| 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++ |
| 7 |
|
!! |
| 8 |
|
!! @author Charles F. Vardeman II |
| 9 |
|
!! @author Matthew Meineke |
| 10 |
< |
!! @version $Id: mpiSimulation_module.F90,v 1.4 2003-04-01 16:50:14 chuckv Exp $, $Date: 2003-04-01 16:50:14 $, $Name: not supported by cvs2svn $, $Revision: 1.4 $ |
| 10 |
> |
!! @version $Id: mpiSimulation_module.F90,v 1.12 2004-05-07 21:35:04 gezelter Exp $, $Date: 2004-05-07 21:35:04 $, $Name: not supported by cvs2svn $, $Revision: 1.12 $ |
| 11 |
|
|
| 12 |
|
module mpiSimulation |
| 13 |
|
use definitions |
| 14 |
< |
use mpi |
| 14 |
> |
#ifdef IS_MPI |
| 15 |
> |
use oopseMPI |
| 16 |
|
implicit none |
| 17 |
|
PRIVATE |
| 18 |
|
|
| 25 |
|
public :: replanSimParallel |
| 26 |
|
public :: getNcol |
| 27 |
|
public :: getNrow |
| 28 |
+ |
public :: getNcolGroup |
| 29 |
+ |
public :: getNrowGroup |
| 30 |
|
public :: isMPISimSet |
| 31 |
|
public :: printComponentPlan |
| 32 |
|
public :: getMyNode |
| 34 |
|
!! PUBLIC Subroutines contained in MPI module |
| 35 |
|
public :: mpi_bcast |
| 36 |
|
public :: mpi_allreduce |
| 37 |
< |
public :: mpi_reduce |
| 37 |
> |
! public :: mpi_reduce |
| 38 |
|
public :: mpi_send |
| 39 |
|
public :: mpi_recv |
| 40 |
|
public :: mpi_get_processor_name |
| 50 |
|
public :: mpi_status_size |
| 51 |
|
public :: mpi_any_source |
| 52 |
|
|
| 53 |
+ |
|
| 54 |
+ |
|
| 55 |
|
!! Safety logical to prevent access to ComponetPlan until |
| 56 |
|
!! set by C++. |
| 57 |
< |
logical :: ComponentPlanSet = .false. |
| 57 |
> |
logical, save :: ComponentPlanSet = .false. |
| 58 |
|
|
| 59 |
|
|
| 60 |
|
!! generic mpi error declaration. |
| 61 |
< |
integer,public :: mpi_err |
| 61 |
> |
integer, public :: mpi_err |
| 62 |
|
|
| 63 |
< |
|
| 63 |
> |
#ifdef PROFILE |
| 64 |
> |
public :: printCommTime |
| 65 |
> |
public :: getCommTime |
| 66 |
> |
real,save :: commTime = 0.0 |
| 67 |
> |
real :: commTimeInitial,commTimeFinal |
| 68 |
> |
#endif |
| 69 |
|
|
| 70 |
|
!! Include mpiComponentPlan type. mpiComponentPlan is a |
| 71 |
|
!! dual header file for both c and fortran. |
| 73 |
|
#include "mpiComponentPlan.h" |
| 74 |
|
|
| 75 |
|
|
| 66 |
– |
|
| 76 |
|
!! Tags used during force loop for parallel simulation |
| 77 |
< |
integer, allocatable, dimension(:) :: tagLocal |
| 77 |
> |
integer, public, allocatable, dimension(:) :: tagLocal |
| 78 |
|
integer, public, allocatable, dimension(:) :: tagRow |
| 79 |
|
integer, public, allocatable, dimension(:) :: tagColumn |
| 80 |
|
|
| 81 |
|
!! Logical set true if mpiSimulation has been initialized |
| 82 |
< |
logical :: isSimSet = .false. |
| 82 |
> |
logical, save :: isSimSet = .false. |
| 83 |
|
|
| 84 |
|
|
| 85 |
< |
type (mpiComponentPlan) :: mpiSim |
| 85 |
> |
type (mpiComponentPlan), save :: mpiSim |
| 86 |
|
|
| 87 |
|
!! gs_plan contains plans for gather and scatter routines |
| 88 |
|
type, public :: gs_plan |
| 98 |
|
end type gs_plan |
| 99 |
|
|
| 100 |
|
! plans for different decompositions |
| 101 |
< |
type (gs_plan), public :: plan_row |
| 102 |
< |
type (gs_plan), public :: plan_row3d |
| 103 |
< |
type (gs_plan), public :: plan_col |
| 104 |
< |
type (gs_plan), public :: plan_col3d |
| 105 |
< |
type(gs_plan), public :: plan_row_Rotation |
| 106 |
< |
type(gs_plan), public :: plan_col_Rotation |
| 101 |
> |
type (gs_plan), public, save :: plan_row |
| 102 |
> |
type (gs_plan), public, save :: plan_row3d |
| 103 |
> |
type (gs_plan), public, save :: plan_col |
| 104 |
> |
type (gs_plan), public, save :: plan_col3d |
| 105 |
> |
type (gs_plan), public, save :: plan_row_Rotation |
| 106 |
> |
type (gs_plan), public, save :: plan_col_Rotation |
| 107 |
> |
type (gs_plan), public, save :: plan_row_Group |
| 108 |
> |
type (gs_plan), public, save :: plan_col_Group |
| 109 |
> |
type (gs_plan), public, save :: plan_row_Group_3d |
| 110 |
> |
type (gs_plan), public, save :: plan_col_Group_3d |
| 111 |
|
|
| 112 |
|
type (mpiComponentPlan), pointer :: simComponentPlan |
| 113 |
|
|
| 152 |
|
|
| 153 |
|
write(*,*) 'mpiSim_mod thinks node', thisComponentPlan%myNode, ' has tags(1) = ', tags(1) |
| 154 |
|
|
| 142 |
– |
|
| 143 |
– |
|
| 155 |
|
status = 0 |
| 156 |
|
if (componentPlanSet) then |
| 157 |
|
return |
| 184 |
|
mpiSim,mpiSim%rowComm,plan_row3d) |
| 185 |
|
call plan_gather_scatter(9,mpiSim%myNlocal,& |
| 186 |
|
mpiSim,mpiSim%rowComm,plan_row_Rotation) |
| 187 |
+ |
call plan_gather_scatter(1,mpiSim%myNgroup,& |
| 188 |
+ |
mpiSim,mpiSim%rowComm,plan_row_Group) |
| 189 |
+ |
call plan_gather_scatter(nDim,mpiSim%myNgroup,& |
| 190 |
+ |
mpiSim,mpiSim%rowComm,plan_row_Group_3d) |
| 191 |
+ |
|
| 192 |
|
call plan_gather_scatter(1,mpiSim%myNlocal,& |
| 193 |
|
mpiSim,mpiSim%columnComm,plan_col) |
| 194 |
|
call plan_gather_scatter(nDim,mpiSim%myNlocal,& |
| 195 |
|
mpiSim,mpiSim%columnComm,plan_col3d) |
| 196 |
< |
call plan_gather_scatter(9,mpiSim%myNlocal,& |
| 196 |
> |
call plan_gather_scatter(9,mpiSim%myNlocal,& |
| 197 |
|
mpiSim,mpiSim%columnComm,plan_col_Rotation) |
| 198 |
< |
|
| 199 |
< |
|
| 200 |
< |
|
| 198 |
> |
call plan_gather_scatter(1,mpiSim%myNgroup,& |
| 199 |
> |
mpiSim,mpiSim%columnComm,plan_col_Group) |
| 200 |
> |
call plan_gather_scatter(nDim,mpiSim%myNgroup,& |
| 201 |
> |
mpiSim,mpiSim%columnComm,plan_col_Group_3d) |
| 202 |
> |
|
| 203 |
|
! Initialize tags |
| 204 |
|
call setTags(tags,localStatus) |
| 205 |
|
if (localStatus /= 0) then |
| 230 |
|
call unplan_gather_scatter(plan_row) |
| 231 |
|
call unplan_gather_scatter(plan_row3d) |
| 232 |
|
call unplan_gather_scatter(plan_row_Rotation) |
| 233 |
+ |
call unplan_gather_scatter(plan_row_Group) |
| 234 |
+ |
call unplan_gather_scatter(plan_row_Group_3d) |
| 235 |
+ |
|
| 236 |
|
call unplan_gather_scatter(plan_col) |
| 237 |
|
call unplan_gather_scatter(plan_col3d) |
| 238 |
|
call unplan_gather_scatter(plan_col_Rotation) |
| 239 |
+ |
call unplan_gather_scatter(plan_col_Group) |
| 240 |
+ |
call unplan_gather_scatter(plan_col_Group_3d) |
| 241 |
|
|
| 242 |
|
!! initialize gather and scatter plans used in this simulation |
| 243 |
|
call plan_gather_scatter(1,thisComponentPlan%myNlocal,& |
| 246 |
|
thisComponentPlan,thisComponentPlan%rowComm,plan_row3d) |
| 247 |
|
call plan_gather_scatter(9,thisComponentPlan%myNlocal,& |
| 248 |
|
thisComponentPlan,thisComponentPlan%rowComm,plan_row_Rotation) |
| 249 |
+ |
call plan_gather_scatter(1,thisComponentPlan%myNgroup,& |
| 250 |
+ |
thisComponentPlan,thisComponentPlan%rowComm,plan_row_Group) |
| 251 |
+ |
call plan_gather_scatter(nDim,thisComponentPlan%myNgroup,& |
| 252 |
+ |
thisComponentPlan,thisComponentPlan%rowComm,plan_row_Group_3d) |
| 253 |
+ |
|
| 254 |
|
call plan_gather_scatter(1,thisComponentPlan%myNlocal,& |
| 255 |
|
thisComponentPlan,thisComponentPlan%columnComm,plan_col) |
| 256 |
|
call plan_gather_scatter(nDim,thisComponentPlan%myNlocal,& |
| 257 |
< |
thisComponentPlan,thisComponentPlan%rowComm,plan_col3d) |
| 257 |
> |
thisComponentPlan,thisComponentPlan%columnComm,plan_col3d) |
| 258 |
|
call plan_gather_scatter(9,thisComponentPlan%myNlocal,& |
| 259 |
< |
thisComponentPlan,thisComponentPlan%rowComm,plan_col_Rotation) |
| 259 |
> |
thisComponentPlan,thisComponentPlan%columnComm,plan_col_Rotation) |
| 260 |
> |
call plan_gather_scatter(1,thisComponentPlan%myNgroup,& |
| 261 |
> |
thisComponentPlan,thisComponentPlan%columnComm,plan_col_Group) |
| 262 |
> |
call plan_gather_scatter(nDim,thisComponentPlan%myNgroup,& |
| 263 |
> |
thisComponentPlan,thisComponentPlan%columnComm,plan_col_Group_3d) |
| 264 |
|
|
| 233 |
– |
|
| 234 |
– |
|
| 265 |
|
end subroutine replanSimParallel |
| 266 |
|
|
| 267 |
|
!! Updates number of row and column components for long range forces. |
| 493 |
|
|
| 494 |
|
subroutine gather_integer( sbuffer, rbuffer, this_plan, status) |
| 495 |
|
|
| 496 |
< |
type (gs_plan), intent(in) :: this_plan |
| 497 |
< |
integer, dimension(:), intent(in) :: sbuffer |
| 498 |
< |
integer, dimension(:), intent(in) :: rbuffer |
| 496 |
> |
type (gs_plan), intent(inout) :: this_plan |
| 497 |
> |
integer, dimension(:), intent(inout) :: sbuffer |
| 498 |
> |
integer, dimension(:), intent(inout) :: rbuffer |
| 499 |
|
integer :: noffset |
| 500 |
|
integer, intent(out), optional :: status |
| 501 |
|
integer :: i |
| 525 |
|
subroutine gather_double( sbuffer, rbuffer, this_plan, status) |
| 526 |
|
|
| 527 |
|
type (gs_plan), intent(in) :: this_plan |
| 528 |
< |
real( kind = DP ), dimension(:), intent(in) :: sbuffer |
| 529 |
< |
real( kind = DP ), dimension(:), intent(in) :: rbuffer |
| 528 |
> |
real( kind = DP ), dimension(:), intent(inout) :: sbuffer |
| 529 |
> |
real( kind = DP ), dimension(:), intent(inout) :: rbuffer |
| 530 |
|
integer :: noffset |
| 531 |
|
integer, intent(out), optional :: status |
| 532 |
|
|
| 533 |
|
|
| 534 |
|
if (present(status)) status = 0 |
| 535 |
|
noffset = this_plan%displs(this_plan%myPlanRank) |
| 536 |
< |
|
| 536 |
> |
#ifdef PROFILE |
| 537 |
> |
call cpu_time(commTimeInitial) |
| 538 |
> |
#endif |
| 539 |
|
call mpi_allgatherv(sbuffer,this_plan%gsPlanSize, mpi_double_precision, & |
| 540 |
|
rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, & |
| 541 |
|
this_plan%myPlanComm, mpi_err) |
| 542 |
+ |
#ifdef PROFILE |
| 543 |
+ |
call cpu_time(commTimeFinal) |
| 544 |
+ |
commTime = commTime + commTimeFinal - commTimeInitial |
| 545 |
+ |
#endif |
| 546 |
|
|
| 547 |
|
if (mpi_err /= 0) then |
| 548 |
|
if (present(status)) status = -1 |
| 553 |
|
subroutine gather_double_2d( sbuffer, rbuffer, this_plan, status) |
| 554 |
|
|
| 555 |
|
type (gs_plan), intent(in) :: this_plan |
| 556 |
< |
real( kind = DP ), dimension(:,:), intent(in) :: sbuffer |
| 557 |
< |
real( kind = DP ), dimension(:,:), intent(in) :: rbuffer |
| 556 |
> |
real( kind = DP ), dimension(:,:), intent(inout) :: sbuffer |
| 557 |
> |
real( kind = DP ), dimension(:,:), intent(inout) :: rbuffer |
| 558 |
|
integer :: noffset,i,ierror |
| 559 |
|
integer, intent(out), optional :: status |
| 560 |
|
|
| 563 |
|
if (present(status)) status = 0 |
| 564 |
|
|
| 565 |
|
! noffset = this_plan%displs(this_plan%me) |
| 566 |
< |
|
| 566 |
> |
#ifdef PROFILE |
| 567 |
> |
call cpu_time(commTimeInitial) |
| 568 |
> |
#endif |
| 569 |
> |
|
| 570 |
|
call mpi_allgatherv(sbuffer,this_plan%gsPlanSize, mpi_double_precision, & |
| 571 |
|
rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, & |
| 572 |
|
this_plan%myPlanComm, mpi_err) |
| 573 |
|
|
| 574 |
+ |
#ifdef PROFILE |
| 575 |
+ |
call cpu_time(commTimeFinal) |
| 576 |
+ |
commTime = commTime + commTimeFinal - commTimeInitial |
| 577 |
+ |
#endif |
| 578 |
+ |
|
| 579 |
|
if (mpi_err /= 0) then |
| 580 |
|
if (present(status)) status = -1 |
| 581 |
|
endif |
| 585 |
|
subroutine scatter_double( sbuffer, rbuffer, this_plan, status) |
| 586 |
|
|
| 587 |
|
type (gs_plan), intent(in) :: this_plan |
| 588 |
< |
real( kind = DP ), dimension(:), intent(in) :: sbuffer |
| 589 |
< |
real( kind = DP ), dimension(:), intent(in) :: rbuffer |
| 588 |
> |
real( kind = DP ), dimension(:), intent(inout) :: sbuffer |
| 589 |
> |
real( kind = DP ), dimension(:), intent(inout) :: rbuffer |
| 590 |
|
integer, intent(out), optional :: status |
| 591 |
|
external mpi_reduce_scatter |
| 592 |
|
|
| 593 |
|
if (present(status)) status = 0 |
| 594 |
|
|
| 595 |
+ |
#ifdef PROFILE |
| 596 |
+ |
call cpu_time(commTimeInitial) |
| 597 |
+ |
#endif |
| 598 |
|
call mpi_reduce_scatter(sbuffer,rbuffer, this_plan%counts, & |
| 599 |
|
mpi_double_precision, MPI_SUM, this_plan%myPlanComm, mpi_err) |
| 600 |
+ |
#ifdef PROFILE |
| 601 |
+ |
call cpu_time(commTimeFinal) |
| 602 |
+ |
commTime = commTime + commTimeFinal - commTimeInitial |
| 603 |
+ |
#endif |
| 604 |
|
|
| 605 |
|
if (mpi_err /= 0) then |
| 606 |
|
if (present(status)) status = -1 |
| 611 |
|
subroutine scatter_double_2d( sbuffer, rbuffer, this_plan, status) |
| 612 |
|
|
| 613 |
|
type (gs_plan), intent(in) :: this_plan |
| 614 |
< |
real( kind = DP ), dimension(:,:), intent(in) :: sbuffer |
| 615 |
< |
real( kind = DP ), dimension(:,:), intent(in) :: rbuffer |
| 614 |
> |
real( kind = DP ), dimension(:,:), intent(inout) :: sbuffer |
| 615 |
> |
real( kind = DP ), dimension(:,:), intent(inout) :: rbuffer |
| 616 |
|
integer, intent(out), optional :: status |
| 617 |
|
external mpi_reduce_scatter |
| 618 |
|
|
| 619 |
|
if (present(status)) status = 0 |
| 620 |
+ |
#ifdef PROFILE |
| 621 |
+ |
call cpu_time(commTimeInitial) |
| 622 |
+ |
#endif |
| 623 |
+ |
|
| 624 |
|
call mpi_reduce_scatter(sbuffer,rbuffer, this_plan%counts, & |
| 625 |
|
mpi_double_precision, MPI_SUM, this_plan%myPlanComm, mpi_err) |
| 626 |
+ |
#ifdef PROFILE |
| 627 |
+ |
call cpu_time(commTimeFinal) |
| 628 |
+ |
commTime = commTime + commTimeFinal - commTimeInitial |
| 629 |
+ |
#endif |
| 630 |
|
|
| 631 |
|
if (mpi_err /= 0) then |
| 632 |
|
if (present(status)) status = -1 |
| 648 |
|
! allocate row arrays |
| 649 |
|
nrow = getNrow(plan_row) |
| 650 |
|
ncol = getNcol(plan_col) |
| 651 |
+ |
|
| 652 |
+ |
if(.not. allocated(tagLocal)) then |
| 653 |
+ |
allocate(tagLocal(size(tags)),STAT=alloc_stat) |
| 654 |
+ |
if (alloc_stat /= 0 ) then |
| 655 |
+ |
status = -1 |
| 656 |
+ |
return |
| 657 |
+ |
endif |
| 658 |
+ |
else |
| 659 |
+ |
deallocate(tagLocal) |
| 660 |
+ |
allocate(tagLocal(size(tags)),STAT=alloc_stat) |
| 661 |
+ |
if (alloc_stat /= 0 ) then |
| 662 |
+ |
status = -1 |
| 663 |
+ |
return |
| 664 |
+ |
endif |
| 665 |
|
|
| 666 |
+ |
endif |
| 667 |
+ |
|
| 668 |
+ |
tagLocal = tags |
| 669 |
+ |
|
| 670 |
+ |
|
| 671 |
|
if (.not. allocated(tagRow)) then |
| 672 |
|
allocate(tagRow(nrow),STAT=alloc_stat) |
| 673 |
|
if (alloc_stat /= 0 ) then |
| 702 |
|
call gather(tags,tagRow,plan_row) |
| 703 |
|
call gather(tags,tagColumn,plan_col) |
| 704 |
|
|
| 705 |
+ |
|
| 706 |
|
end subroutine setTags |
| 707 |
|
|
| 708 |
< |
pure function getNcol(thisplan) result(ncol) |
| 708 |
> |
! pure function getNcol(thisplan) result(ncol) |
| 709 |
> |
function getNcol(thisplan) result(ncol) |
| 710 |
|
type (gs_plan), intent(in) :: thisplan |
| 711 |
|
integer :: ncol |
| 712 |
|
ncol = thisplan%gsComponentPlan%nComponentsColumn |
| 713 |
|
end function getNcol |
| 714 |
|
|
| 715 |
< |
pure function getNrow(thisplan) result(nrow) |
| 715 |
> |
! pure function getNrow(thisplan) result(nrow) |
| 716 |
> |
function getNrow(thisplan) result(nrow) |
| 717 |
|
type (gs_plan), intent(in) :: thisplan |
| 718 |
|
integer :: nrow |
| 719 |
|
nrow = thisplan%gsComponentPlan%nComponentsRow |
| 720 |
|
end function getNrow |
| 721 |
|
|
| 722 |
+ |
function getNcolGroup(thisplan) result(ncol_group) |
| 723 |
+ |
type (gs_plan), intent(in) :: thisplan |
| 724 |
+ |
integer :: ncol_group |
| 725 |
+ |
ncol_group = thisplan%gsComponentPlan%nGroupColumn |
| 726 |
+ |
end function getNcolGroup |
| 727 |
+ |
|
| 728 |
+ |
function getNrowGroup(thisplan) result(nrow_group) |
| 729 |
+ |
type (gs_plan), intent(in) :: thisplan |
| 730 |
+ |
integer :: nrow_group |
| 731 |
+ |
nrow_group = thisplan%gsComponentPlan%nGroupRow |
| 732 |
+ |
end function getNrowGroup |
| 733 |
+ |
|
| 734 |
|
function isMPISimSet() result(isthisSimSet) |
| 735 |
|
logical :: isthisSimSet |
| 736 |
|
if (isSimSet) then |
| 781 |
|
myNode = mpiSim%myNode |
| 782 |
|
end function getMyNode |
| 783 |
|
|
| 784 |
+ |
#ifdef PROFILE |
| 785 |
+ |
subroutine printCommTime() |
| 786 |
+ |
write(*,*) "MPI communication time is: ", commTime |
| 787 |
+ |
end subroutine printCommTime |
| 788 |
|
|
| 789 |
< |
end module mpiSimulation |
| 789 |
> |
function getCommTime() result(comm_time) |
| 790 |
> |
real :: comm_time |
| 791 |
> |
comm_time = commTime |
| 792 |
> |
end function getCommTime |
| 793 |
|
|
| 794 |
+ |
#endif |
| 795 |
+ |
|
| 796 |
|
#endif // is_mpi |
| 797 |
+ |
end module mpiSimulation |
| 798 |
+ |
|
| 799 |
+ |
|
