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Comparing trunk/mdtools/mpi_implementation/mpiSimulation_module.F90 (file contents):
Revision 253 by chuckv, Thu Jan 30 15:20:21 2003 UTC vs.
Revision 260 by chuckv, Fri Jan 31 21:04:27 2003 UTC

# Line 5 | Line 5
5   !!
6   !! @author Charles F. Vardeman II
7   !! @author Matthew Meineke
8 < !! @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 $
8 > !! @version $Id: mpiSimulation_module.F90,v 1.7 2003-01-31 21:04:27 chuckv Exp $, $Date: 2003-01-31 21:04:27 $, $Name: not supported by cvs2svn $, $Revision: 1.7 $
9  
10  
11  
12  
13   module mpiSimulation  
14 < #ifdef IS_MPI
14 >  use definitions
15    use mpi
16    implicit none
17    PRIVATE
# Line 26 | Line 26 | module mpiSimulation  
26    public :: getNcol
27    public :: getNrow
28    public :: isMPISimSet
29 +  public :: printComponentPlan
30 +  public :: getMyNode
31  
30 –
32   !! PUBLIC  Subroutines contained in MPI module
33    public :: mpi_bcast
34    public :: mpi_allreduce
# Line 55 | Line 56 | module mpiSimulation  
56   !! generic mpi error declaration.
57    integer,public  :: mpi_err
58  
59 +  
60  
59 –
61   !! Include mpiComponentPlan type. mpiComponentPlan is a
62   !! dual header file for both c and fortran.
63   #define __FORTRAN90
# Line 72 | Line 73 | module mpiSimulation  
73   !! Logical set true if mpiSimulation has been initialized
74    logical :: isSimSet = .false.
75  
76 +
77 +  type (mpiComponentPlan) :: mpiSim
78 +
79   !! gs_plan contains plans for gather and scatter routines
80    type, public :: gs_plan
81       private
# Line 131 | Line 135 | contains
135   !! Global reference tag for local particles
136      integer, dimension(ntags),intent(inout) :: tags
137  
138 +
139      status = 0
140      if (componentPlanSet) then
141         return
142      endif
138 –
143      componentPlanSet = .true.
144 +    
145 + !! copy c component plan to fortran  
146 +    mpiSim = thisComponentPlan
147 +    write(*,*) "Seting up simParallel"
148  
149 <    call make_Force_Grid(thisComponentPlan,localStatus)
149 >    call make_Force_Grid(mpiSim,localStatus)
150      if (localStatus /= 0) then
151 +       write(default_error,*) "Error creating force grid"
152         status = -1
153         return
154      endif
155  
156 <    call updateGridComponents(thisComponentPlan,localStatus)
156 >    call updateGridComponents(mpiSim,localStatus)
157      if (localStatus /= 0) then
158 +       write(default_error,*) "Error updating grid components"
159         status = -1
160         return
161      endif
162      
163 +
164      !! initialize gather and scatter plans used in this simulation
165 <    call plan_gather_scatter(1,thisComponentPlan%nComponentsRow,&
166 <         thisComponentPlan,row_comm,plan_row)
167 <    call plan_gather_scatter(nDim,thisComponentPlan%nComponentsRow,&
168 <         thisComponentPlan,row_comm,plan_row3d)
169 <    call plan_gather_scatter(1,thisComponentPlan%nComponentsColumn,&
170 <         thisComponentPlan,col_comm,plan_col)
171 <    call plan_gather_scatter(nDim,thisComponentPlan%nComponentsColumn,&
172 <         thisComponentPlan,col_comm,plan_col3d)
165 >    call plan_gather_scatter(1,mpiSim%myNlocal,&
166 >         mpiSim,mpiSim%rowComm,plan_row)
167 >    call plan_gather_scatter(nDim,mpiSim%myNlocal,&
168 >         mpiSim,mpiSim%rowComm,plan_row3d)
169 >    call plan_gather_scatter(1,mpiSim%myNlocal,&
170 >         mpiSim,mpiSim%columnComm,plan_col)
171 >    call plan_gather_scatter(nDim,mpiSim%myNlocal,&
172 >         mpiSim,mpiSim%columnComm,plan_col3d)
173  
174   !  Initialize tags    
175      call setTags(tags,localStatus)
# Line 167 | Line 178 | contains
178         return
179      endif
180      isSimSet = .true.
181 +
182 + !    call printComponentPlan(mpiSim,0)
183    end subroutine setupSimParallel
184  
185    subroutine replanSimParallel(thisComponentPlan,status)
# Line 174 | Line 187 | contains
187      !! mpiComponentPlan struct from C
188      type (mpiComponentPlan), intent(inout) :: thisComponentPlan  
189      integer, intent(out) :: status
190 <    integer, intent(out) :: localStatus
191 <
190 >    integer :: localStatus
191 >    integer :: mpierror
192      status = 0
193  
194      call updateGridComponents(thisComponentPlan,localStatus)
# Line 192 | Line 205 | contains
205  
206  
207      !! initialize gather and scatter plans used in this simulation
208 <    call plan_gather_scatter(1,thisComponentPlan%nComponentsRow,&
209 <         thisComponentPlan,row_comm,plan_row)
210 <    call plan_gather_scatter(nDim,thisComponentPlan%nComponentsRow,&
211 <         thisComponentPlan,row_comm,plan_row3d)
212 <    call plan_gather_scatter(1,thisComponentPlan%nComponentsColumn,&
213 <         thisComponentPlan,col_comm,plan_col)
214 <    call plan_gather_scatter(nDim,thisComponentPlan%nComponentsColumn,&
215 <         thisComponentPlan,col_comm,plan_col3d)
208 >    call plan_gather_scatter(1,thisComponentPlan%myNlocal,&
209 >         thisComponentPlan,thisComponentPlan%rowComm,plan_row)
210 >    call plan_gather_scatter(nDim,thisComponentPlan%myNlocal,&
211 >         thisComponentPlan,thisComponentPlan%rowComm,plan_row3d)
212 >    call plan_gather_scatter(1,thisComponentPlan%myNlocal,&
213 >         thisComponentPlan,thisComponentPlan%columnComm,plan_col)
214 >    call plan_gather_scatter(nDim,thisComponentPlan%myNlocal,&
215 >         thisComponentPlan,thisComponentPlan%rowComm,plan_col3d)
216  
217  
218  
# Line 215 | Line 228 | contains
228      integer, intent(out) :: status
229      integer :: nComponentsLocal
230      integer :: nComponentsRow = 0
231 <    integer :: nComponensColumn = 0
231 >    integer :: nComponentsColumn = 0
232      integer :: mpiErrors
233  
234      status = 0
# Line 229 | Line 242 | contains
242      nComponentsLocal = thisComponentPlan%myNlocal
243  
244      call mpi_allreduce(nComponentsLocal,nComponentsRow,1,mpi_integer,&
245 <         mpi_sum,thisComponentPlan%rowComm,mpiError)
245 >         mpi_sum,thisComponentPlan%rowComm,mpiErrors)
246      if (mpiErrors /= 0) then
247         status = -1
248         return
249      endif
250  
251      call mpi_allreduce(nComponentsLocal,nComponentsColumn,1,mpi_integer, &
252 <         mpi_sum,thisComponentPlan%columnComm,mpiError)    
252 >         mpi_sum,thisComponentPlan%columnComm,mpiErrors)    
253      if (mpiErrors /= 0) then
254         status = -1
255         return
# Line 269 | Line 282 | contains
282  
283      if (.not. ComponentPlanSet) return
284      status = 0
285 <
285 >  
286   !! We make a dangerous assumption here that if numberProcessors is
287   !! zero, then we need to get the information from MPI.
288      if (thisComponentPlan%numberProcessors == 0 ) then
# Line 301 | Line 314 | contains
314      nRows = nWorldProcessors/nColumns
315  
316      rowIndex = myWorldRank/nColumns
317 <    call mpi_comm_split(mpi_comm_world,rowIndex,0,rowCommunicator,mpiError)
317 >
318 >
319 >
320 >    call mpi_comm_split(mpi_comm_world,rowIndex,0,rowCommunicator,mpiErrors)
321      if ( mpiErrors /= 0 ) then
322 +       write(default_error,*) "MPI comm split failed at row communicator"
323         status = -1
324         return
325      endif
326  
327      columnIndex = mod(myWorldRank,nColumns)
328 <    call mpi_comm_split(mpi_comm_world,columnIndex,0,columnCommunicator,mpiError)
328 >    call mpi_comm_split(mpi_comm_world,columnIndex,0,columnCommunicator,mpiErrors)
329      if ( mpiErrors /= 0 ) then
330 +       write(default_error,*) "MPI comm split faild at columnCommunicator"
331         status = -1
332         return
333      endif
# Line 341 | Line 359 | contains
359      integer :: i,junk
360  
361      if (present(status)) status = 0
362 +    
363    
364  
365   !! Set gsComponetPlan pointer
# Line 348 | Line 367 | contains
367   !! WARNING this could be dangerous since thisComponentPlan was origionally
368   !! allocated in C++ and there is a significant difference between c and
369   !! f95 pointers....  
370 <    gsComponentPlan => thisComponetPlan
370 >    this_plan%gsComponentPlan => thisComponentPlan
371  
372   ! Set this plan size for displs array.
373      this_plan%gsPlanSize = nDim * nComponents
# Line 388 | Line 407 | contains
407  
408     !! gather all the local sizes into a size # processors array.
409      call mpi_allgather(this_plan%gsPlanSize,1,mpi_integer,this_plan%counts, &
410 <         1,mpi_integer,comm,mpi_err)
410 >         1,mpi_integer,thisComm,mpi_err)
411  
412      if (mpi_err /= 0) then
413         if (present(status)) status = -1
# Line 406 | Line 425 | contains
425         this_plan%displs(i) = this_plan%displs(i-1) + this_plan%counts(i-1)
426      end do
427  
428 +
429    end subroutine plan_gather_scatter
430  
431  
# Line 428 | Line 448 | contains
448      integer, dimension(:), intent(in) :: rbuffer
449      integer :: noffset
450      integer, intent(out), optional :: status
451 +    integer :: i
452  
453 +
454 +    
455      if (present(status)) status = 0
456      noffset = this_plan%displs(this_plan%myPlanRank)
457  
458 + !    if (getmyNode() == 1) then
459 + !       write(*,*) "Node 0 printing allgatherv vars"
460 + !       write(*,*) "Noffset: ", noffset
461 + !       write(*,*) "PlanSize: ", this_plan%gsPlanSize
462 + !       write(*,*) "PlanComm: ", this_plan%myPlanComm
463 + !    end if
464 +
465      call mpi_allgatherv(sbuffer,this_plan%gsPlanSize, mpi_integer, &
466           rbuffer,this_plan%counts,this_plan%displs,mpi_integer, &
467           this_plan%myPlanComm, mpi_err)
# Line 450 | Line 480 | contains
480      integer :: noffset
481      integer, intent(out), optional :: status
482  
483 +
484      if (present(status)) status = 0
485      noffset = this_plan%displs(this_plan%myPlanRank)
486  
# Line 555 | Line 586 | contains
586  
587      endif
588   ! allocate column arrays
589 <    if (.not. allocated(tagCol)) then
589 >    if (.not. allocated(tagColumn)) then
590         allocate(tagColumn(ncol),STAT=alloc_stat)
591         if (alloc_stat /= 0 ) then
592            status = -1
# Line 598 | Line 629 | contains
629    end function isMPISimSet
630    
631  
632 <  
633 < #endif
632 >
633 >  subroutine printComponentPlan(this_plan,printNode)
634 >
635 >    type (mpiComponentPlan), intent(in) :: this_plan
636 >    integer, optional :: printNode
637 >    logical :: print_me = .false.
638 >
639 >    if (present(printNode)) then
640 >       if (printNode == mpiSim%myNode) print_me = .true.
641 >    else
642 >       print_me = .true.
643 >    endif
644 >
645 >    if (print_me) then
646 >       write(default_error,*) "SetupSimParallel: writing component plan"
647 >      
648 >       write(default_error,*) "nMolGlobal: ", mpiSim%nMolGlobal
649 >       write(default_error,*) "nAtomsGlobal: ", mpiSim%nAtomsGlobal
650 >       write(default_error,*) "nBondGlobal: ", mpiSim%nBondsGlobal
651 >       write(default_error,*) "nTorsionsGlobal: ", mpiSim%nTorsionsGlobal
652 >       write(default_error,*) "nSRIGlobal: ", mpiSim%nSRIGlobal
653 >       write(default_error,*) "myMolStart: ", mpiSim%myMolStart
654 >       write(default_error,*) "myMolEnd: ", mpiSim%myMolEnd
655 >       write(default_error,*) "myMol: ", mpiSim%myMol
656 >       write(default_error,*) "myNlocal: ", mpiSim%myNlocal
657 >       write(default_error,*) "myNode: ", mpiSim%myNode
658 >       write(default_error,*) "numberProcessors: ", mpiSim%numberProcessors
659 >       write(default_error,*) "rowComm: ", mpiSim%rowComm
660 >       write(default_error,*) "columnComm: ", mpiSim%columnComm
661 >       write(default_error,*) "numberRows: ", mpiSim%numberRows
662 >       write(default_error,*) "numberColumns: ", mpiSim%numberColumns
663 >       write(default_error,*) "nComponentsRow: ", mpiSim%nComponentsRow
664 >       write(default_error,*) "nComponentsColumn: ", mpiSim%nComponentsColumn
665 >       write(default_error,*) "rowIndex: ", mpiSim%rowIndex
666 >       write(default_error,*) "columnIndex: ", mpiSim%columnIndex
667 >    endif
668 >  end subroutine printComponentPlan
669 >
670 >  function getMyNode() result(myNode)
671 >    integer :: myNode
672 >    myNode = mpiSim%myNode
673 >  end function getMyNode
674 >
675 >
676   end module mpiSimulation
677  

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