mirror of https://gitlab.com/QEF/q-e.git
664 lines
21 KiB
Fortran
664 lines
21 KiB
Fortran
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!
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! Copyright (C) 2002-2003 PWSCF-FPMD-CP90 group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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#define __MSGSIZ_MAX 10000
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!
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! Wrapper for MPI implementations that have problems with large messages
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!
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! In some Cray XD1 systems the communicaction subsystem
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! crashes when message exceed a given size, so we need
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! to break down MPI communications in smaller pieces
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!
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!=----------------------------------------------------------------------------=!
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!
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SUBROUTINE BCAST_REAL( array, n, root, gid )
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USE kinds, ONLY: DP
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USE parallel_include
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IMPLICIT NONE
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REAL(DP) :: array( n )
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INTEGER :: n, root, gid, ierr
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#if defined __MPI
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INTEGER :: msgsiz_max = __MSGSIZ_MAX
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INTEGER :: nblk, blksiz, msgsiz, iblk, istart, i
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#if defined __TRACE
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write(*,*) 'BCAST_REAL IN'
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#endif
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IF( n <= msgsiz_max ) THEN
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CALL MPI_BCAST( array, n, MPI_DOUBLE_PRECISION, root, gid, ierr )
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IF( ierr /= 0 ) CALL errore( ' bcast_real ', ' error in mpi_bcast 1 ', ierr )
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ELSE
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nblk = n / msgsiz_max
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blksiz = msgsiz_max
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DO iblk = 1, nblk
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istart = (iblk-1)*msgsiz_max + 1
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CALL MPI_BCAST( array( istart ), blksiz, MPI_DOUBLE_PRECISION, root, gid, ierr )
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IF( ierr /= 0 ) CALL errore( ' bcast_real ', ' error in mpi_bcast 2 ', ierr )
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END DO
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blksiz = MOD( n, msgsiz_max )
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IF( blksiz > 0 ) THEN
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istart = nblk * msgsiz_max + 1
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CALL MPI_BCAST( array( istart ), blksiz, MPI_DOUBLE_PRECISION, root, gid, ierr )
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IF( ierr /= 0 ) CALL errore( ' bcast_real ', ' error in mpi_bcast 3 ', ierr )
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END IF
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END IF
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#if defined __TRACE
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write(*,*) 'BCAST_REAL OUT'
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#endif
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#endif
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RETURN
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END SUBROUTINE BCAST_REAL
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SUBROUTINE BCAST_INTEGER( array, n, root, gid )
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USE parallel_include
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IMPLICIT NONE
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INTEGER :: array( n )
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INTEGER :: n, root, gid, ierr
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#if defined __MPI
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INTEGER :: msgsiz_max = __MSGSIZ_MAX
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INTEGER :: nblk, blksiz, msgsiz, iblk, istart, i
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#if defined __TRACE
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write(*,*) 'BCAST_INTEGER IN'
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#endif
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IF( n <= msgsiz_max ) THEN
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CALL MPI_BCAST( array, n, MPI_INTEGER, root, gid, ierr )
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IF( ierr /= 0 ) CALL errore( ' bcast_integer ', ' error in mpi_bcast 1 ', ierr )
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ELSE
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nblk = n / msgsiz_max
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blksiz = msgsiz_max
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DO iblk = 1, nblk
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istart = (iblk-1)*msgsiz_max + 1
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CALL MPI_BCAST( array( istart ), blksiz, MPI_INTEGER, root, gid, ierr )
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IF( ierr /= 0 ) CALL errore( ' bcast_integer ', ' error in mpi_bcast 2 ', ierr )
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END DO
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blksiz = MOD( n, msgsiz_max )
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IF( blksiz > 0 ) THEN
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istart = nblk * msgsiz_max + 1
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CALL MPI_BCAST( array( istart ), blksiz, MPI_INTEGER, root, gid, ierr )
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IF( ierr /= 0 ) CALL errore( ' bcast_integer ', ' error in mpi_bcast 3 ', ierr )
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END IF
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END IF
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#if defined __TRACE
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write(*,*) 'BCAST_INTEGER OUT'
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#endif
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#endif
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RETURN
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END SUBROUTINE BCAST_INTEGER
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SUBROUTINE BCAST_LOGICAL( array, n, root, gid )
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USE parallel_include
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IMPLICIT NONE
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LOGICAL :: array( n )
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INTEGER :: n, root, gid, ierr
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#if defined __MPI
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INTEGER :: msgsiz_max = __MSGSIZ_MAX
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INTEGER :: nblk, blksiz, msgsiz, iblk, istart, i
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#if defined __TRACE
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write(*,*) 'BCAST_LOGICAL IN'
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#endif
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IF( n <= msgsiz_max ) THEN
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CALL MPI_BCAST( array, n, MPI_LOGICAL, root, gid, ierr )
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IF( ierr /= 0 ) CALL errore( ' bcast_logical ', ' error in mpi_bcast 1 ', ierr )
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ELSE
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nblk = n / msgsiz_max
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blksiz = msgsiz_max
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DO iblk = 1, nblk
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istart = (iblk-1)*msgsiz_max + 1
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CALL MPI_BCAST( array( istart ), blksiz, MPI_LOGICAL, root, gid, ierr )
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IF( ierr /= 0 ) CALL errore( ' bcast_logical ', ' error in mpi_bcast 2 ', ierr )
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END DO
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blksiz = MOD( n, msgsiz_max )
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IF( blksiz > 0 ) THEN
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istart = nblk * msgsiz_max + 1
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CALL MPI_BCAST( array( istart ), blksiz, MPI_LOGICAL, root, gid, ierr )
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IF( ierr /= 0 ) CALL errore( ' bcast_logical ', ' error in mpi_bcast 3 ', ierr )
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END IF
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END IF
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#if defined __TRACE
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write(*,*) 'BCAST_LOGICAL OUT'
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#endif
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#endif
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RETURN
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END SUBROUTINE BCAST_LOGICAL
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!
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! ... "reduce"-like subroutines
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!
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!----------------------------------------------------------------------------
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SUBROUTINE reduce_base_real( dim, ps, comm, root )
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!----------------------------------------------------------------------------
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!
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! ... sums a distributed variable ps(dim) over the processors.
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! ... This version uses a fixed-length buffer of appropriate (?) dim
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! ... uses SHMEM if available, MPI otherwhise
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!
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USE kinds, ONLY : DP
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USE parallel_include
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!
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IMPLICIT NONE
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!
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INTEGER, INTENT(IN) :: dim
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REAL(DP), INTENT(INOUT) :: ps(dim)
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INTEGER, INTENT(IN) :: comm ! communecator
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INTEGER, INTENT(IN) :: root ! if root < 0 perform a reduction to all procs
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! if root >= 0 perform a reduce only to root proc.
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!
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#if defined (__PARA)
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!
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INTEGER :: info, n, nbuf, nproc, myid
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INTEGER, PARAMETER :: maxb = __MSGSIZ_MAX
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!
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#if defined (__SHMEM) && (defined __ALTIX || defined __ORIGIN)
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INTEGER :: sym_len
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LOGICAL :: first
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REAL(DP) :: buff(*), snd_buff(*)
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POINTER (buff_p, buff), (snd_buff_p, snd_buff)
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COMMON /sym_heap1/ buff_p, snd_buff_p, sym_len, first
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#else
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REAL(DP) :: buff(maxb)
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#endif
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!
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#if defined (__SHMEM)
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!
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! ... SHMEM specific
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!
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INCLUDE 'mpp/shmem.fh'
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#if defined (__ALTIX) || defined (__ORIGIN)
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INTEGER :: pWrkSync(SHMEM_REDUCE_SYNC_SIZE), &
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pWrkData(1024*1024), start
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DATA pWrkSync /SHMEM_REDUCE_SYNC_SIZE*SHMEM_SYNC_VALUE/
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DATA pWrkData / 1048576 * 0 /
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#else
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! T3E ? likely obsolete
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INTEGER :: pWrkSync, pWrkData, start
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COMMON / SH_SYNC / pWrkSync(SHMEM_BARRIER_SYNC_dim)
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COMMON / SH_DATA / pWrkData(1024*1024)
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DATA pWrkData / 1048576 * 0 /
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DATA pWrkSync / SHMEM_BARRIER_SYNC_dim * SHMEM_SYNC_VALUE /
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!DIR$ CACHE_ALIGN /SH_SYNC/
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!DIR$ CACHE_ALIGN /SH_DATA/
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#endif
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!
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#endif
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!
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#if defined __TRACE
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write(*,*) 'reduce_base_real IN'
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#endif
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CALL mpi_comm_size( comm, nproc, info )
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IF( info /= 0 ) CALL errore( 'reduce_base_real', 'error in mpi_comm_size', info )
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CALL mpi_comm_rank( comm, myid, info )
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IF( info /= 0 ) CALL errore( 'reduce_base_real', 'error in mpi_comm_rank', info )
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!
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IF ( dim <= 0 .OR. nproc <= 1 ) RETURN
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!
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! ... synchronize processes
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!
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CALL mpi_barrier( comm, info )
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IF( info /= 0 ) CALL errore( 'reduce_base_real', 'error in mpi_barrier', info )
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!
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nbuf = dim / maxb
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!
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#if defined (__SHMEM)
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#if defined (__ALTIX) || defined (__ORIGIN)
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IF (dim .GT. sym_len) THEN
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IF (sym_len .NE. 0) THEN
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CALL shpdeallc( snd_buff_p, info, -1 )
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END IF
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sym_len = dim
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CALL shpalloc( snd_buff_p, 2*sym_len, info, -1 )
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END IF
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IF (first .NE. .TRUE.) THEN
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CALL shpalloc( buff_p, 2*maxb, info, -1 )
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first = .TRUE.
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END IF
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snd_buff(1:dim) = ps(1:dim)
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#endif
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!
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start = myid * nproc
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!
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#endif
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!
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DO n = 1, nbuf
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!
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#if defined (__SHMEM)
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!
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#if defined (__ALTIX) || defined (__ORIGIN)
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CALL SHMEM_REAL8_SUM_TO_ALL( buff, snd_buff(1+(n-1)*maxb), maxb, &
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start, 0, nproc, pWrkData, pWrkSync )
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#else
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CALL SHMEM_REAL8_SUM_TO_ALL( buff, ps(1+(n-1)*maxb), maxb, &
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start, 0, nproc, pWrkData, pWrkSync )
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#endif
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!
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#else
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!
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IF( root >= 0 ) THEN
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CALL MPI_REDUCE( ps(1+(n-1)*maxb), buff, maxb, MPI_DOUBLE_PRECISION, MPI_SUM, root, comm, info )
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IF( info /= 0 ) CALL errore( 'reduce_base_real', 'error in mpi_reduce 1', info )
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ELSE
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CALL MPI_ALLREDUCE( ps(1+(n-1)*maxb), buff, maxb, MPI_DOUBLE_PRECISION, MPI_SUM, comm, info )
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IF( info /= 0 ) CALL errore( 'reduce_base_real', 'error in mpi_allreduce 1', info )
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END IF
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!
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#endif
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!
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IF( root < 0 ) THEN
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ps((1+(n-1)*maxb):(n*maxb)) = buff(1:maxb)
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ELSE IF( root == myid ) THEN
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ps((1+(n-1)*maxb):(n*maxb)) = buff(1:maxb)
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END IF
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!
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END DO
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!
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! ... possible remaining elements < maxb
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!
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IF ( ( dim - nbuf * maxb ) > 0 ) THEN
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!
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#if defined (__SHMEM)
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!
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#if defined (__ALTIX) || defined (__ORIGIN)
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CALL SHMEM_REAL8_SUM_TO_ALL( buff, snd_buff(1+nbuf*maxb), &
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& (dim-nbuf*maxb), start, 0, nproc,&
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& pWrkData, pWrkSync )
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#else
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CALL SHMEM_REAL8_SUM_TO_ALL( buff, ps(1+nbuf*maxb), (dim-nbuf*maxb), &
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start, 0, nproc, pWrkData, pWrkSync )
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#endif
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!
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#else
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!
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IF( root >= 0 ) THEN
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CALL MPI_REDUCE( ps(1+nbuf*maxb), buff, (dim-nbuf*maxb), MPI_DOUBLE_PRECISION, MPI_SUM, root, comm, info )
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IF( info /= 0 ) CALL errore( 'reduce_base_real', 'error in mpi_reduce 2', info )
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ELSE
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CALL MPI_ALLREDUCE( ps(1+nbuf*maxb), buff, (dim-nbuf*maxb), MPI_DOUBLE_PRECISION, MPI_SUM, comm, info )
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IF( info /= 0 ) CALL errore( 'reduce_base_real', 'error in mpi_allreduce 2', info )
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END IF
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!
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#endif
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!
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IF( root < 0 ) THEN
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ps((1+nbuf*maxb):dim) = buff(1:(dim-nbuf*maxb))
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ELSE IF( root == myid ) THEN
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ps((1+nbuf*maxb):dim) = buff(1:(dim-nbuf*maxb))
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END IF
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!
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END IF
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!
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#if defined __TRACE
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write(*,*) 'reduce_base_real OUT'
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#endif
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#endif
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!
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RETURN
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!
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END SUBROUTINE reduce_base_real
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!
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!
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!
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!----------------------------------------------------------------------------
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SUBROUTINE reduce_base_integer( dim, ps, comm, root )
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|
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!----------------------------------------------------------------------------
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||
|
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!
|
||
|
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! ... sums a distributed variable ps(dim) over the processors.
|
||
|
|
! ... This version uses a fixed-length buffer of appropriate (?) dim
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||
|
|
! ... uses SHMEM if available, MPI otherwhise
|
||
|
|
!
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||
|
|
USE kinds, ONLY : DP
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||
|
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USE parallel_include
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|
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!
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|
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IMPLICIT NONE
|
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!
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|
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INTEGER, INTENT(IN) :: dim
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INTEGER, INTENT(INOUT) :: ps(dim)
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INTEGER, INTENT(IN) :: comm ! communecator
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INTEGER, INTENT(IN) :: root ! if root < 0 perform a reduction to all procs
|
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! if root >= 0 perform a reduce only to root proc.
|
||
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!
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#if defined (__PARA)
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!
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INTEGER :: info, n, nbuf, nproc, myid
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INTEGER, PARAMETER :: maxb = __MSGSIZ_MAX
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|
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!
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||
|
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INTEGER :: buff(maxb)
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!
|
||
|
|
#if defined __TRACE
|
||
|
|
write(*,*) 'reduce_base_integer IN'
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#endif
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CALL mpi_comm_size( comm, nproc, info )
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|
|
IF( info /= 0 ) CALL errore( 'reduce_base_integer', 'error in mpi_comm_size', info )
|
||
|
|
|
||
|
|
CALL mpi_comm_rank( comm, myid, info )
|
||
|
|
IF( info /= 0 ) CALL errore( 'reduce_base_integer', 'error in mpi_comm_rank', info )
|
||
|
|
!
|
||
|
|
IF ( dim <= 0 .OR. nproc <= 1 ) RETURN
|
||
|
|
!
|
||
|
|
! ... synchronize processes
|
||
|
|
!
|
||
|
|
CALL mpi_barrier( comm, info )
|
||
|
|
IF( info /= 0 ) CALL errore( 'reduce_base_integer', 'error in mpi_barrier', info )
|
||
|
|
!
|
||
|
|
nbuf = dim / maxb
|
||
|
|
!
|
||
|
|
DO n = 1, nbuf
|
||
|
|
!
|
||
|
|
IF( root >= 0 ) THEN
|
||
|
|
CALL MPI_REDUCE( ps(1+(n-1)*maxb), buff, maxb, MPI_INTEGER, MPI_SUM, root, comm, info )
|
||
|
|
CALL errore( 'reduce_base_integer', 'error in mpi_reduce 1', info )
|
||
|
|
ELSE
|
||
|
|
CALL MPI_ALLREDUCE( ps(1+(n-1)*maxb), buff, maxb, MPI_INTEGER, MPI_SUM, comm, info )
|
||
|
|
CALL errore( 'reduce_base_integer', 'error in mpi_allreduce 1', info )
|
||
|
|
END IF
|
||
|
|
!
|
||
|
|
IF( root < 0 ) THEN
|
||
|
|
ps((1+(n-1)*maxb):(n*maxb)) = buff(1:maxb)
|
||
|
|
ELSE IF( root == myid ) THEN
|
||
|
|
ps((1+(n-1)*maxb):(n*maxb)) = buff(1:maxb)
|
||
|
|
END IF
|
||
|
|
!
|
||
|
|
END DO
|
||
|
|
!
|
||
|
|
! ... possible remaining elements < maxb
|
||
|
|
!
|
||
|
|
IF ( ( dim - nbuf * maxb ) > 0 ) THEN
|
||
|
|
!
|
||
|
|
IF( root >= 0 ) THEN
|
||
|
|
CALL MPI_REDUCE( ps(1+nbuf*maxb), buff, (dim-nbuf*maxb), MPI_INTEGER, MPI_SUM, root, comm, info )
|
||
|
|
CALL errore( 'reduce_base_integer', 'error in mpi_reduce 2', info )
|
||
|
|
ELSE
|
||
|
|
CALL MPI_ALLREDUCE( ps(1+nbuf*maxb), buff, (dim-nbuf*maxb), MPI_INTEGER, MPI_SUM, comm, info )
|
||
|
|
CALL errore( 'reduce_base_integer', 'error in mpi_allreduce 2', info )
|
||
|
|
END IF
|
||
|
|
!
|
||
|
|
IF( root < 0 ) THEN
|
||
|
|
ps((1+nbuf*maxb):dim) = buff(1:(dim-nbuf*maxb))
|
||
|
|
ELSE IF( root == myid ) THEN
|
||
|
|
ps((1+nbuf*maxb):dim) = buff(1:(dim-nbuf*maxb))
|
||
|
|
END IF
|
||
|
|
!
|
||
|
|
END IF
|
||
|
|
!
|
||
|
|
#if defined __TRACE
|
||
|
|
write(*,*) 'reduce_base_integer OUT'
|
||
|
|
#endif
|
||
|
|
#endif
|
||
|
|
!
|
||
|
|
RETURN
|
||
|
|
!
|
||
|
|
END SUBROUTINE reduce_base_integer
|
||
|
|
|
||
|
|
!
|
||
|
|
! ... "reduce"-like subroutines
|
||
|
|
!
|
||
|
|
!----------------------------------------------------------------------------
|
||
|
|
SUBROUTINE reduce_base_real_to( dim, ps, psout, comm, root )
|
||
|
|
!----------------------------------------------------------------------------
|
||
|
|
!
|
||
|
|
! ... sums a distributed variable ps(dim) over the processors.
|
||
|
|
! ... This version uses a fixed-length buffer of appropriate (?) dim
|
||
|
|
! ... uses SHMEM if available, MPI otherwhise
|
||
|
|
!
|
||
|
|
USE kinds, ONLY : DP
|
||
|
|
USE parallel_include
|
||
|
|
!
|
||
|
|
IMPLICIT NONE
|
||
|
|
!
|
||
|
|
INTEGER, INTENT(IN) :: dim
|
||
|
|
REAL(DP), INTENT(IN) :: ps(dim)
|
||
|
|
REAL(DP), INTENT(OUT) :: psout(dim)
|
||
|
|
INTEGER, INTENT(IN) :: comm ! communecator
|
||
|
|
INTEGER, INTENT(IN) :: root ! if root < 0 perform a reduction to all procs
|
||
|
|
! if root >= 0 perform a reduce only to root proc.
|
||
|
|
!
|
||
|
|
#if defined (__PARA)
|
||
|
|
!
|
||
|
|
INTEGER :: info, n, nbuf, nproc, myid
|
||
|
|
INTEGER, PARAMETER :: maxb = __MSGSIZ_MAX
|
||
|
|
!
|
||
|
|
#if defined (__SHMEM) && (defined __ALTIX || defined __ORIGIN)
|
||
|
|
INTEGER :: sym_len
|
||
|
|
LOGICAL :: first
|
||
|
|
REAL(DP) :: buff(*), snd_buff(*)
|
||
|
|
POINTER (buff_p, buff), (snd_buff_p, snd_buff)
|
||
|
|
COMMON /sym_heap1/ buff_p, snd_buff_p, sym_len, first
|
||
|
|
#else
|
||
|
|
REAL(DP) :: buff(maxb)
|
||
|
|
#endif
|
||
|
|
!
|
||
|
|
#if defined (__SHMEM)
|
||
|
|
!
|
||
|
|
! ... SHMEM specific
|
||
|
|
!
|
||
|
|
INCLUDE 'mpp/shmem.fh'
|
||
|
|
#if defined (__ALTIX) || defined (__ORIGIN)
|
||
|
|
INTEGER :: pWrkSync(SHMEM_REDUCE_SYNC_SIZE), &
|
||
|
|
pWrkData(1024*1024), start
|
||
|
|
DATA pWrkSync /SHMEM_REDUCE_SYNC_SIZE*SHMEM_SYNC_VALUE/
|
||
|
|
DATA pWrkData / 1048576 * 0 /
|
||
|
|
#else
|
||
|
|
! T3E ? likely obsolete
|
||
|
|
INTEGER :: pWrkSync, pWrkData, start
|
||
|
|
COMMON / SH_SYNC / pWrkSync(SHMEM_BARRIER_SYNC_dim)
|
||
|
|
COMMON / SH_DATA / pWrkData(1024*1024)
|
||
|
|
DATA pWrkData / 1048576 * 0 /
|
||
|
|
DATA pWrkSync / SHMEM_BARRIER_SYNC_dim * SHMEM_SYNC_VALUE /
|
||
|
|
!DIR$ CACHE_ALIGN /SH_SYNC/
|
||
|
|
!DIR$ CACHE_ALIGN /SH_DATA/
|
||
|
|
#endif
|
||
|
|
!
|
||
|
|
#endif
|
||
|
|
!
|
||
|
|
#if defined __TRACE
|
||
|
|
write(*,*) 'reduce_base_real_to IN'
|
||
|
|
#endif
|
||
|
|
|
||
|
|
CALL mpi_comm_size( comm, nproc, info )
|
||
|
|
IF( info /= 0 ) CALL errore( 'reduce_base_real_to', 'error in mpi_comm_size', info )
|
||
|
|
|
||
|
|
CALL mpi_comm_rank( comm, myid, info )
|
||
|
|
IF( info /= 0 ) CALL errore( 'reduce_base_real_to', 'error in mpi_comm_rank', info )
|
||
|
|
|
||
|
|
!
|
||
|
|
IF ( dim <= 0 .OR. nproc <= 1 ) RETURN
|
||
|
|
!
|
||
|
|
! ... synchronize processes
|
||
|
|
!
|
||
|
|
CALL mpi_barrier( comm, info )
|
||
|
|
IF( info /= 0 ) CALL errore( 'reduce_base_real_to', 'error in mpi_barrier', info )
|
||
|
|
!
|
||
|
|
nbuf = dim / maxb
|
||
|
|
!
|
||
|
|
#if defined (__SHMEM)
|
||
|
|
|
||
|
|
#if defined (__ALTIX) || defined (__ORIGIN)
|
||
|
|
IF (dim .GT. sym_len) THEN
|
||
|
|
IF (sym_len .NE. 0) THEN
|
||
|
|
CALL shpdeallc( snd_buff_p, info, -1 )
|
||
|
|
END IF
|
||
|
|
sym_len = dim
|
||
|
|
CALL shpalloc( snd_buff_p, 2*sym_len, info, -1 )
|
||
|
|
END IF
|
||
|
|
IF (first .NE. .TRUE.) THEN
|
||
|
|
CALL shpalloc( buff_p, 2*maxb, info, -1 )
|
||
|
|
first = .TRUE.
|
||
|
|
END IF
|
||
|
|
snd_buff(1:dim) = ps(1:dim)
|
||
|
|
#endif
|
||
|
|
!
|
||
|
|
start = myid * nproc
|
||
|
|
!
|
||
|
|
#endif
|
||
|
|
!
|
||
|
|
DO n = 1, nbuf
|
||
|
|
!
|
||
|
|
#if defined (__SHMEM)
|
||
|
|
!
|
||
|
|
#if defined (__ALTIX) || defined (__ORIGIN)
|
||
|
|
CALL SHMEM_REAL8_SUM_TO_ALL( buff, snd_buff(1+(n-1)*maxb), maxb, &
|
||
|
|
start, 0, nproc, pWrkData, pWrkSync )
|
||
|
|
#else
|
||
|
|
CALL SHMEM_REAL8_SUM_TO_ALL( buff, ps(1+(n-1)*maxb), maxb, &
|
||
|
|
start, 0, nproc, pWrkData, pWrkSync )
|
||
|
|
#endif
|
||
|
|
!
|
||
|
|
IF( root < 0 ) THEN
|
||
|
|
psout((1+(n-1)*maxb):(n*maxb)) = buff(1:maxb)
|
||
|
|
ELSE IF( root == myid ) THEN
|
||
|
|
psout((1+(n-1)*maxb):(n*maxb)) = buff(1:maxb)
|
||
|
|
END IF
|
||
|
|
!
|
||
|
|
#else
|
||
|
|
!
|
||
|
|
IF( root >= 0 ) THEN
|
||
|
|
CALL MPI_REDUCE( ps(1+(n-1)*maxb), psout(1+(n-1)*maxb), maxb, MPI_DOUBLE_PRECISION, MPI_SUM, root, comm, info )
|
||
|
|
CALL errore( 'reduce_base_real_to', 'error in mpi_reduce 1', info )
|
||
|
|
ELSE
|
||
|
|
CALL MPI_ALLREDUCE( ps(1+(n-1)*maxb), psout(1+(n-1)*maxb), maxb, MPI_DOUBLE_PRECISION, MPI_SUM, comm, info )
|
||
|
|
CALL errore( 'reduce_base_real_to', 'error in mpi_allreduce 1', info )
|
||
|
|
END IF
|
||
|
|
!
|
||
|
|
#endif
|
||
|
|
!
|
||
|
|
END DO
|
||
|
|
!
|
||
|
|
! ... possible remaining elements < maxb
|
||
|
|
!
|
||
|
|
IF ( ( dim - nbuf * maxb ) > 0 ) THEN
|
||
|
|
!
|
||
|
|
#if defined (__SHMEM)
|
||
|
|
!
|
||
|
|
#if defined (__ALTIX) || defined (__ORIGIN)
|
||
|
|
CALL SHMEM_REAL8_SUM_TO_ALL( buff, snd_buff(1+nbuf*maxb), &
|
||
|
|
& (dim-nbuf*maxb), start, 0, nproc,&
|
||
|
|
& pWrkData, pWrkSync )
|
||
|
|
#else
|
||
|
|
CALL SHMEM_REAL8_SUM_TO_ALL( buff, ps(1+nbuf*maxb), (dim-nbuf*maxb), &
|
||
|
|
start, 0, nproc, pWrkData, pWrkSync )
|
||
|
|
#endif
|
||
|
|
!
|
||
|
|
IF( root < 0 ) THEN
|
||
|
|
ps((1+nbuf*maxb):dim) = buff(1:(dim-nbuf*maxb))
|
||
|
|
ELSE IF( root == myid ) THEN
|
||
|
|
ps((1+nbuf*maxb):dim) = buff(1:(dim-nbuf*maxb))
|
||
|
|
END IF
|
||
|
|
!
|
||
|
|
#else
|
||
|
|
!
|
||
|
|
IF( root >= 0 ) THEN
|
||
|
|
CALL MPI_REDUCE( ps(1+nbuf*maxb), psout(1+nbuf*maxb), (dim-nbuf*maxb), MPI_DOUBLE_PRECISION, MPI_SUM, root, comm, info )
|
||
|
|
CALL errore( 'reduce_base_real_to', 'error in mpi_reduce 2', info )
|
||
|
|
ELSE
|
||
|
|
CALL MPI_ALLREDUCE( ps(1+nbuf*maxb), psout(1+nbuf*maxb), (dim-nbuf*maxb), MPI_DOUBLE_PRECISION, MPI_SUM, comm, info )
|
||
|
|
CALL errore( 'reduce_base_real_to', 'error in mpi_allreduce 2', info )
|
||
|
|
END IF
|
||
|
|
!
|
||
|
|
#endif
|
||
|
|
!
|
||
|
|
END IF
|
||
|
|
!
|
||
|
|
#if defined __TRACE
|
||
|
|
write(*,*) 'reduce_base_real_to OUT'
|
||
|
|
#endif
|
||
|
|
#endif
|
||
|
|
!
|
||
|
|
RETURN
|
||
|
|
!
|
||
|
|
END SUBROUTINE reduce_base_real_to
|
||
|
|
!
|
||
|
|
!
|
||
|
|
!
|
||
|
|
!----------------------------------------------------------------------------
|
||
|
|
SUBROUTINE reduce_base_integer_to( dim, ps, psout, comm, root )
|
||
|
|
!----------------------------------------------------------------------------
|
||
|
|
!
|
||
|
|
! ... sums a distributed variable ps(dim) over the processors.
|
||
|
|
! ... This version uses a fixed-length buffer of appropriate (?) dim
|
||
|
|
! ... uses SHMEM if available, MPI otherwhise
|
||
|
|
!
|
||
|
|
USE kinds, ONLY : DP
|
||
|
|
USE parallel_include
|
||
|
|
!
|
||
|
|
IMPLICIT NONE
|
||
|
|
!
|
||
|
|
INTEGER, INTENT(IN) :: dim
|
||
|
|
INTEGER, INTENT(IN) :: ps(dim)
|
||
|
|
INTEGER, INTENT(OUT) :: psout(dim)
|
||
|
|
INTEGER, INTENT(IN) :: comm ! communecator
|
||
|
|
INTEGER, INTENT(IN) :: root ! if root < 0 perform a reduction to all procs
|
||
|
|
! if root >= 0 perform a reduce only to root proc.
|
||
|
|
!
|
||
|
|
#if defined (__PARA)
|
||
|
|
!
|
||
|
|
INTEGER :: info, n, nbuf, nproc, myid
|
||
|
|
INTEGER, PARAMETER :: maxb = __MSGSIZ_MAX
|
||
|
|
!
|
||
|
|
INTEGER :: buff(maxb)
|
||
|
|
!
|
||
|
|
#if defined __TRACE
|
||
|
|
write(*,*) 'reduce_base_integer_to IN'
|
||
|
|
#endif
|
||
|
|
CALL mpi_comm_size( comm, nproc, info )
|
||
|
|
IF( info /= 0 ) CALL errore( 'reduce_base_integer_to', 'error in mpi_comm_size', info )
|
||
|
|
|
||
|
|
CALL mpi_comm_rank( comm, myid, info )
|
||
|
|
IF( info /= 0 ) CALL errore( 'reduce_base_integer_to', 'error in mpi_comm_rank', info )
|
||
|
|
!
|
||
|
|
IF ( dim <= 0 .OR. nproc <= 1 ) RETURN
|
||
|
|
!
|
||
|
|
! ... synchronize processes
|
||
|
|
!
|
||
|
|
CALL mpi_barrier( comm, info )
|
||
|
|
IF( info /= 0 ) CALL errore( 'reduce_base_integer_to', 'error in mpi_barrier', info )
|
||
|
|
!
|
||
|
|
nbuf = dim / maxb
|
||
|
|
!
|
||
|
|
DO n = 1, nbuf
|
||
|
|
!
|
||
|
|
IF( root >= 0 ) THEN
|
||
|
|
CALL MPI_REDUCE( ps(1+(n-1)*maxb), psout( 1+(n-1)*maxb ), maxb, MPI_INTEGER, MPI_SUM, root, comm, info )
|
||
|
|
CALL errore( 'reduce_base_integer_to', 'error in mpi_reduce 1', info )
|
||
|
|
ELSE
|
||
|
|
CALL MPI_ALLREDUCE( ps(1+(n-1)*maxb), psout( 1+(n-1)*maxb ), maxb, MPI_INTEGER, MPI_SUM, comm, info )
|
||
|
|
CALL errore( 'reduce_base_integer_to', 'error in mpi_allreduce 1', info )
|
||
|
|
END IF
|
||
|
|
!
|
||
|
|
END DO
|
||
|
|
!
|
||
|
|
! ... possible remaining elements < maxb
|
||
|
|
!
|
||
|
|
IF ( ( dim - nbuf * maxb ) > 0 ) THEN
|
||
|
|
!
|
||
|
|
IF( root >= 0 ) THEN
|
||
|
|
CALL MPI_REDUCE( ps(1+nbuf*maxb), psout(1+nbuf*maxb), (dim-nbuf*maxb), MPI_INTEGER, MPI_SUM, root, comm, info )
|
||
|
|
CALL errore( 'reduce_base_integer_to', 'error in mpi_reduce 2', info )
|
||
|
|
ELSE
|
||
|
|
CALL MPI_ALLREDUCE( ps(1+nbuf*maxb), psout(1+nbuf*maxb), (dim-nbuf*maxb), MPI_INTEGER, MPI_SUM, comm, info )
|
||
|
|
CALL errore( 'reduce_base_integer_to', 'error in mpi_allreduce 2', info )
|
||
|
|
END IF
|
||
|
|
!
|
||
|
|
END IF
|
||
|
|
!
|
||
|
|
#if defined __TRACE
|
||
|
|
write(*,*) 'reduce_base_integer_to OUT'
|
||
|
|
#endif
|
||
|
|
#endif
|
||
|
|
!
|
||
|
|
RETURN
|
||
|
|
!
|
||
|
|
END SUBROUTINE reduce_base_integer_to
|