| 5 |
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!! |
| 6 |
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!! @author Charles F. Vardeman II |
| 7 |
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!! @author Matthew Meineke |
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< |
!! @version $Id: mpiSimulation_module.F90,v 1.2 2003-01-09 19:40:38 chuckv Exp $, $Date: 2003-01-09 19:40:38 $, $Name: not supported by cvs2svn $, $Revision: 1.2 $ |
| 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 $ |
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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 |
| 25 |
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public :: replanSimParallel |
| 26 |
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public :: getNcol |
| 27 |
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public :: getNrow |
| 28 |
+ |
public :: isMPISimSet |
| 29 |
+ |
public :: printComponentPlan |
| 30 |
+ |
public :: getMyNode |
| 31 |
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|
| 29 |
– |
|
| 32 |
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!! PUBLIC Subroutines contained in MPI module |
| 33 |
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public :: mpi_bcast |
| 34 |
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public :: mpi_allreduce |
| 56 |
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!! generic mpi error declaration. |
| 57 |
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integer,public :: mpi_err |
| 58 |
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|
| 59 |
+ |
|
| 60 |
+ |
|
| 61 |
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!! Include mpiComponentPlan type. mpiComponentPlan is a |
| 62 |
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!! dual header file for both c and fortran. |
| 63 |
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#define __FORTRAN90 |
| 64 |
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#include "mpiComponentPlan.h" |
| 65 |
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|
| 66 |
+ |
|
| 67 |
+ |
|
| 68 |
+ |
!! Tags used during force loop for parallel simulation |
| 69 |
+ |
integer, allocatable, dimension(:) :: tagLocal |
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+ |
integer, public, allocatable, dimension(:) :: tagRow |
| 71 |
+ |
integer ,public, allocatable, dimension(:) :: tagColumn |
| 72 |
+ |
|
| 73 |
+ |
!! Logical set true if mpiSimulation has been initialized |
| 74 |
+ |
logical :: isSimSet = .false. |
| 75 |
+ |
|
| 76 |
+ |
|
| 77 |
+ |
type (mpiComponentPlan) :: mpiSim |
| 78 |
+ |
|
| 79 |
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!! gs_plan contains plans for gather and scatter routines |
| 80 |
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type, public :: gs_plan |
| 81 |
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private |
| 118 |
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end interface |
| 119 |
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|
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| 121 |
+ |
|
| 122 |
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contains |
| 123 |
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|
| 124 |
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!! Sets up mpiComponentPlan with structure passed from C++. |
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< |
subroutine setupSimParallel(thisComponentPlan,status) |
| 125 |
> |
subroutine setupSimParallel(thisComponentPlan,ntags,tags,status) |
| 126 |
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! Passed Arguments |
| 127 |
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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 |
| 129 |
> |
type (mpiComponentPlan), intent(inout) :: thisComponentPlan |
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> |
!! Number of tags passed, nlocal |
| 131 |
> |
integer, intent(in) :: ntags |
| 132 |
> |
!! Result status, 0 = normal, -1 = error |
| 133 |
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integer, intent(out) :: status |
| 134 |
< |
integer, intnet(out) :: localStatus |
| 134 |
> |
integer :: localStatus |
| 135 |
> |
!! Global reference tag for local particles |
| 136 |
> |
integer, dimension(ntags),intent(inout) :: tags |
| 137 |
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|
| 138 |
+ |
|
| 139 |
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status = 0 |
| 140 |
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if (componentPlanSet) then |
| 141 |
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return |
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endif |
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– |
|
| 143 |
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componentPlanSet = .true. |
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+ |
|
| 145 |
+ |
!! copy c component plan to fortran |
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+ |
mpiSim = thisComponentPlan |
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+ |
write(*,*) "Seting up simParallel" |
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|
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< |
call make_Force_Grid(thisComponentPlan,localStatus) |
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> |
call make_Force_Grid(mpiSim,localStatus) |
| 150 |
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if (localStatus /= 0) then |
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+ |
write(default_error,*) "Error creating force grid" |
| 152 |
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status = -1 |
| 153 |
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return |
| 154 |
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endif |
| 155 |
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|
| 156 |
< |
call updateGridComponents(thisComponentPlan,localStatus) |
| 156 |
> |
call updateGridComponents(mpiSim,localStatus) |
| 157 |
|
if (localStatus /= 0) then |
| 158 |
+ |
write(default_error,*) "Error updating grid components" |
| 159 |
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status = -1 |
| 160 |
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return |
| 161 |
|
endif |
| 162 |
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|
| 134 |
– |
!! initialize gather and scatter plans used in this simulation |
| 135 |
– |
call plan_gather_scatter(1,thisComponentPlan%nComponentsRow,& |
| 136 |
– |
thisComponentPlan,row_comm,plan_row) |
| 137 |
– |
call plan_gather_scatter(nDim,thisComponentPlan%nComponentsRow,& |
| 138 |
– |
thisComponentPlan,row_comm,plan_row3d) |
| 139 |
– |
call plan_gather_scatter(1,thisComponentPlan%nComponentsColumn,& |
| 140 |
– |
thisComponentPlan,col_comm,plan_col) |
| 141 |
– |
call plan_gather_scatter(nDim,thisComponentPlan%nComponentsColumn,& |
| 142 |
– |
thisComponentPlan,col_comm,plan_col3d) |
| 163 |
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|
| 164 |
+ |
!! initialize gather and scatter plans used in this simulation |
| 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 |
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|
| 174 |
+ |
! Initialize tags |
| 175 |
+ |
call setTags(tags,localStatus) |
| 176 |
+ |
if (localStatus /= 0) then |
| 177 |
+ |
status = -1 |
| 178 |
+ |
return |
| 179 |
+ |
endif |
| 180 |
+ |
isSimSet = .true. |
| 181 |
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|
| 182 |
+ |
! call printComponentPlan(mpiSim,0) |
| 183 |
|
end subroutine setupSimParallel |
| 184 |
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|
| 185 |
|
subroutine replanSimParallel(thisComponentPlan,status) |
| 187 |
|
!! mpiComponentPlan struct from C |
| 188 |
|
type (mpiComponentPlan), intent(inout) :: thisComponentPlan |
| 189 |
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integer, intent(out) :: status |
| 190 |
< |
integer, intnet(out) :: localStatus |
| 191 |
< |
|
| 190 |
> |
integer :: localStatus |
| 191 |
> |
integer :: mpierror |
| 192 |
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status = 0 |
| 193 |
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|
| 194 |
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call updateGridComponents(thisComponentPlan,localStatus) |
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|
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|
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!! 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 |
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|
| 217 |
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|
| 218 |
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|
| 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 |
| 242 |
|
nComponentsLocal = thisComponentPlan%myNlocal |
| 243 |
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|
| 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 |
| 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 |
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|
| 300 |
|
else |
| 301 |
|
nWorldProcessors = thisComponentPlan%numberProcessors |
| 302 |
< |
myWorldRank = thisComponentPlan%myRank |
| 302 |
> |
myWorldRank = thisComponentPlan%myNode |
| 303 |
|
endif |
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|
| 305 |
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|
| 314 |
|
nRows = nWorldProcessors/nColumns |
| 315 |
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|
| 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 |
| 359 |
|
integer :: i,junk |
| 360 |
|
|
| 361 |
|
if (present(status)) status = 0 |
| 362 |
+ |
|
| 363 |
|
|
| 364 |
|
|
| 365 |
|
!! Set gsComponetPlan pointer |
| 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 |
| 406 |
|
end if |
| 407 |
|
|
| 408 |
|
!! gather all the local sizes into a size # processors array. |
| 409 |
< |
call mpi_allgather(gs_plan%gsPlanSize,1,mpi_integer,this_plan%counts, & |
| 410 |
< |
1,mpi_integer,comm,mpi_err) |
| 409 |
> |
call mpi_allgather(this_plan%gsPlanSize,1,mpi_integer,this_plan%counts, & |
| 410 |
> |
1,mpi_integer,thisComm,mpi_err) |
| 411 |
|
|
| 412 |
|
if (mpi_err /= 0) then |
| 413 |
|
if (present(status)) status = -1 |
| 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 |
|
|
| 434 |
|
|
| 435 |
|
|
| 436 |
|
this_plan%gsComponentPlan => null() |
| 437 |
< |
call mpi_comm_free(this_plan%comm,mpi_err) |
| 437 |
> |
call mpi_comm_free(this_plan%myPlanComm,mpi_err) |
| 438 |
|
|
| 439 |
|
deallocate(this_plan%counts) |
| 440 |
|
deallocate(this_plan%displs) |
| 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, & |
| 480 |
|
integer :: noffset |
| 481 |
|
integer, intent(out), optional :: status |
| 482 |
|
|
| 483 |
+ |
|
| 484 |
|
if (present(status)) status = 0 |
| 485 |
< |
noffset = this_plan%displs(this_plan%me) |
| 485 |
> |
noffset = this_plan%displs(this_plan%myPlanRank) |
| 486 |
|
|
| 487 |
|
call mpi_allgatherv(sbuffer,this_plan%gsPlanSize, mpi_double_precision, & |
| 488 |
|
rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, & |
| 556 |
|
end subroutine scatter_double_2d |
| 557 |
|
|
| 558 |
|
|
| 559 |
< |
function getNcol(thisplan) result(ncol) |
| 560 |
< |
type (gsPlan) :: thisplan |
| 559 |
> |
subroutine setTags(tags,status) |
| 560 |
> |
integer, dimension(:) :: tags |
| 561 |
> |
integer :: status |
| 562 |
> |
|
| 563 |
> |
integer :: alloc_stat |
| 564 |
> |
|
| 565 |
|
integer :: ncol |
| 566 |
< |
ncol = thisplan%gsComponentPlan%nComponentsCol |
| 566 |
> |
integer :: nrow |
| 567 |
> |
|
| 568 |
> |
status = 0 |
| 569 |
> |
! allocate row arrays |
| 570 |
> |
nrow = getNrow(plan_row) |
| 571 |
> |
ncol = getNcol(plan_col) |
| 572 |
> |
|
| 573 |
> |
if (.not. allocated(tagRow)) then |
| 574 |
> |
allocate(tagRow(nrow),STAT=alloc_stat) |
| 575 |
> |
if (alloc_stat /= 0 ) then |
| 576 |
> |
status = -1 |
| 577 |
> |
return |
| 578 |
> |
endif |
| 579 |
> |
else |
| 580 |
> |
deallocate(tagRow) |
| 581 |
> |
allocate(tagRow(nrow),STAT=alloc_stat) |
| 582 |
> |
if (alloc_stat /= 0 ) then |
| 583 |
> |
status = -1 |
| 584 |
> |
return |
| 585 |
> |
endif |
| 586 |
> |
|
| 587 |
> |
endif |
| 588 |
> |
! allocate column arrays |
| 589 |
> |
if (.not. allocated(tagColumn)) then |
| 590 |
> |
allocate(tagColumn(ncol),STAT=alloc_stat) |
| 591 |
> |
if (alloc_stat /= 0 ) then |
| 592 |
> |
status = -1 |
| 593 |
> |
return |
| 594 |
> |
endif |
| 595 |
> |
else |
| 596 |
> |
deallocate(tagColumn) |
| 597 |
> |
allocate(tagColumn(ncol),STAT=alloc_stat) |
| 598 |
> |
if (alloc_stat /= 0 ) then |
| 599 |
> |
status = -1 |
| 600 |
> |
return |
| 601 |
> |
endif |
| 602 |
> |
endif |
| 603 |
> |
|
| 604 |
> |
call gather(tags,tagRow,plan_row) |
| 605 |
> |
call gather(tags,tagColumn,plan_col) |
| 606 |
> |
|
| 607 |
> |
|
| 608 |
> |
end subroutine setTags |
| 609 |
> |
|
| 610 |
> |
pure function getNcol(thisplan) result(ncol) |
| 611 |
> |
type (gs_plan), intent(in) :: thisplan |
| 612 |
> |
integer :: ncol |
| 613 |
> |
ncol = thisplan%gsComponentPlan%nComponentsColumn |
| 614 |
|
end function getNcol |
| 615 |
|
|
| 616 |
< |
function getNrow(thisplan) result(ncol) |
| 617 |
< |
type (gsPlan) :: thisplan |
| 616 |
> |
pure function getNrow(thisplan) result(ncol) |
| 617 |
> |
type (gs_plan), intent(in) :: thisplan |
| 618 |
|
integer :: ncol |
| 619 |
|
ncol = thisplan%gsComponentPlan%nComponentsrow |
| 620 |
|
end function getNrow |
| 621 |
|
|
| 622 |
+ |
function isMPISimSet() result(isthisSimSet) |
| 623 |
+ |
logical :: isthisSimSet |
| 624 |
+ |
if (isSimSet) then |
| 625 |
+ |
isthisSimSet = .true. |
| 626 |
+ |
else |
| 627 |
+ |
isthisSimSet = .false. |
| 628 |
+ |
endif |
| 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 |
|
|
