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root/group/trunk/OOPSE/libmdtools/mpiSimulation_module.F90
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branches/mmeineke/OOPSE/libmdtools/mpiSimulation_module.F90 (file contents), Revision 377 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
trunk/OOPSE/libmdtools/mpiSimulation_module.F90 (file contents), Revision 694 by chuckv, Wed Aug 13 21:20:20 2003 UTC

# Line 1 | Line 1
1 – #ifdef IS_MPI
1  
2 +
3   !! MPI support for long range forces using force decomposition
4   !! on a square grid of processors.
5   !! Corresponds to mpiSimunation.cpp for C++
# Line 7 | Line 7
7   !!
8   !! @author Charles F. Vardeman II
9   !! @author Matthew Meineke
10 < !! @version $Id: mpiSimulation_module.F90,v 1.1.1.1 2003-03-21 17:42:12 mmeineke Exp $, $Date: 2003-03-21 17:42:12 $, $Name: not supported by cvs2svn $, $Revision: 1.1.1.1 $
10 > !! @version $Id: mpiSimulation_module.F90,v 1.6 2003-08-13 21:20:20 chuckv Exp $, $Date: 2003-08-13 21:20:20 $, $Name: not supported by cvs2svn $, $Revision: 1.6 $
11  
12   module mpiSimulation  
13    use definitions
14 + #ifdef IS_MPI
15    use mpi
16    implicit none
17    PRIVATE
# Line 47 | Line 48 | module mpiSimulation  
48    public :: mpi_status_size
49    public :: mpi_any_source
50  
51 +
52 +
53   !! Safety logical to prevent access to ComponetPlan until
54   !! set by C++.
55    logical :: ComponentPlanSet = .false.
# Line 55 | Line 58 | module mpiSimulation  
58   !! generic mpi error declaration.
59    integer,public  :: mpi_err
60  
61 <  
61 > #ifdef PROFILE
62 >  public :: printCommTime
63  
64 +  real(kind = dp ) :: commTime = 0.0_dp
65 +  real(kind = dp ) :: commTimeInitial,commTimeFinal
66 + #endif
67 +
68   !! Include mpiComponentPlan type. mpiComponentPlan is a
69   !! dual header file for both c and fortran.
70   #define __FORTRAN90
# Line 137 | Line 145 | contains
145   !! Global reference tag for local particles
146      integer, dimension(ntags),intent(inout) :: tags
147  
148 +    write(*,*) 'mpiSim_mod thinks node', thisComponentPlan%myNode, ' has tags(1) = ', tags(1)
149  
150 +
151 +
152      status = 0
153      if (componentPlanSet) then
154         return
# Line 254 | Line 265 | contains
265      
266      nComponentsLocal = thisComponentPlan%myNlocal
267  
268 +    write(*,*) "UpdateGridComponents: myNlocal ", nComponentsLocal
269      call mpi_allreduce(nComponentsLocal,nComponentsRow,1,mpi_integer,&
270           mpi_sum,thisComponentPlan%rowComm,mpiErrors)
271      if (mpiErrors /= 0) then
# Line 270 | Line 282 | contains
282  
283      thisComponentPlan%nComponentsRow = nComponentsRow
284      thisComponentPlan%nComponentsColumn = nComponentsColumn
285 <
285 >    write(*,*) "UpdateGridComponents: myNRow ",&
286 >         thisComponentPlan%nComponentsRow
287 >    write(*,*) "UpdateGridComponents: myNColumn ",&
288 >         thisComponentPlan%nComponentsColumn
289  
290    end subroutine updateGridComponents
291  
# Line 496 | Line 511 | contains
511  
512      if (present(status)) status = 0
513      noffset = this_plan%displs(this_plan%myPlanRank)
514 <
514 > #ifdef PROFILE
515 >    commTimeInitial = mpi_wtime()
516 > #endif
517      call mpi_allgatherv(sbuffer,this_plan%gsPlanSize, mpi_double_precision, &
518           rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, &
519           this_plan%myPlanComm, mpi_err)
520 + #ifdef PROFILE
521 +    commTimeFinal = mpi_wtime()
522 +    commTime = commTime + commTimeFinal - commTimeInitial
523 + #endif
524  
525      if (mpi_err /= 0) then
526        if (present(status)) status  = -1
# Line 520 | Line 541 | contains
541     if (present(status)) status = 0
542  
543   !    noffset = this_plan%displs(this_plan%me)
544 <    
544 > #ifdef PROFILE
545 >   commTimeInitial = mpi_wtime()
546 > #endif
547 >
548      call mpi_allgatherv(sbuffer,this_plan%gsPlanSize, mpi_double_precision, &
549          rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, &
550          this_plan%myPlanComm, mpi_err)
551  
552 + #ifdef PROFILE
553 +    commTimeFinal = mpi_wtime()
554 +    commTime = commTime + commTimeFinal - commTimeInitial
555 + #endif
556 +
557      if (mpi_err /= 0) then
558        if (present(status)) status = -1
559      endif
# Line 541 | Line 570 | contains
570  
571     if (present(status)) status = 0
572  
573 + #ifdef PROFILE
574 +   commTimeInitial = mpi_wtime()
575 + #endif
576      call mpi_reduce_scatter(sbuffer,rbuffer, this_plan%counts, &
577           mpi_double_precision, MPI_SUM, this_plan%myPlanComm, mpi_err)
578 + #ifdef PROFILE
579 +    commTimeFinal = mpi_wtime()
580 +    commTime = commTime + commTimeFinal - commTimeInitial
581 + #endif
582  
583      if (mpi_err /= 0) then
584       if (present(status))  status = -1
# Line 559 | Line 595 | contains
595      external mpi_reduce_scatter
596  
597     if (present(status)) status = 0
598 + #ifdef PROFILE
599 +   commTimeInitial = mpi_wtime()
600 + #endif
601 +
602      call mpi_reduce_scatter(sbuffer,rbuffer, this_plan%counts, &
603           mpi_double_precision, MPI_SUM, this_plan%myPlanComm, mpi_err)
604 + #ifdef PROFILE
605 +    commTimeFinal = mpi_wtime()
606 +    commTime = commTime + commTimeFinal - commTimeInitial
607 + #endif
608  
609      if (mpi_err /= 0) then
610        if (present(status)) status = -1
# Line 625 | Line 669 | contains
669      ncol = thisplan%gsComponentPlan%nComponentsColumn
670    end function getNcol
671  
672 <  pure function getNrow(thisplan) result(ncol)
672 >  pure function getNrow(thisplan) result(nrow)
673      type (gs_plan), intent(in) :: thisplan
674 <    integer :: ncol
675 <    ncol = thisplan%gsComponentPlan%nComponentsrow
674 >    integer :: nrow
675 >    nrow = thisplan%gsComponentPlan%nComponentsRow
676    end function getNrow
677  
678    function isMPISimSet() result(isthisSimSet)
# Line 662 | Line 706 | contains
706         write(default_error,*) "nBondGlobal: ", mpiSim%nBondsGlobal
707         write(default_error,*) "nTorsionsGlobal: ", mpiSim%nTorsionsGlobal
708         write(default_error,*) "nSRIGlobal: ", mpiSim%nSRIGlobal
665 –       write(default_error,*) "myMolStart: ", mpiSim%myMolStart
666 –       write(default_error,*) "myMolEnd: ", mpiSim%myMolEnd
667 –       write(default_error,*) "myMol: ", mpiSim%myMol
709         write(default_error,*) "myNlocal: ", mpiSim%myNlocal
710         write(default_error,*) "myNode: ", mpiSim%myNode
711         write(default_error,*) "numberProcessors: ", mpiSim%numberProcessors
# Line 684 | Line 725 | contains
725      myNode = mpiSim%myNode
726    end function getMyNode
727  
728 + #ifdef PROFILE
729 +  subroutine printCommTime()
730  
731 < end module mpiSimulation
731 >    write(*,*) "MPI communication time is: ", commTime
732  
733 +  end subroutine printCommTime
734 + #endif
735 +
736   #endif // is_mpi
737 + end module mpiSimulation
738 +
739 +

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