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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 1.5 2003-01-30 20:03:37 chuckv Exp $, $Date: 2003-01-30 20:03:37 $, $Name: not supported by cvs2svn $, $Revision: 1.5 $ |
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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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!! 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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endif |
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componentPlanSet = .true. |
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call make_Force_Grid(thisComponentPlan,localStatus) |
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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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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(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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!! 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,thisComponentPlan%rowComm,plan_row) |
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call plan_gather_scatter(nDim,thisComponentPlan%nComponentsRow,& |
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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,thisComponentPlan%columnComm,plan_col) |
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call plan_gather_scatter(nDim,thisComponentPlan%nComponentsColumn,& |
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thisComponentPlan,thisComponentPlan%columnComm,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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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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if (present(status)) status = 0 |
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noffset = this_plan%displs(this_plan%myPlanRank) |
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