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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: mpiSimulation_module.F90,v 1.4 2003-01-30 15:20:21 chuckv Exp $, $Date: 2003-01-30 15:20:21 $, $Name: not supported by cvs2svn $, $Revision: 1.4 $ |
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!! @version $Id: mpiSimulation_module.F90,v 1.6 2003-01-30 22:29:58 chuckv Exp $, $Date: 2003-01-30 22:29:58 $, $Name: not supported by cvs2svn $, $Revision: 1.6 $ |
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module mpiSimulation |
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< |
#ifdef IS_MPI |
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> |
use definitions |
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use mpi |
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implicit none |
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PRIVATE |
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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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!! 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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!! Logical set true if mpiSimulation has been initialized |
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logical :: isSimSet = .false. |
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type (mpiComponentPlan) :: mpiSim |
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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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!! 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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!! copy c component plan to fortran |
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mpiSim = thisComponentPlan |
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write(*,*) "Seting up simParallel" |
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if (mpiSim%myNode == 0) then |
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write(*,*) "SetupSimParallel: writing component plan" |
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|
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write(*,*) "nMolGlobal: ", mpiSim%nMolGlobal |
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write(*,*) "nAtomsGlobal: ", mpiSim%nAtomsGlobal |
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write(*,*) "nBondGlobal: ", mpiSim%nBondsGlobal |
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write(*,*) "nTorsionsGlobal: ", mpiSim%nTorsionsGlobal |
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write(*,*) "nSRIGlobal: ", mpiSim%nSRIGlobal |
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write(*,*) "myMolStart: ", mpiSim%myMolStart |
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write(*,*) "myMolEnd: ", mpiSim%myMolEnd |
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write(*,*) "myMol: ", mpiSim%myMol |
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write(*,*) "myNlocal: ", mpiSim%myNlocal |
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write(*,*) "myNode: ", mpiSim%myNode |
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write(*,*) "numberProcessors: ", mpiSim%numberProcessors |
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write(*,*) "rowComm: ", mpiSim%rowComm |
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write(*,*) "columnComm: ", mpiSim%columnComm |
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write(*,*) "numberRows: ", mpiSim%numberRows |
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write(*,*) "numberColumns: ", mpiSim%numberColumns |
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write(*,*) "nComponentsRow: ", mpiSim%nComponentsRow |
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write(*,*) "nComponentsColumn: ", mpiSim%nComponentsColumn |
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write(*,*) "rowIndex: ", mpiSim%rowIndex |
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write(*,*) "columnIndex: ", mpiSim%columnIndex |
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endif |
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call make_Force_Grid(thisComponentPlan,localStatus) |
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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(thisComponentPlan,localStatus) |
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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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status = -1 |
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return |
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endif |
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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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call plan_gather_scatter(1,mpiSim%nComponentsRow,& |
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mpiSim,mpiSim%rowComm,plan_row) |
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call plan_gather_scatter(nDim,mpiSim%nComponentsRow,& |
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mpiSim,mpiSim%rowComm,plan_row3d) |
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call plan_gather_scatter(1,mpiSim%nComponentsColumn,& |
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mpiSim,mpiSim%columnComm,plan_col) |
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call plan_gather_scatter(nDim,mpiSim%nComponentsColumn,& |
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mpiSim,mpiSim%columnComm,plan_col3d) |
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! Initialize tags |
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call setTags(tags,localStatus) |
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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, intent(out) :: localStatus |
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integer :: localStatus |
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integer :: mpierror |
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status = 0 |
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call updateGridComponents(thisComponentPlan,localStatus) |
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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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thisComponentPlan,thisComponentPlan%rowComm,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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thisComponentPlan,thisComponentPlan%rowComm,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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thisComponentPlan,thisComponentPlan%columnComm,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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thisComponentPlan,thisComponentPlan%rowComm,plan_col3d) |
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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 :: nComponentsColumn = 0 |
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integer :: mpiErrors |
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status = 0 |
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nComponentsLocal = thisComponentPlan%myNlocal |
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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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mpi_sum,thisComponentPlan%rowComm,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_allreduce(nComponentsLocal,nComponentsColumn,1,mpi_integer, & |
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mpi_sum,thisComponentPlan%columnComm,mpiError) |
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mpi_sum,thisComponentPlan%columnComm,mpiErrors) |
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if (mpiErrors /= 0) then |
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status = -1 |
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return |
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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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nRows = nWorldProcessors/nColumns |
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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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> |
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> |
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> |
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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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columnIndex = mod(myWorldRank,nColumns) |
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< |
call mpi_comm_split(mpi_comm_world,columnIndex,0,columnCommunicator,mpiError) |
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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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write(default_error,*) "MPI comm split faild at columnCommunicator" |
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status = -1 |
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return |
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endif |
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!! WARNING this could be dangerous since thisComponentPlan was origionally |
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!! allocated in C++ and there is a significant difference between c and |
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!! f95 pointers.... |
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gsComponentPlan => thisComponetPlan |
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this_plan%gsComponentPlan => thisComponentPlan |
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! Set this plan size for displs array. |
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this_plan%gsPlanSize = nDim * nComponents |
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!! gather all the local sizes into a size # processors array. |
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call mpi_allgather(this_plan%gsPlanSize,1,mpi_integer,this_plan%counts, & |
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1,mpi_integer,comm,mpi_err) |
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> |
1,mpi_integer,thisComm,mpi_err) |
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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integer, dimension(:), intent(in) :: rbuffer |
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integer :: noffset |
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integer, intent(out), optional :: status |
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integer :: i |
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+ |
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if (present(status)) status = 0 |
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noffset = this_plan%displs(this_plan%myPlanRank) |
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endif |
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! allocate column arrays |
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< |
if (.not. allocated(tagCol)) then |
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> |
if (.not. allocated(tagColumn)) then |
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allocate(tagColumn(ncol),STAT=alloc_stat) |
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if (alloc_stat /= 0 ) then |
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status = -1 |
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< |
#endif |
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end module mpiSimulation |
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