| 1 |
chuckv |
207 |
!! MPI support for long range forces using force decomposition |
| 2 |
|
|
!! on a square grid of processors. |
| 3 |
|
|
!! Corresponds to mpiSimunation.cpp for C++ |
| 4 |
|
|
!! mpi_module also contains a private interface for mpi f90 routines. |
| 5 |
|
|
!! |
| 6 |
|
|
!! @author Charles F. Vardeman II |
| 7 |
|
|
!! @author Matthew Meineke |
| 8 |
|
|
!! @version $Id: mpiSimulation.F90,v 1.1 2002-12-13 16:51:23 chuckv Exp $, $Date: 2002-12-13 16:51:23 $, $Name: not supported by cvs2svn $, $Revision: 1.1 $ |
| 9 |
|
|
|
| 10 |
|
|
|
| 11 |
|
|
|
| 12 |
|
|
|
| 13 |
|
|
module mpiSimulation |
| 14 |
|
|
#ifdef MPI |
| 15 |
|
|
use mpi |
| 16 |
|
|
implicit none |
| 17 |
|
|
PRIVATE |
| 18 |
|
|
|
| 19 |
|
|
|
| 20 |
|
|
!! PUBLIC Subroutines contained in this module |
| 21 |
|
|
!! gather and scatter are a generic interface |
| 22 |
|
|
!! to gather and scatter routines |
| 23 |
|
|
public :: gather, scatter |
| 24 |
|
|
public :: setupSimParallel |
| 25 |
|
|
!! PUBLIC Subroutines contained in MPI module |
| 26 |
|
|
public :: mpi_bcast |
| 27 |
|
|
public :: mpi_allreduce |
| 28 |
|
|
public :: mpi_reduce |
| 29 |
|
|
public :: mpi_send |
| 30 |
|
|
public :: mpi_recv |
| 31 |
|
|
public :: mpi_get_processor_name |
| 32 |
|
|
public :: mpi_finalize |
| 33 |
|
|
|
| 34 |
|
|
!! PUBLIC mpi variables |
| 35 |
|
|
public :: mpi_comm_world |
| 36 |
|
|
public :: mpi_character |
| 37 |
|
|
public :: mpi_integer |
| 38 |
|
|
public :: mpi_double_precision |
| 39 |
|
|
public :: mpi_sum |
| 40 |
|
|
public :: mpi_max |
| 41 |
|
|
public :: mpi_status_size |
| 42 |
|
|
public :: mpi_any_source |
| 43 |
|
|
|
| 44 |
|
|
!! Safety logical to prevent access to ComponetPlan until |
| 45 |
|
|
!! set by C++. |
| 46 |
|
|
logical :: ComponentPlanSet = .false. |
| 47 |
|
|
|
| 48 |
|
|
|
| 49 |
|
|
!! generic mpi error declaration. |
| 50 |
|
|
integer,public :: mpi_err |
| 51 |
|
|
|
| 52 |
|
|
!! Include mpiComponentPlan type. mpiComponentPlan is a |
| 53 |
|
|
!! dual header file for both c and fortran. |
| 54 |
|
|
#define __FORTRAN90 |
| 55 |
|
|
#include "mpiComponentPlan.h" |
| 56 |
|
|
|
| 57 |
|
|
!! gs_plan contains plans for gather and scatter routines |
| 58 |
|
|
type, public :: gs_plan |
| 59 |
|
|
private |
| 60 |
|
|
type (mpiComponentPlan), pointer :: gsComponentPlan |
| 61 |
|
|
! integer :: me, nprocs, n_datum,full_size !n = # of datums on local proc |
| 62 |
|
|
integer, dimension(:), pointer :: displs |
| 63 |
|
|
integer, dimension(:), pointer :: counts |
| 64 |
|
|
integer :: planComm !! Communicator for this plan |
| 65 |
|
|
end type gs_plan |
| 66 |
|
|
|
| 67 |
|
|
! plans for different decompositions |
| 68 |
|
|
type (gs_plan), public :: plan_row |
| 69 |
|
|
type (gs_plan), public :: plan_row3d |
| 70 |
|
|
type (gs_plan), public :: plan_col |
| 71 |
|
|
type (gs_plan), public :: plan_col3d |
| 72 |
|
|
|
| 73 |
|
|
type (mpiComponentPlan), pointer :: simComponentPlan |
| 74 |
|
|
|
| 75 |
|
|
! interface for gather scatter routines |
| 76 |
|
|
!! Generic interface for gather. |
| 77 |
|
|
!! Gathers an local array into row or column array |
| 78 |
|
|
!! Interface provided for integer, double and double |
| 79 |
|
|
!! rank 2 arrays. |
| 80 |
|
|
interface gather |
| 81 |
|
|
module procedure gather_integer |
| 82 |
|
|
module procedure gather_double |
| 83 |
|
|
module procedure gather_double_2d |
| 84 |
|
|
end interface |
| 85 |
|
|
|
| 86 |
|
|
!! Generic interface for scatter. |
| 87 |
|
|
!! Scatters a row or column array, adding componets |
| 88 |
|
|
!! and reducing them to a local nComponent array. |
| 89 |
|
|
!! Interface provided for double and double rank=2 arrays. |
| 90 |
|
|
interface scatter |
| 91 |
|
|
module procedure scatter_double |
| 92 |
|
|
module procedure scatter_double_2d |
| 93 |
|
|
end interface |
| 94 |
|
|
|
| 95 |
|
|
|
| 96 |
|
|
contains |
| 97 |
|
|
|
| 98 |
|
|
!! Sets up mpiComponentPlan with structure passed from C++. |
| 99 |
|
|
subroutine setupSimParallel(nDim,thisComponentPlan) |
| 100 |
|
|
! Passed Arguments |
| 101 |
|
|
integer, intent(inout) :: nDim !! Number of dimensions |
| 102 |
|
|
!! mpiComponentPlan struct from C |
| 103 |
|
|
type (mpiComponentPlan), intent(inout) :: thisComponentPlan |
| 104 |
|
|
integer :: status |
| 105 |
|
|
|
| 106 |
|
|
if (componentPlanSet) return |
| 107 |
|
|
|
| 108 |
|
|
componentPlanSet = .true. |
| 109 |
|
|
|
| 110 |
|
|
call make_Force_Grid(thisComponentPlan,status) |
| 111 |
|
|
call updateGriComponents(thisComponentPlan,status) |
| 112 |
|
|
|
| 113 |
|
|
|
| 114 |
|
|
call plan_gather_scatter(1,thisComponentPlan,row_comm,plan_row) |
| 115 |
|
|
call plan_gather_scatter(nDim,thisComponentPlan,row_comm,plan_row3d) |
| 116 |
|
|
call plan_gather_scatter(1,thisComponentPlan,col_comm,plan_col) |
| 117 |
|
|
call plan_gather_scatte(nDim,thisComponentPlan,col_comm,plan_col3d) |
| 118 |
|
|
|
| 119 |
|
|
|
| 120 |
|
|
|
| 121 |
|
|
end subroutine setupSimParallel |
| 122 |
|
|
|
| 123 |
|
|
!! Updates number of row and column components for long range forces. |
| 124 |
|
|
subroutine updateGridComponents(thisComponentPlan,status) |
| 125 |
|
|
type (mpiComponentPlan) :: thisComponentPlan !! mpiComponentPlan |
| 126 |
|
|
|
| 127 |
|
|
!! Status return |
| 128 |
|
|
!! - 0 Success |
| 129 |
|
|
!! - -1 Failure |
| 130 |
|
|
integer, intent(out) :: status |
| 131 |
|
|
integer :: nComponentsLocal |
| 132 |
|
|
integer :: nComponentsRow = 0 |
| 133 |
|
|
integer :: nComponensColumn = 0 |
| 134 |
|
|
integer :: mpiErrors |
| 135 |
|
|
|
| 136 |
|
|
status = 0 |
| 137 |
|
|
if (.not. componentPlanSet) return |
| 138 |
|
|
|
| 139 |
|
|
if (thisComponentPlan%myNlocal == 0 ) then |
| 140 |
|
|
status = -1 |
| 141 |
|
|
return |
| 142 |
|
|
endif |
| 143 |
|
|
|
| 144 |
|
|
nComponentsLocal = thisComponentPlan%myNlocal |
| 145 |
|
|
|
| 146 |
|
|
call mpi_allreduce(nComponentsLocal,nComponentsRow,1,mpi_integer,& |
| 147 |
|
|
mpi_sum,thisComponentPlan%rowComm,mpiError) |
| 148 |
|
|
if (mpiErrors /= 0) then |
| 149 |
|
|
status = -1 |
| 150 |
|
|
return |
| 151 |
|
|
endif |
| 152 |
|
|
|
| 153 |
|
|
call mpi_allreduce(nComponentsLocal,nComponentsColumn,1,mpi_integer, & |
| 154 |
|
|
mpi_sum,thisComponentPlan%columnComm,mpiError) |
| 155 |
|
|
if (mpiErrors /= 0) then |
| 156 |
|
|
status = -1 |
| 157 |
|
|
return |
| 158 |
|
|
endif |
| 159 |
|
|
|
| 160 |
|
|
thisComponentPlan%nComponentsRow = nComponentsRow |
| 161 |
|
|
thisComponentPlan%nComponentsColumn = nComponentsColumn |
| 162 |
|
|
|
| 163 |
|
|
|
| 164 |
|
|
end subroutine updateGridComponents |
| 165 |
|
|
|
| 166 |
|
|
|
| 167 |
|
|
!! Creates a square force decomposition of processors into row and column |
| 168 |
|
|
!! communicators. |
| 169 |
|
|
subroutine make_Force_Grid(thisComponentPlan,status) |
| 170 |
|
|
type (mpiComponentPlan) :: thisComponentPlan |
| 171 |
|
|
integer, intent(out) :: status !! status returns -1 if error |
| 172 |
|
|
integer :: nColumnsMax !! Maximum number of columns |
| 173 |
|
|
integer :: nWorldProcessors !! Total number of processors in World comm. |
| 174 |
|
|
integer :: rowIndex !! Row for this processor. |
| 175 |
|
|
integer :: columnIndex !! Column for this processor. |
| 176 |
|
|
integer :: nRows !! Total number of rows. |
| 177 |
|
|
integer :: nColumns !! Total number of columns. |
| 178 |
|
|
integer :: mpiErrors !! MPI errors. |
| 179 |
|
|
integer :: rowCommunicator !! MPI row communicator. |
| 180 |
|
|
integer :: columnCommunicator |
| 181 |
|
|
integer :: myWorldRank |
| 182 |
|
|
integer :: i |
| 183 |
|
|
|
| 184 |
|
|
|
| 185 |
|
|
if (.not. ComponentPlanSet) return |
| 186 |
|
|
status = 0 |
| 187 |
|
|
|
| 188 |
|
|
!! We make a dangerous assumption here that if numberProcessors is |
| 189 |
|
|
!! zero, then we need to get the information from MPI. |
| 190 |
|
|
if (thisComponentPlan%numberProcessors == 0 ) then |
| 191 |
|
|
call mpi_comm_size( MPI_COMM_WORLD, nWorldProcessors,mpiErrors) |
| 192 |
|
|
if ( mpiErrors /= 0 ) then |
| 193 |
|
|
status = -1 |
| 194 |
|
|
return |
| 195 |
|
|
endif |
| 196 |
|
|
call mpi_comm_rank( MPI_COMM_WORLD,myWorldRank,mpiErrors) |
| 197 |
|
|
if ( mpiErrors /= 0 ) then |
| 198 |
|
|
status = -1 |
| 199 |
|
|
return |
| 200 |
|
|
endif |
| 201 |
|
|
|
| 202 |
|
|
else |
| 203 |
|
|
nWorldProcessors = thisComponentPlan%numberProcessors |
| 204 |
|
|
myWorldRank = thisComponentPlan%myRank |
| 205 |
|
|
endif |
| 206 |
|
|
|
| 207 |
|
|
|
| 208 |
|
|
|
| 209 |
|
|
|
| 210 |
|
|
nColumnsMax = nint(sqrt(real(nWorldProcessors,kind=dp))) |
| 211 |
|
|
|
| 212 |
|
|
do i = 1, nColumnsMax |
| 213 |
|
|
if (mod(nWorldProcessors,i) == 0) nColumns = i |
| 214 |
|
|
end do |
| 215 |
|
|
|
| 216 |
|
|
nRows = nWorldProcessors/nColumns |
| 217 |
|
|
|
| 218 |
|
|
rowIndex = myWorldRank/nColumns |
| 219 |
|
|
call mpi_comm_split(mpi_comm_world,rowIndex,0,rowCommunicator,mpiError) |
| 220 |
|
|
if ( mpiErrors /= 0 ) then |
| 221 |
|
|
status = -1 |
| 222 |
|
|
return |
| 223 |
|
|
endif |
| 224 |
|
|
|
| 225 |
|
|
columnIndex = mod(myWorldRank,nColumns) |
| 226 |
|
|
call mpi_comm_split(mpi_comm_world,columnIndex,0,columnCommunicator,mpiError) |
| 227 |
|
|
if ( mpiErrors /= 0 ) then |
| 228 |
|
|
status = -1 |
| 229 |
|
|
return |
| 230 |
|
|
endif |
| 231 |
|
|
|
| 232 |
|
|
! Set appropriate components of thisComponentPlan |
| 233 |
|
|
thisComponentPlan%rowComm = rowCommunicator |
| 234 |
|
|
thisComponentPlan%columnComm = columnCommunicator |
| 235 |
|
|
thisComponentPlan%rowIndex = rowIndex |
| 236 |
|
|
thisComponentPlan%columnIndex = columnIndex |
| 237 |
|
|
thisComponentPlan%numberRows = nRows |
| 238 |
|
|
thisComponentPlan%numberColumns = nColumns |
| 239 |
|
|
|
| 240 |
|
|
|
| 241 |
|
|
end subroutine make_Force_Grid |
| 242 |
|
|
|
| 243 |
|
|
|
| 244 |
|
|
!! initalizes a gather scatter plan |
| 245 |
|
|
subroutine plan_gather_scatter( nDim,thisComponentPlan, & |
| 246 |
|
|
thisComm, this_plan) |
| 247 |
|
|
integer, intent(in) :: nDim !! Number of dimensions for gather scatter plan |
| 248 |
|
|
type (mpiComponentPlan), intent(in) :: thisComponentPlan |
| 249 |
|
|
type (gs_plan), intent(out) :: this_plan !! MPI Component Plan |
| 250 |
|
|
integer, intent(in) :: thisComm !! |
| 251 |
|
|
integer :: sizeof_int |
| 252 |
|
|
integer :: ierror |
| 253 |
|
|
integer :: comm |
| 254 |
|
|
integer :: me |
| 255 |
|
|
integer :: comm_procs |
| 256 |
|
|
integer :: i,junk |
| 257 |
|
|
integer :: number_of_particles |
| 258 |
|
|
|
| 259 |
|
|
|
| 260 |
|
|
|
| 261 |
|
|
number_of_particles = 0 |
| 262 |
|
|
call mpi_comm_dup(orig_comm,comm,mpi_err) |
| 263 |
|
|
call mpi_comm_rank(comm,me,mpi_err) |
| 264 |
|
|
call mpi_comm_size(comm,comm_procs,mpi_err) |
| 265 |
|
|
|
| 266 |
|
|
sizeof_int = selected_int_kind(4) |
| 267 |
|
|
|
| 268 |
|
|
allocate (this_plan%counts(0:comm_procs-1),STAT=ierror) |
| 269 |
|
|
if (ierror /= 0) then |
| 270 |
|
|
|
| 271 |
|
|
end if |
| 272 |
|
|
|
| 273 |
|
|
allocate (this_plan%displs(0:comm_procs-1),STAT=ierror) |
| 274 |
|
|
if (ierror /= 0) then |
| 275 |
|
|
|
| 276 |
|
|
end if |
| 277 |
|
|
|
| 278 |
|
|
|
| 279 |
|
|
call mpi_allgather(local_number,1,mpi_integer,this_plan%counts, & |
| 280 |
|
|
1,mpi_integer,comm,mpi_err) |
| 281 |
|
|
|
| 282 |
|
|
|
| 283 |
|
|
!! figure out the total number of particles in this plan |
| 284 |
|
|
number_of_particles = sum(this_plan%counts) |
| 285 |
|
|
|
| 286 |
|
|
|
| 287 |
|
|
!initialize plan |
| 288 |
|
|
this_plan%displs(0) = 0 |
| 289 |
|
|
do i = 1, comm_procs - 1,1 |
| 290 |
|
|
this_plan%displs(i) = this_plan%displs(i-1) + this_plan%counts(i-1) |
| 291 |
|
|
end do |
| 292 |
|
|
|
| 293 |
|
|
|
| 294 |
|
|
this_plan%me = me |
| 295 |
|
|
this_plan%nprocs = comm_procs |
| 296 |
|
|
this_plan%full_size = number_of_particles |
| 297 |
|
|
this_plan%comm = comm |
| 298 |
|
|
this_plan%n_datum = local_number |
| 299 |
|
|
|
| 300 |
|
|
end subroutine plan_gather_scatter |
| 301 |
|
|
|
| 302 |
|
|
|
| 303 |
|
|
subroutine unplan_gather_scatter(this_plan) |
| 304 |
|
|
|
| 305 |
|
|
type (gs_plan), intent(inout) :: this_plan |
| 306 |
|
|
|
| 307 |
|
|
call mpi_comm_free(this_plan%comm,mpi_err) |
| 308 |
|
|
|
| 309 |
|
|
deallocate(this_plan%counts) |
| 310 |
|
|
deallocate(this_plan%displs) |
| 311 |
|
|
|
| 312 |
|
|
end subroutine unplan_gather_scatter |
| 313 |
|
|
|
| 314 |
|
|
subroutine gather_integer( sbuffer, rbuffer, this_plan, status) |
| 315 |
|
|
|
| 316 |
|
|
type (gs_plan), intent(in) :: this_plan |
| 317 |
|
|
integer, dimension(:), intent(in) :: sbuffer |
| 318 |
|
|
integer, dimension(:), intent(in) :: rbuffer |
| 319 |
|
|
integer :: noffset |
| 320 |
|
|
integer, intent(out), optional :: status |
| 321 |
|
|
|
| 322 |
|
|
if (present(status)) status = 0 |
| 323 |
|
|
noffset = this_plan%displs(this_plan%me) |
| 324 |
|
|
|
| 325 |
|
|
call mpi_allgatherv(sbuffer,this_plan%n_datum, mpi_integer, & |
| 326 |
|
|
rbuffer,this_plan%counts,this_plan%displs,mpi_integer, & |
| 327 |
|
|
this_plan%comm, mpi_err) |
| 328 |
|
|
|
| 329 |
|
|
if (mpi_err /= 0) then |
| 330 |
|
|
if (present(status)) status = -1 |
| 331 |
|
|
endif |
| 332 |
|
|
|
| 333 |
|
|
end subroutine gather_integer |
| 334 |
|
|
|
| 335 |
|
|
subroutine gather_double( sbuffer, rbuffer, this_plan, status) |
| 336 |
|
|
|
| 337 |
|
|
type (gs_plan), intent(in) :: this_plan |
| 338 |
|
|
real( kind = DP ), dimension(:), intent(in) :: sbuffer |
| 339 |
|
|
real( kind = DP ), dimension(:), intent(in) :: rbuffer |
| 340 |
|
|
integer :: noffset |
| 341 |
|
|
integer, intent(out), optional :: status |
| 342 |
|
|
|
| 343 |
|
|
if (present(status)) status = 0 |
| 344 |
|
|
noffset = this_plan%displs(this_plan%me) |
| 345 |
|
|
|
| 346 |
|
|
call mpi_allgatherv(sbuffer,this_plan%n_datum, mpi_double_precision, & |
| 347 |
|
|
rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, & |
| 348 |
|
|
this_plan%comm, mpi_err) |
| 349 |
|
|
|
| 350 |
|
|
if (mpi_err /= 0) then |
| 351 |
|
|
if (present(status)) status = -1 |
| 352 |
|
|
endif |
| 353 |
|
|
|
| 354 |
|
|
end subroutine gather_double |
| 355 |
|
|
|
| 356 |
|
|
subroutine gather_double_2d( sbuffer, rbuffer, this_plan, status) |
| 357 |
|
|
|
| 358 |
|
|
type (gs_plan), intent(in) :: this_plan |
| 359 |
|
|
real( kind = DP ), dimension(:,:), intent(in) :: sbuffer |
| 360 |
|
|
real( kind = DP ), dimension(:,:), intent(in) :: rbuffer |
| 361 |
|
|
integer :: noffset,i,ierror |
| 362 |
|
|
integer, intent(out), optional :: status |
| 363 |
|
|
|
| 364 |
|
|
external mpi_allgatherv |
| 365 |
|
|
|
| 366 |
|
|
if (present(status)) status = 0 |
| 367 |
|
|
|
| 368 |
|
|
! noffset = this_plan%displs(this_plan%me) |
| 369 |
|
|
|
| 370 |
|
|
call mpi_allgatherv(sbuffer,this_plan%n_datum, mpi_double_precision, & |
| 371 |
|
|
rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, & |
| 372 |
|
|
this_plan%comm, mpi_err) |
| 373 |
|
|
|
| 374 |
|
|
if (mpi_err /= 0) then |
| 375 |
|
|
if (present(status)) status = -1 |
| 376 |
|
|
endif |
| 377 |
|
|
|
| 378 |
|
|
end subroutine gather_double_2d |
| 379 |
|
|
|
| 380 |
|
|
subroutine scatter_double( sbuffer, rbuffer, this_plan, status) |
| 381 |
|
|
|
| 382 |
|
|
type (gs_plan), intent(in) :: this_plan |
| 383 |
|
|
real( kind = DP ), dimension(:), intent(in) :: sbuffer |
| 384 |
|
|
real( kind = DP ), dimension(:), intent(in) :: rbuffer |
| 385 |
|
|
integer, intent(out), optional :: status |
| 386 |
|
|
external mpi_reduce_scatter |
| 387 |
|
|
|
| 388 |
|
|
if (present(status)) status = 0 |
| 389 |
|
|
|
| 390 |
|
|
call mpi_reduce_scatter(sbuffer,rbuffer, this_plan%counts, & |
| 391 |
|
|
mpi_double_precision, MPI_SUM, this_plan%comm, mpi_err) |
| 392 |
|
|
|
| 393 |
|
|
if (mpi_err /= 0) then |
| 394 |
|
|
if (present(status)) status = -1 |
| 395 |
|
|
endif |
| 396 |
|
|
|
| 397 |
|
|
end subroutine scatter_double |
| 398 |
|
|
|
| 399 |
|
|
subroutine scatter_double_2d( sbuffer, rbuffer, this_plan, status) |
| 400 |
|
|
|
| 401 |
|
|
type (gs_plan), intent(in) :: this_plan |
| 402 |
|
|
real( kind = DP ), dimension(:,:), intent(in) :: sbuffer |
| 403 |
|
|
real( kind = DP ), dimension(:,:), intent(in) :: rbuffer |
| 404 |
|
|
integer, intent(out), optional :: status |
| 405 |
|
|
external mpi_reduce_scatter |
| 406 |
|
|
|
| 407 |
|
|
if (present(status)) status = 0 |
| 408 |
|
|
call mpi_reduce_scatter(sbuffer,rbuffer, this_plan%counts, & |
| 409 |
|
|
mpi_double_precision, MPI_SUM, this_plan%comm, mpi_err) |
| 410 |
|
|
|
| 411 |
|
|
if (mpi_err /= 0) then |
| 412 |
|
|
if (present(status)) status = -1 |
| 413 |
|
|
endif |
| 414 |
|
|
|
| 415 |
|
|
end subroutine scatter_double_2d |
| 416 |
|
|
|
| 417 |
|
|
|
| 418 |
|
|
#endif |
| 419 |
|
|
end module mpiSimulation |
| 420 |
|
|
|
