| 5 |
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!! |
| 6 |
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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 1.1 2002-12-19 21:59:51 chuckv Exp $, $Date: 2002-12-19 21:59:51 $, $Name: not supported by cvs2svn $, $Revision: 1.1 $ |
| 8 |
> |
!! @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 |
| 14 |
< |
#ifdef MPI |
| 14 |
> |
use definitions |
| 15 |
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use mpi |
| 16 |
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implicit none |
| 17 |
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PRIVATE |
| 23 |
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public :: gather, scatter |
| 24 |
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public :: setupSimParallel |
| 25 |
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public :: replanSimParallel |
| 26 |
+ |
public :: getNcol |
| 27 |
+ |
public :: getNrow |
| 28 |
+ |
public :: isMPISimSet |
| 29 |
+ |
|
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+ |
|
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!! PUBLIC Subroutines contained in MPI module |
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public :: mpi_bcast |
| 33 |
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public :: mpi_allreduce |
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!! generic mpi error declaration. |
| 56 |
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integer,public :: mpi_err |
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|
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+ |
|
| 59 |
+ |
|
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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 |
| 63 |
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#include "mpiComponentPlan.h" |
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|
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+ |
|
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+ |
|
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+ |
!! Tags used during force loop for parallel simulation |
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+ |
integer, allocatable, dimension(:) :: tagLocal |
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+ |
integer, public, allocatable, dimension(:) :: tagRow |
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+ |
integer ,public, allocatable, dimension(:) :: tagColumn |
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+ |
|
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+ |
!! Logical set true if mpiSimulation has been initialized |
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+ |
logical :: isSimSet = .false. |
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+ |
|
| 75 |
+ |
|
| 76 |
+ |
type (mpiComponentPlan) :: mpiSim |
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+ |
|
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!! gs_plan contains plans for gather and scatter routines |
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type, public :: gs_plan |
| 80 |
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private |
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end interface |
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+ |
|
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contains |
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!! Sets up mpiComponentPlan with structure passed from C++. |
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< |
subroutine setupSimParallel(thisComponentPlan,status) |
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> |
subroutine setupSimParallel(thisComponentPlan,ntags,tags,status) |
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! Passed Arguments |
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! integer, intent(inout) :: nDim !! Number of dimensions |
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!! mpiComponentPlan struct from C |
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< |
type (mpiComponentPlan), intent(inout) :: thisComponentPlan |
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> |
type (mpiComponentPlan), intent(inout) :: thisComponentPlan |
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> |
!! Number of tags passed, nlocal |
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> |
integer, intent(in) :: ntags |
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> |
!! Result status, 0 = normal, -1 = error |
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integer, intent(out) :: status |
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< |
integer, intnet(out) :: localStatus |
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> |
integer :: localStatus |
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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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+ |
|
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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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+ |
|
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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 |
| 155 |
+ |
write(*,*) "myMolStart: ", mpiSim%myMolStart |
| 156 |
+ |
write(*,*) "myMolEnd: ", mpiSim%myMolEnd |
| 157 |
+ |
write(*,*) "myMol: ", mpiSim%myMol |
| 158 |
+ |
write(*,*) "myNlocal: ", mpiSim%myNlocal |
| 159 |
+ |
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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|
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< |
call make_Force_Grid(thisComponentPlan,localStatus) |
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> |
|
| 172 |
> |
call make_Force_Grid(mpiSim,localStatus) |
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if (localStatus /= 0) then |
| 174 |
+ |
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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|
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< |
call updateGridComponents(thisComponentPlan,localStatus) |
| 179 |
> |
call updateGridComponents(mpiSim,localStatus) |
| 180 |
|
if (localStatus /= 0) then |
| 181 |
+ |
write(default_error,*) "Error updating grid components" |
| 182 |
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status = -1 |
| 183 |
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return |
| 184 |
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endif |
| 185 |
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|
| 186 |
+ |
|
| 187 |
|
!! initialize gather and scatter plans used in this simulation |
| 188 |
< |
call plan_gather_scatter(1,thisComponentPlan%nComponentsRow,& |
| 189 |
< |
thisComponentPlan,row_comm,plan_row) |
| 190 |
< |
call plan_gather_scatter(nDim,thisComponentPlan%nComponentsRow,& |
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< |
thisComponentPlan,row_comm,plan_row3d) |
| 192 |
< |
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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|
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< |
|
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< |
|
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> |
! Initialize tags |
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> |
call setTags(tags,localStatus) |
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> |
if (localStatus /= 0) then |
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> |
status = -1 |
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> |
return |
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> |
endif |
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> |
isSimSet = .true. |
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|
end subroutine setupSimParallel |
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|
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subroutine replanSimParallel(thisComponentPlan,status) |
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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, intnet(out) :: localStatus |
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< |
|
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> |
integer :: localStatus |
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> |
integer :: mpierror |
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|
status = 0 |
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|
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|
call updateGridComponents(thisComponentPlan,localStatus) |
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|
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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) |
| 235 |
|
call plan_gather_scatter(nDim,thisComponentPlan%nComponentsColumn,& |
| 236 |
< |
thisComponentPlan,col_comm,plan_col3d) |
| 236 |
> |
thisComponentPlan,thisComponentPlan%rowComm,plan_col3d) |
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|
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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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|
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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 |
| 268 |
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status = -1 |
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return |
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endif |
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|
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|
call mpi_allreduce(nComponentsLocal,nComponentsColumn,1,mpi_integer, & |
| 273 |
< |
mpi_sum,thisComponentPlan%columnComm,mpiError) |
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> |
mpi_sum,thisComponentPlan%columnComm,mpiErrors) |
| 274 |
|
if (mpiErrors /= 0) then |
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|
status = -1 |
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|
return |
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|
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|
if (.not. ComponentPlanSet) return |
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|
status = 0 |
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< |
|
| 306 |
> |
|
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!! We make a dangerous assumption here that if numberProcessors is |
| 308 |
|
!! zero, then we need to get the information from MPI. |
| 309 |
|
if (thisComponentPlan%numberProcessors == 0 ) then |
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|
| 321 |
|
else |
| 322 |
|
nWorldProcessors = thisComponentPlan%numberProcessors |
| 323 |
< |
myWorldRank = thisComponentPlan%myRank |
| 323 |
> |
myWorldRank = thisComponentPlan%myNode |
| 324 |
|
endif |
| 325 |
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|
| 326 |
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|
nRows = nWorldProcessors/nColumns |
| 336 |
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|
| 337 |
|
rowIndex = myWorldRank/nColumns |
| 338 |
< |
call mpi_comm_split(mpi_comm_world,rowIndex,0,rowCommunicator,mpiError) |
| 338 |
> |
|
| 339 |
> |
|
| 340 |
> |
|
| 341 |
> |
call mpi_comm_split(mpi_comm_world,rowIndex,0,rowCommunicator,mpiErrors) |
| 342 |
|
if ( mpiErrors /= 0 ) then |
| 343 |
+ |
write(default_error,*) "MPI comm split failed at row communicator" |
| 344 |
|
status = -1 |
| 345 |
|
return |
| 346 |
|
endif |
| 347 |
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|
| 348 |
|
columnIndex = mod(myWorldRank,nColumns) |
| 349 |
< |
call mpi_comm_split(mpi_comm_world,columnIndex,0,columnCommunicator,mpiError) |
| 349 |
> |
call mpi_comm_split(mpi_comm_world,columnIndex,0,columnCommunicator,mpiErrors) |
| 350 |
|
if ( mpiErrors /= 0 ) then |
| 351 |
+ |
write(default_error,*) "MPI comm split faild at columnCommunicator" |
| 352 |
|
status = -1 |
| 353 |
|
return |
| 354 |
|
endif |
| 387 |
|
!! WARNING this could be dangerous since thisComponentPlan was origionally |
| 388 |
|
!! allocated in C++ and there is a significant difference between c and |
| 389 |
|
!! f95 pointers.... |
| 390 |
< |
gsComponentPlan => thisComponetPlan |
| 390 |
> |
this_plan%gsComponentPlan => thisComponentPlan |
| 391 |
|
|
| 392 |
|
! Set this plan size for displs array. |
| 393 |
|
this_plan%gsPlanSize = nDim * nComponents |
| 426 |
|
end if |
| 427 |
|
|
| 428 |
|
!! gather all the local sizes into a size # processors array. |
| 429 |
< |
call mpi_allgather(gs_plan%gsPlanSize,1,mpi_integer,this_plan%counts, & |
| 430 |
< |
1,mpi_integer,comm,mpi_err) |
| 429 |
> |
call mpi_allgather(this_plan%gsPlanSize,1,mpi_integer,this_plan%counts, & |
| 430 |
> |
1,mpi_integer,thisComm,mpi_err) |
| 431 |
|
|
| 432 |
|
if (mpi_err /= 0) then |
| 433 |
|
if (present(status)) status = -1 |
| 453 |
|
|
| 454 |
|
|
| 455 |
|
this_plan%gsComponentPlan => null() |
| 456 |
< |
call mpi_comm_free(this_plan%comm,mpi_err) |
| 456 |
> |
call mpi_comm_free(this_plan%myPlanComm,mpi_err) |
| 457 |
|
|
| 458 |
|
deallocate(this_plan%counts) |
| 459 |
|
deallocate(this_plan%displs) |
| 467 |
|
integer, dimension(:), intent(in) :: rbuffer |
| 468 |
|
integer :: noffset |
| 469 |
|
integer, intent(out), optional :: status |
| 470 |
+ |
integer :: i |
| 471 |
|
|
| 472 |
+ |
|
| 473 |
|
if (present(status)) status = 0 |
| 474 |
|
noffset = this_plan%displs(this_plan%myPlanRank) |
| 475 |
|
|
| 492 |
|
integer, intent(out), optional :: status |
| 493 |
|
|
| 494 |
|
if (present(status)) status = 0 |
| 495 |
< |
noffset = this_plan%displs(this_plan%me) |
| 495 |
> |
noffset = this_plan%displs(this_plan%myPlanRank) |
| 496 |
|
|
| 497 |
|
call mpi_allgatherv(sbuffer,this_plan%gsPlanSize, mpi_double_precision, & |
| 498 |
|
rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, & |
| 564 |
|
endif |
| 565 |
|
|
| 566 |
|
end subroutine scatter_double_2d |
| 567 |
+ |
|
| 568 |
+ |
|
| 569 |
+ |
subroutine setTags(tags,status) |
| 570 |
+ |
integer, dimension(:) :: tags |
| 571 |
+ |
integer :: status |
| 572 |
+ |
|
| 573 |
+ |
integer :: alloc_stat |
| 574 |
+ |
|
| 575 |
+ |
integer :: ncol |
| 576 |
+ |
integer :: nrow |
| 577 |
+ |
|
| 578 |
+ |
status = 0 |
| 579 |
+ |
! allocate row arrays |
| 580 |
+ |
nrow = getNrow(plan_row) |
| 581 |
+ |
ncol = getNcol(plan_col) |
| 582 |
+ |
|
| 583 |
+ |
if (.not. allocated(tagRow)) then |
| 584 |
+ |
allocate(tagRow(nrow),STAT=alloc_stat) |
| 585 |
+ |
if (alloc_stat /= 0 ) then |
| 586 |
+ |
status = -1 |
| 587 |
+ |
return |
| 588 |
+ |
endif |
| 589 |
+ |
else |
| 590 |
+ |
deallocate(tagRow) |
| 591 |
+ |
allocate(tagRow(nrow),STAT=alloc_stat) |
| 592 |
+ |
if (alloc_stat /= 0 ) then |
| 593 |
+ |
status = -1 |
| 594 |
+ |
return |
| 595 |
+ |
endif |
| 596 |
|
|
| 597 |
+ |
endif |
| 598 |
+ |
! allocate column arrays |
| 599 |
+ |
if (.not. allocated(tagColumn)) then |
| 600 |
+ |
allocate(tagColumn(ncol),STAT=alloc_stat) |
| 601 |
+ |
if (alloc_stat /= 0 ) then |
| 602 |
+ |
status = -1 |
| 603 |
+ |
return |
| 604 |
+ |
endif |
| 605 |
+ |
else |
| 606 |
+ |
deallocate(tagColumn) |
| 607 |
+ |
allocate(tagColumn(ncol),STAT=alloc_stat) |
| 608 |
+ |
if (alloc_stat /= 0 ) then |
| 609 |
+ |
status = -1 |
| 610 |
+ |
return |
| 611 |
+ |
endif |
| 612 |
+ |
endif |
| 613 |
+ |
|
| 614 |
+ |
call gather(tags,tagRow,plan_row) |
| 615 |
+ |
call gather(tags,tagColumn,plan_col) |
| 616 |
+ |
|
| 617 |
+ |
|
| 618 |
+ |
end subroutine setTags |
| 619 |
+ |
|
| 620 |
+ |
pure function getNcol(thisplan) result(ncol) |
| 621 |
+ |
type (gs_plan), intent(in) :: thisplan |
| 622 |
+ |
integer :: ncol |
| 623 |
+ |
ncol = thisplan%gsComponentPlan%nComponentsColumn |
| 624 |
+ |
end function getNcol |
| 625 |
+ |
|
| 626 |
+ |
pure function getNrow(thisplan) result(ncol) |
| 627 |
+ |
type (gs_plan), intent(in) :: thisplan |
| 628 |
+ |
integer :: ncol |
| 629 |
+ |
ncol = thisplan%gsComponentPlan%nComponentsrow |
| 630 |
+ |
end function getNrow |
| 631 |
+ |
|
| 632 |
+ |
function isMPISimSet() result(isthisSimSet) |
| 633 |
+ |
logical :: isthisSimSet |
| 634 |
+ |
if (isSimSet) then |
| 635 |
+ |
isthisSimSet = .true. |
| 636 |
+ |
else |
| 637 |
+ |
isthisSimSet = .false. |
| 638 |
+ |
endif |
| 639 |
+ |
end function isMPISimSet |
| 640 |
|
|
| 641 |
< |
#endif |
| 641 |
> |
|
| 642 |
> |
|
| 643 |
> |
|
| 644 |
|
end module mpiSimulation |
| 645 |
|
|
