 |
|
function getNatomsInCol(thisplan) result(nInCol) |
812 |
|
type (gs_plan), intent(in) :: thisplan |
813 |
|
integer :: nInCol |
819 |
|
integer :: nInRow |
820 |
|
nInRow = thisplan%gsComponentPlan%nAtomsInRow |
821 |
|
end function getNatomsInRow |
822 |
< |
|
822 |
> |
|
823 |
|
function getNgroupsInCol(thisplan) result(nInCol) |
824 |
|
type (gs_plan), intent(in) :: thisplan |
825 |
|
integer :: nInCol |
831 |
|
integer :: nInRow |
832 |
|
nInRow = thisplan%gsComponentPlan%nGroupsInRow |
833 |
|
end function getNgroupsInRow |
834 |
< |
|
834 |
> |
|
835 |
|
function isMPISimSet() result(isthisSimSet) |
836 |
|
logical :: isthisSimSet |
837 |
|
if (isSimSet) then |
840 |
|
isthisSimSet = .false. |
841 |
|
endif |
842 |
|
end function isMPISimSet |
843 |
< |
|
843 |
> |
|
844 |
|
subroutine printComponentPlan(this_plan,printNode) |
845 |
|
|
846 |
|
type (mpiComponentPlan), intent(in) :: this_plan |
855 |
|
|
856 |
|
if (print_me) then |
857 |
|
write(default_error,*) "SetupSimParallel: writing component plan" |
858 |
< |
|
858 |
> |
|
859 |
|
write(default_error,*) "nMolGlobal: ", mpiSim%nMolGlobal |
860 |
|
write(default_error,*) "nAtomsGlobal: ", mpiSim%nAtomsGlobal |
861 |
|
write(default_error,*) "nAtomsLocal: ", mpiSim%nAtomsLocal |
892 |
|
#endif // is_mpi |
893 |
|
end module mpiSimulation |
894 |
|
|
894 |
– |
#ifdef IS_MPI |
895 |
– |
subroutine setFsimParallel(thisComponentPlan, nAtomTags, atomTags, & |
896 |
– |
nGroupTags, groupTags, status) |
897 |
– |
use mpiSimulation |
898 |
– |
|
899 |
– |
!! Passed Arguments |
900 |
– |
!! mpiComponentPlan struct from C |
901 |
– |
type (mpiComponentPlan), intent(inout) :: thisComponentPlan |
902 |
– |
!! Number of tags passed |
903 |
– |
integer, intent(in) :: nAtomTags, nGroupTags |
904 |
– |
!! Result status, 0 = normal, -1 = error |
905 |
– |
integer, intent(out) :: status |
906 |
– |
integer :: localStatus |
907 |
– |
!! Global reference tag for local particles |
908 |
– |
integer, dimension(nAtomTags), intent(inout) :: atomTags |
909 |
– |
integer, dimension(nGroupTags), intent(inout) :: groupTags |
910 |
– |
|
911 |
– |
call setupSimParallel(thisComponentPlan, nAtomTags, atomTags, & |
912 |
– |
nGroupTags, groupTags, status) |
913 |
– |
|
914 |
– |
|
915 |
– |
end subroutine |
916 |
– |
|
917 |
– |
#endif |
918 |
– |
|
919 |
– |
|