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module mpi_module |
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#ifdef MPI |
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use mpi |
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implicit none |
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PRIVATE |
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|
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!!PUBLIC Subroutines contained in this module |
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public :: gather, scatter |
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|
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!!PUBLIC Subroutines contained in MPI module |
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public :: mpi_bcast |
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public :: mpi_allreduce |
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public :: mpi_reduce |
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public :: mpi_send |
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public :: mpi_recv |
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public :: mpi_get_processor_name |
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public :: mpi_finalize |
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|
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!!PUBLIC mpi variables |
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public :: mpi_comm_world |
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public :: mpi_character |
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public :: mpi_integer |
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public :: mpi_double_precision |
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public :: mpi_sum |
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public :: mpi_max |
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public :: mpi_status_size |
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! public :: mpi_recv_char |
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public :: mpi_any_source |
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|
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!! public variables |
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integer,public :: mpi_err |
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integer,public :: node |
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integer,public :: numberProcessors |
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integer,public :: row_comm,col_comm |
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integer,public :: nstart,nend,nrow,ncol |
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integer,public :: nmol_start,nmol_end |
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integer,public :: max_local,max_row,max_col |
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integer,public :: maxmol_local |
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integer,public :: number_of_cols,number_of_rows |
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|
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integer,public, allocatable, dimension(:,:) :: node_atype_index |
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type, public :: gs_plan |
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! private |
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integer :: me, nprocs, n_datum,full_size !n = # of datums on local proc |
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integer, dimension(:), pointer :: displs |
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integer, dimension(:), pointer :: counts |
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integer :: comm |
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end type gs_plan |
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|
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type (gs_plan), public :: plan_row |
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type (gs_plan), public :: plan_row3 |
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type (gs_plan), public :: plan_col |
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type (gs_plan), public :: plan_col3 |
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|
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contains |
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subroutine setup_parallel_mpi(status) |
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integer, intent(out), optional :: status |
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integer :: i,junk,junk1 |
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integer :: numcolmax,row_indx,col_indx |
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character(len=80) msg |
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|
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if (present(status)) status = 0 |
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|
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call mpi_allreduce(nlocal,natoms,1,mpi_integer, & |
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mpi_sum,mpi_comm_world,mpi_err) |
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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! nlocal = nend - nstart + 1 |
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nend = nlocal + nstart - 1 |
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|
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!! force decomp gives proc_atoms = natoms/dsqrt(nprocs) to form |
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!! a square matrix of length dsqrt(nprocs) |
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|
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numcolmax = nint(dsqrt(dble(nprocs))) |
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do i = 1, numcolmax |
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if (mod(nprocs,i).eq.0) number_of_cols = i |
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end do |
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|
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number_of_rows = nprocs/number_of_cols |
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row_indx = node/number_of_cols |
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call mpi_comm_split(mpi_comm_world,row_indx,0,row_comm,mpi_err) |
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|
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col_indx = mod(node,number_of_cols) |
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call mpi_comm_split(mpi_comm_world,col_indx,0,col_comm,mpi_err) |
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|
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call mpi_comm_size(row_comm,junk,mpi_err) |
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call mpi_comm_size(col_comm,junk1,mpi_err) |
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|
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!! figure out natoms_row, number of atoms owned by my row |
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!! figure out natoms_col, number of atoms owned by my col |
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|
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call mpi_allreduce(nlocal,nrow,1,mpi_integer,mpi_sum,row_comm,mpi_err) |
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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call mpi_allreduce(nlocal,ncol,1,mpi_integer,mpi_sum,col_comm,mpi_err) |
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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! Init gather scatter plans ala plimpton... |
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|
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call plan_gather_scatter(nlocal,row_comm,plan_row) |
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call plan_gather_scatter(3*nlocal,row_comm,plan_row3) |
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call plan_gather_scatter(nlocal,col_comm,plan_col) |
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call plan_gather_scatter(3*nlocal,col_comm,plan_col3) |
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! compute current bounds mpi_max will return the largest value |
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call mpi_allreduce(nlocal,max_local,1,mpi_integer,mpi_max, & |
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mpi_comm_world,mpi_err) |
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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call mpi_allreduce(nrow,max_row,1,mpi_integer,mpi_max, & |
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mpi_comm_world,mpi_err) |
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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call mpi_allreduce(ncol,max_col,1,mpi_integer,mpi_max, & |
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mpi_comm_world,mpi_err) |
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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|
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!! allocate mpi row and col arrays... |
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! call allocate_mpi_row_arrays(max_row) |
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! call allocate_mpi_col_arrays(max_col) |
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!! allocate mpi row and col arrays... |
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call allocate_mpi_row_arrays(nrow) |
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call allocate_mpi_col_arrays(ncol) |
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end subroutine setup_parallel_mpi |
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!! subroutine to distribute column and row atom type info... |
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subroutine mpi_handle_atypes(status) |
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integer :: row_proc_size, column_proc_size |
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integer :: i,ntmp |
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integer, allocatable, dimension(:) :: ident_row_displs, ident_row_counts |
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integer, allocatable, dimension(:) :: ident_column_displs, ident_column_counts |
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! integer :: max_alloc |
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integer, intent(out), optional :: status |
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! max_alloc = max(max_row,max_col) |
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|
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!! setup tag_local arrays |
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ntmp = 0 |
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if (present(status)) status = 0 |
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do i = 1,natoms |
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if (i >= nstart .AND. i <= nend) then |
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ntmp = i - nstart + 1 |
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tag_local(ntmp) = i |
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end if |
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end do |
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|
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!! do row idents and tags |
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call mpi_comm_size(row_comm,row_proc_size,mpi_err) |
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|
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call mpi_barrier(mpi_comm_world,mpi_err) |
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allocate(ident_row_displs(row_proc_size)) |
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allocate(ident_row_counts(row_proc_size)) |
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call mpi_allgather(nlocal,1,mpi_integer,ident_row_counts,1,mpi_integer, & |
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row_comm,mpi_err) |
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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ident_row_displs(1) = 0 |
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do i = 2, row_proc_size |
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ident_row_displs(i) = ident_row_displs(i-1) + ident_row_counts(i-1) |
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enddo |
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|
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call mpi_allgatherv(ident,nlocal,mpi_integer, & |
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ident_row,ident_row_counts,ident_row_displs,mpi_integer,row_comm,mpi_err) |
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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call mpi_allgatherv(tag_local,nlocal,mpi_integer, & |
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tag_row,ident_row_counts,ident_row_displs,mpi_integer,row_comm,mpi_err) |
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|
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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deallocate(ident_row_displs) |
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deallocate(ident_row_counts) |
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|
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!! do col idents |
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call mpi_comm_size(col_comm,column_proc_size,mpi_err) |
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allocate(ident_column_displs(column_proc_size)) |
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allocate(ident_column_counts(column_proc_size)) |
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|
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call mpi_allgather(nlocal,1,mpi_integer,ident_column_counts,1,mpi_integer, & |
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col_comm,mpi_err) |
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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ident_column_displs(1) = 0 |
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do i = 2, column_proc_size |
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ident_column_displs(i) = ident_column_displs(i-1) + ident_column_counts(i-1) |
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enddo |
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|
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call mpi_allgatherv(ident,nlocal,mpi_integer, & |
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ident_col,ident_column_counts,ident_column_displs,mpi_integer,col_comm,mpi_err) |
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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call mpi_allgatherv(tag_local,nlocal,mpi_integer, & |
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tag_col,ident_column_counts,ident_column_displs,mpi_integer,col_comm,mpi_err) |
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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deallocate(ident_column_displs) |
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deallocate(ident_column_counts) |
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|
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end subroutine mpi_handle_atypes |
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|
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|
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!! initalizes a gather scatter plan |
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subroutine plan_gather_scatter( local_number, & |
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orig_comm, this_plan) |
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|
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type (gs_plan), intent(out) :: this_plan |
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integer, intent(in) :: local_number |
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integer, intent(in) :: orig_comm |
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integer :: sizeof_int |
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integer :: ierror |
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integer :: comm |
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integer :: me |
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integer :: comm_procs |
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integer :: i,junk |
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integer :: number_of_particles |
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|
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|
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|
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number_of_particles = 0 |
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call mpi_comm_dup(orig_comm,comm,mpi_err) |
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call mpi_comm_rank(comm,me,mpi_err) |
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call mpi_comm_size(comm,comm_procs,mpi_err) |
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|
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sizeof_int = selected_int_kind(4) |
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|
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allocate (this_plan%counts(0:comm_procs-1),STAT=ierror) |
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if (ierror /= 0) then |
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|
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end if |
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|
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allocate (this_plan%displs(0:comm_procs-1),STAT=ierror) |
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if (ierror /= 0) then |
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|
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end if |
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|
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|
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call mpi_allgather(local_number,1,mpi_integer,this_plan%counts, & |
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1,mpi_integer,comm,mpi_err) |
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|
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|
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!! figure out the total number of particles in this plan |
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number_of_particles = sum(this_plan%counts) |
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|
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|
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!initialize plan |
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this_plan%displs(0) = 0 |
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do i = 1, comm_procs - 1,1 |
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this_plan%displs(i) = this_plan%displs(i-1) + this_plan%counts(i-1) |
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end do |
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|
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|
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this_plan%me = me |
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this_plan%nprocs = comm_procs |
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this_plan%full_size = number_of_particles |
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this_plan%comm = comm |
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this_plan%n_datum = local_number |
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|
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end subroutine plan_gather_scatter |
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|
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subroutine unplan_gather_scatter(this_plan) |
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|
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type (gs_plan), intent(inout) :: this_plan |
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|
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call mpi_comm_free(this_plan%comm,mpi_err) |
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|
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deallocate(this_plan%counts) |
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deallocate(this_plan%displs) |
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|
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end subroutine unplan_gather_scatter |
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|
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subroutine gather_double( sbuffer, rbuffer, this_plan, status) |
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|
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type (gs_plan), intent(in) :: this_plan |
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real( kind = DP ), dimension(:), intent(in) :: sbuffer |
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real( kind = DP ), dimension(:), intent(in) :: rbuffer |
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integer :: noffset |
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integer, intent(out), optional :: status |
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|
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if (present(status)) status = 0 |
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noffset = this_plan%displs(this_plan%me) |
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|
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call mpi_allgatherv(sbuffer,this_plan%n_datum, mpi_double_precision, & |
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rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, & |
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this_plan%comm, mpi_err) |
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|
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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end subroutine gather_double |
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|
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subroutine gather_double_dim( sbuffer, rbuffer, this_plan, status) |
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|
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type (gs_plan), intent(in) :: this_plan |
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real( kind = DP ), dimension(:,:), intent(in) :: sbuffer |
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real( kind = DP ), dimension(:,:), intent(in) :: rbuffer |
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integer :: noffset,i,ierror |
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integer, intent(out), optional :: status |
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|
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external mpi_allgatherv |
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|
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if (present(status)) status = 0 |
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|
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! noffset = this_plan%displs(this_plan%me) |
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|
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call mpi_allgatherv(sbuffer,this_plan%n_datum, mpi_double_precision, & |
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rbuffer,this_plan%counts,this_plan%displs,mpi_double_precision, & |
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this_plan%comm, mpi_err) |
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|
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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end subroutine gather_double_dim |
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|
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subroutine scatter_double( sbuffer, rbuffer, this_plan, status) |
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|
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type (gs_plan), intent(in) :: this_plan |
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real( kind = DP ), dimension(:), intent(in) :: sbuffer |
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real( kind = DP ), dimension(:), intent(in) :: rbuffer |
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integer, intent(out), optional :: status |
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external mpi_reduce_scatter |
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|
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if (present(status)) status = 0 |
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|
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call mpi_reduce_scatter(sbuffer,rbuffer, this_plan%counts, & |
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mpi_double_precision, MPI_SUM, this_plan%comm, mpi_err) |
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|
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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end subroutine scatter_double |
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|
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subroutine scatter_double_dim( sbuffer, rbuffer, this_plan, status) |
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|
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type (gs_plan), intent(in) :: this_plan |
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real( kind = DP ), dimension(:,:), intent(in) :: sbuffer |
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real( kind = DP ), dimension(:,:), intent(in) :: rbuffer |
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integer, intent(out), optional :: status |
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external mpi_reduce_scatter |
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|
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if (present(status)) status = 0 |
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call mpi_reduce_scatter(sbuffer,rbuffer, this_plan%counts, & |
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mpi_double_precision, MPI_SUM, this_plan%comm, mpi_err) |
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|
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if (mpi_err /= 0) then |
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if (present(status)) status = -1 |
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endif |
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|
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end subroutine scatter_double_dim |
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|
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|
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#endif |
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end module mpi_module |
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|
