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|
!
! Copyright (C) 2011 Quantum ESPRESSO group
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
! or http://www.gnu.org/copyleft/gpl.txt .
!
!=----------------------------------------------------------------------=
MODULE stick_set
!=----------------------------------------------------------------------=
! ... Distribute G-vectors across processors as sticks and planes,
! ... initialize FFT descriptors for both dense and smooth grids
! ... Most important dependencies: next three modules
USE stick_base
!
USE kinds, ONLY: DP
USE io_global, ONLY: ionode, stdout
USE fft_types, ONLY: fft_dlay_descriptor, fft_dlay_allocate, &
fft_dlay_set, fft_dlay_scalar
IMPLICIT NONE
PRIVATE
SAVE
PUBLIC :: pstickset, pstickset_custom
!=----------------------------------------------------------------------=
CONTAINS
!=----------------------------------------------------------------------=
SUBROUTINE pstickset( gamma_only, bg, gcut, gkcut, gcuts, &
dfftp, dffts, ngw, ngm, ngs, mype, root, nproc, comm, nogrp_ )
LOGICAL, INTENT(in) :: gamma_only
! ... bg(:,1), bg(:,2), bg(:,3) reciprocal space base vectors.
REAL(DP), INTENT(in) :: bg(3,3)
REAL(DP), INTENT(in) :: gcut, gkcut, gcuts
TYPE(fft_dlay_descriptor), INTENT(inout) :: dfftp, dffts
INTEGER, INTENT(out) :: ngw, ngm, ngs
INTEGER, INTENT(IN) :: mype, root, nproc, comm
INTEGER, INTENT(IN) :: nogrp_
LOGICAL :: tk
INTEGER :: ub(3), lb(3)
! ... ub(i), lb(i) upper and lower miller indexes
!
! ... Plane Waves
!
INTEGER, ALLOCATABLE :: stw(:,:)
! ... stick map (wave functions), stw(i,j) = number of G-vector in the
! ... stick whose x and y miller index are i and j
INTEGER, ALLOCATABLE :: nstpw(:)
! ... number of sticks (wave functions), nstpw(ip) = number of stick
! ... for processor ip
INTEGER, ALLOCATABLE :: sstpw(:)
! ... number of G-vectors (wave functions), sstpw(ip) = sum of the
! ... sticks length for processor ip = number of G-vectors
! ... owned by the processor ip
INTEGER :: nstw, nstpwx
! ... nstw local number of sticks (wave functions)
! ... nstpwx maximum among all processors of nstw
!
! ... Potentials
!
INTEGER, ALLOCATABLE :: st(:,:)
! ... stick map (potentials), st(i,j) = number of G-vector in the
! ... stick whose x and y miller index are i and j
INTEGER, ALLOCATABLE :: nstp(:)
! ... number of sticks (potentials), nstp(ip) = number of stick
! ... for processor ip
INTEGER, ALLOCATABLE :: sstp(:)
! ... number of G-vectors (potentials), sstp(ip) = sum of the
! ... sticks length for processor ip = number of G-vectors
! ... owned by the processor ip
INTEGER :: nst, nstpx
! ... nst local number of sticks (potentials)
! ... nstpx maximum among all processors of nst
!
! ... Smooth Mesh
!
INTEGER, ALLOCATABLE :: sts(:,:)
! ... stick map (smooth mesh), sts(i,j) = number of G-vector in the
! ... stick whose x and y miller index are i and j
INTEGER, ALLOCATABLE :: nstps(:)
! ... number of sticks (smooth mesh), nstp(ip) = number of stick
! ... for processor ip
INTEGER, ALLOCATABLE :: sstps(:)
! ... number of G-vectors (smooth mesh), sstps(ip) = sum of the
! ... sticks length for processor ip = number of G-vectors
! ... owned by the processor ip
INTEGER :: nsts
! ... nsts local number of sticks (smooth mesh)
INTEGER, ALLOCATABLE :: ist(:,:) ! sticks indices ordered
INTEGER :: ip, ngm_ , ngs_
INTEGER, ALLOCATABLE :: idx(:)
tk = .not. gamma_only
ub(1) = ( dfftp%nr1 - 1 ) / 2
ub(2) = ( dfftp%nr2 - 1 ) / 2
ub(3) = ( dfftp%nr3 - 1 ) / 2
lb = - ub
! ... Allocate maps
ALLOCATE( stw ( lb(1):ub(1), lb(2):ub(2) ) )
ALLOCATE( st ( lb(1):ub(1), lb(2):ub(2) ) )
ALLOCATE( sts ( lb(1):ub(1), lb(2):ub(2) ) )
st = 0
stw = 0
sts = 0
! ... Fill in the stick maps, for given g-space base and cut-off
CALL sticks_maps( tk, ub, lb, bg(:,1), bg(:,2), bg(:,3), &
gcut, gkcut, gcuts, st, stw, sts, mype, &
nproc, comm )
! ... Now count the number of stick nst and nstw
nst = count( st > 0 )
nstw = count( stw > 0 )
nsts = count( sts > 0 )
ALLOCATE(ist(nst,5))
ALLOCATE(nstp(nproc))
ALLOCATE(sstp(nproc))
ALLOCATE(nstpw(nproc))
ALLOCATE(sstpw(nproc))
ALLOCATE(nstps(nproc))
ALLOCATE(sstps(nproc))
! ... initialize the sticks indexes array ist
CALL sticks_countg( tk, ub, lb, st, stw, sts, &
ist(:,1), ist(:,2), ist(:,4), ist(:,3), ist(:,5) )
! ... Sorts the sticks according to their length
ALLOCATE( idx( nst ) )
CALL sticks_sort( ist(:,4), ist(:,3), ist(:,5), nst, idx, nproc )
! ... Set as first stick the stick containing the G=0
!
! DO iss = 1, nst
! IF( ist( idx( iss ), 1 ) == 0 .AND. ist( idx( iss ), 2 ) == 0 ) EXIT
! END DO
! itmp = idx( 1 )
! idx( 1 ) = idx( iss )
! idx( iss ) = itmp
CALL sticks_dist( tk, ub, lb, idx, ist(:,1), ist(:,2), ist(:,4), ist(:,3), ist(:,5), &
nst, nstp, nstpw, nstps, sstp, sstpw, sstps, st, stw, sts, nproc )
ngw = sstpw( mype + 1 )
ngm = sstp( mype + 1 )
ngs = sstps( mype + 1 )
CALL sticks_pairup( tk, ub, lb, idx, ist(:,1), ist(:,2), ist(:,4), ist(:,3), ist(:,5), &
nst, nstp, nstpw, nstps, sstp, sstpw, sstps, st, stw, sts, nproc )
! ... Allocate and Set fft data layout descriptors
#if defined __MPI
CALL fft_dlay_allocate( dfftp, mype, root, nproc, comm, nogrp_ , dfftp%nr1x, dfftp%nr2x )
CALL fft_dlay_allocate( dffts, mype, root, nproc, comm, nogrp_ , dffts%nr1x, dffts%nr2x )
CALL fft_dlay_set( dfftp, tk, nst, dfftp%nr1, dfftp%nr2, dfftp%nr3, dfftp%nr1x, dfftp%nr2x, dfftp%nr3x, &
ub, lb, idx, ist(:,1), ist(:,2), nstp, nstpw, sstp, sstpw, st, stw )
CALL fft_dlay_set( dffts, tk, nsts, dffts%nr1, dffts%nr2, dffts%nr3, dffts%nr1x, dffts%nr2x, dffts%nr3x, &
ub, lb, idx, ist(:,1), ist(:,2), nstps, nstpw, sstps, sstpw, sts, stw )
#else
DEALLOCATE( stw )
ALLOCATE( stw( lb(2) : ub(2), lb(3) : ub(3) ) )
CALL sticks_maps_scalar( (.not.tk), ub, lb, bg(:,1),bg(:,2),bg(:,3),&
gcut, gkcut, gcuts, stw, ngm_ , ngs_ )
IF( ngm_ /= ngm ) CALL errore( ' pstickset ', ' inconsistent ngm ', abs( ngm - ngm_ ) )
IF( ngs_ /= ngs ) CALL errore( ' pstickset ', ' inconsistent ngs ', abs( ngs - ngs_ ) )
CALL fft_dlay_allocate( dfftp, mype, root, nproc, comm, 1, max(dfftp%nr1x, dfftp%nr3x), dfftp%nr2x )
CALL fft_dlay_allocate( dffts, mype, root, nproc, comm, 1, max(dffts%nr1x, dffts%nr3x), dffts%nr2x )
CALL fft_dlay_scalar( dfftp, ub, lb, dfftp%nr1, dfftp%nr2, dfftp%nr3, dfftp%nr1x, dfftp%nr2x, dfftp%nr3x, stw )
CALL fft_dlay_scalar( dffts, ub, lb, dffts%nr1, dffts%nr2, dffts%nr3, dffts%nr1x, dffts%nr2x, dffts%nr3x, stw )
#endif
! ... Maximum number of sticks (potentials)
nstpx = maxval( nstp )
! ... Maximum number of sticks (wave func.)
nstpwx = maxval( nstpw )
IF( dffts%have_task_groups ) THEN
!
! Initialize task groups.
! Note that this call modify dffts adding task group data.
!
CALL task_groups_init( dffts )
!
END IF
IF (ionode) THEN
WRITE( stdout,*)
IF ( nproc > 1 ) THEN
WRITE( stdout, '(5X,"Parallelization info")')
ELSE
WRITE( stdout, '(5X,"G-vector sticks info")')
ENDIF
WRITE( stdout, '(5X,"--------------------")')
WRITE( stdout, '(5X,"sticks: dense smooth PW", &
& 5X,"G-vecs: dense smooth PW")')
IF ( nproc > 1 ) THEN
WRITE( stdout,'(5X,"Min",4X,2I8,I7,12X,2I9,I8)') &
minval(nstp), minval(nstps), minval(nstpw), &
minval(sstp), minval(sstps), minval(sstpw)
WRITE( stdout,'(5X,"Max",4X,2I8,I7,12X,2I9,I8)') &
maxval(nstp), maxval(nstps), maxval(nstpw), &
maxval(sstp), maxval(sstps), maxval(sstpw)
END IF
WRITE( stdout,'(5X,"Sum",4X,2I8,I7,12X,2I9,I8)') &
sum(nstp), sum(nstps), sum(nstpw), &
sum(sstp), sum(sstps), sum(sstpw)
! in the case k=0, the lines above and below differ:
! above all sticks, below only those in the half sphere
IF ( .NOT. tk ) &
WRITE( stdout,'(5X,"Tot",4X,2I8,I7)') nst, nsts, nstw
ENDIF
DEALLOCATE( ist )
DEALLOCATE( idx )
DEALLOCATE( st, stw, sts )
DEALLOCATE( sstp )
DEALLOCATE( nstp )
DEALLOCATE( sstpw )
DEALLOCATE( nstpw )
DEALLOCATE( sstps )
DEALLOCATE( nstps )
IF(ionode) WRITE( stdout,*)
RETURN
END SUBROUTINE pstickset
!----------------------------------------------------------------------
SUBROUTINE pstickset_custom( gamma_only, bg, gcut, gkcut, gcuts, &
dfftp, dffts, ngw, ngm, ngs, mype, root, nproc, comm, nogrp_ )
LOGICAL, INTENT(in) :: gamma_only
! ... bg(:,1), bg(:,2), bg(:,3) reciprocal space base vectors.
REAL(DP), INTENT(in) :: bg(3,3)
REAL(DP), INTENT(in) :: gcut, gkcut, gcuts
TYPE(fft_dlay_descriptor), INTENT(inout) :: dfftp, dffts
INTEGER, INTENT(inout) :: ngw, ngm, ngs
INTEGER, INTENT(IN) :: mype, root, nproc, comm
INTEGER, INTENT(IN) :: nogrp_
LOGICAL :: tk
INTEGER :: ub(3), lb(3)
! ... ub(i), lb(i) upper and lower miller indexes
!
! ... Plane Waves
!
INTEGER, ALLOCATABLE :: stw(:,:)
! ... stick map (wave functions), stw(i,j) = number of G-vector in the
! ... stick whose x and y miller index are i and j
INTEGER, ALLOCATABLE :: nstpw(:)
! ... number of sticks (wave functions), nstpw(ip) = number of stick
! ... for processor ip
INTEGER, ALLOCATABLE :: sstpw(:)
! ... number of G-vectors (wave functions), sstpw(ip) = sum of the
! ... sticks length for processor ip = number of G-vectors
! ... owned by the processor ip
INTEGER :: nstw, nstpwx
! ... nstw local number of sticks (wave functions)
! ... nstpwx maximum among all processors of nstw
!
! ... Potentials
!
INTEGER, ALLOCATABLE :: st(:,:)
! ... stick map (potentials), st(i,j) = number of G-vector in the
! ... stick whose x and y miller index are i and j
INTEGER, ALLOCATABLE :: nstp(:)
! ... number of sticks (potentials), nstp(ip) = number of stick
! ... for processor ip
INTEGER, ALLOCATABLE :: sstp(:)
! ... number of G-vectors (potentials), sstp(ip) = sum of the
! ... sticks length for processor ip = number of G-vectors
! ... owned by the processor ip
INTEGER :: nst, nstpx
! ... nst local number of sticks (potentials)
! ... nstpx maximum among all processors of nst
!
! ... Smooth Mesh
!
INTEGER, ALLOCATABLE :: sts(:,:)
! ... stick map (smooth mesh), sts(i,j) = number of G-vector in the
! ... stick whose x and y miller index are i and j
INTEGER, ALLOCATABLE :: nstps(:)
! ... number of sticks (smooth mesh), nstp(ip) = number of stick
! ... for processor ip
INTEGER, ALLOCATABLE :: sstps(:)
! ... number of G-vectors (smooth mesh), sstps(ip) = sum of the
! ... sticks length for processor ip = number of G-vectors
! ... owned by the processor ip
INTEGER :: nsts
! ... nsts local number of sticks (smooth mesh)
INTEGER, ALLOCATABLE :: ist(:,:) ! sticks indices ordered
INTEGER :: ip, ngm_ , ngs_
INTEGER, ALLOCATABLE :: idx(:)
tk = .not. gamma_only
ub(1) = ( dfftp%nr1 - 1 ) / 2
ub(2) = ( dfftp%nr2 - 1 ) / 2
ub(3) = ( dfftp%nr3 - 1 ) / 2
lb = - ub
! ... Allocate maps
ALLOCATE( stw ( lb(1):ub(1), lb(2):ub(2) ) )
ALLOCATE( st ( lb(1):ub(1), lb(2):ub(2) ) )
ALLOCATE( sts ( lb(1):ub(1), lb(2):ub(2) ) )
st = 0
stw = 0
sts = 0
! ... Fill in the stick maps, for given g-space base and cut-off
CALL sticks_maps( tk, ub, lb, bg(:,1), bg(:,2), bg(:,3), &
gcut, gkcut, gcuts, st, stw, sts, mype, &
nproc, comm )
! ... Now count the number of stick nst and nstw
nst = count( st > 0 )
nstw = count( stw > 0 )
nsts = count( sts > 0 )
ALLOCATE(ist(nst,5))
ALLOCATE(nstp(nproc))
ALLOCATE(sstp(nproc))
ALLOCATE(nstpw(nproc))
ALLOCATE(sstpw(nproc))
ALLOCATE(nstps(nproc))
ALLOCATE(sstps(nproc))
! ... initialize the sticks indexes array ist
CALL sticks_countg( tk, ub, lb, st, stw, sts, &
ist(:,1), ist(:,2), ist(:,4), ist(:,3), ist(:,5) )
! ... Sorts the sticks according to their length
ALLOCATE( idx( nst ) )
CALL sticks_sort( ist(:,4), ist(:,3), ist(:,5), nst, idx, nproc )
! ... Distribute the sticks as in dfftp
CALL sticks_ordered_dist( tk, ub, lb, idx, ist(:,1), ist(:,2), ist(:,4), ist(:,3), ist(:,5), &
nst, nstp, nstpw, nstps, sstp, sstpw, sstps, st, stw, sts, nproc )
ngw = sstpw( mype + 1 )
ngm = sstp( mype + 1 )
ngs = sstps( mype + 1 )
CALL sticks_pairup( tk, ub, lb, idx, ist(:,1), ist(:,2), ist(:,4), ist(:,3), ist(:,5), &
nst, nstp, nstpw, nstps, sstp, sstpw, sstps, st, stw, sts, nproc )
! ... Allocate and Set fft data layout descriptors
#if defined __MPI
CALL fft_dlay_allocate( dffts, mype, root, nproc, comm, nogrp_ , dffts%nr1x, dffts%nr2x )
CALL fft_dlay_set( dffts, tk, nsts, dffts%nr1, dffts%nr2, dffts%nr3, dffts%nr1x, dffts%nr2x, dffts%nr3x, &
ub, lb, idx, ist(:,1), ist(:,2), nstps, nstpw, sstps, sstpw, sts, stw )
#else
DEALLOCATE( stw )
ALLOCATE( stw( lb(2) : ub(2), lb(3) : ub(3) ) )
CALL sticks_maps_scalar( (.not.tk), ub, lb, bg(:,1),bg(:,2),bg(:,3),&
gcut, gkcut, gcuts, stw, ngm_ , ngs_ )
IF( ngs_ /= ngs ) CALL errore( ' pstickset_custom ', ' inconsistent ngs ', abs( ngs - ngs_ ) )
CALL fft_dlay_allocate( dffts, mype, root, nproc, comm, 1, max(dffts%nr1x, dffts%nr3x), dffts%nr2x )
CALL fft_dlay_scalar( dffts, ub, lb, dffts%nr1, dffts%nr2, dffts%nr3, dffts%nr1x, dffts%nr2x, dffts%nr3x, stw )
#endif
! ... Maximum number of sticks (potentials)
nstpx = maxval( nstp )
! ... Maximum number of sticks (wave func.)
nstpwx = maxval( nstpw )
! IF( dffts%have_task_groups ) THEN
!
! Initialize task groups.
! Note that this call modify dffts adding task group data.
!
! CALL task_groups_init( dffts )
!
! END IF
!!$ IF (ionode) THEN
!!$ WRITE( stdout,*)
!!$ IF ( nproc > 1 ) THEN
!!$ WRITE( stdout, '(5X,"Parallelization info")')
!!$ ELSE
!!$ WRITE( stdout, '(5X,"G-vector sticks info")')
!!$ ENDIF
!!$ WRITE( stdout, '(5X,"--------------------")')
!!$ WRITE( stdout, '(5X,"sticks: dense smooth PW", &
!!$ & 5X,"G-vecs: dense smooth PW")')
!!$ IF ( nproc > 1 ) THEN
!!$ WRITE( stdout,'(5X,"Min",4X,2I8,I7,12X,2I9,I8)') &
!!$ minval(nstp), minval(nstps), minval(nstpw), &
!!$ minval(sstp), minval(sstps), minval(sstpw)
!!$ WRITE( stdout,'(5X,"Max",4X,2I8,I7,12X,2I9,I8)') &
!!$ maxval(nstp), maxval(nstps), maxval(nstpw), &
!!$ maxval(sstp), maxval(sstps), maxval(sstpw)
!!$ END IF
!!$ WRITE( stdout,'(5X,"Sum",4X,2I8,I7,12X,2I9,I8)') &
!!$ sum(nstp), sum(nstps), sum(nstpw), &
!!$ sum(sstp), sum(sstps), sum(sstpw)
!!$ ! in the case k=0, the lines above and below differ:
!!$ ! above all sticks, below only those in the half sphere
!!$ IF ( .NOT. tk ) &
!!$ WRITE( stdout,'(5X,"Tot",4X,2I8,I7)') nst, nsts, nstw
!!$ ENDIF
DEALLOCATE( ist )
DEALLOCATE( idx )
DEALLOCATE( st, stw, sts )
DEALLOCATE( sstp )
DEALLOCATE( nstp )
DEALLOCATE( sstpw )
DEALLOCATE( nstpw )
DEALLOCATE( sstps )
DEALLOCATE( nstps )
IF(ionode) WRITE( stdout,*)
RETURN
END SUBROUTINE pstickset_custom
!-----------------------------------------
! Task groups Contributed by C. Bekas, October 2005
! Revised by C. Cavazzoni
!--------------------------------------------
SUBROUTINE task_groups_init( dffts )
USE parallel_include
!
USE io_global, ONLY : stdout
USE fft_types, ONLY : fft_dlay_descriptor
! T.G.
! NPGRP: Number of processors per group
! NOGRP: Number of processors per orbital task group
IMPLICIT NONE
TYPE(fft_dlay_descriptor), INTENT(inout) :: dffts
!----------------------------------
!Local Variables declaration
!----------------------------------
INTEGER :: I
INTEGER :: IERR
INTEGER :: num_planes, num_sticks
INTEGER :: nnrsx_vec ( dffts%nproc )
INTEGER :: pgroup( dffts%nproc )
INTEGER :: strd
CALL task_groups_init_first( dffts )
!
#ifdef DEBUG
IF ( dffts%nogrp > 1 ) WRITE( stdout, 100 ) dffts%nogrp, dffts%npgrp
100 FORMAT( /,3X,'Task Groups are in USE',/,3X,'groups and procs/group : ',I5,I5 )
#endif
!Find maximum chunk of local data concerning coefficients of eigenfunctions in g-space
#if defined __MPI
CALL MPI_Allgather( dffts%nnr, 1, MPI_INTEGER, nnrsx_vec, 1, MPI_INTEGER, dffts%comm, IERR)
strd = maxval( nnrsx_vec( 1:dffts%nproc ) )
#else
strd = dffts%nnr
#endif
IF( strd /= dffts%tg_nnr ) CALL errore( ' task_groups_init ', ' inconsistent nnr ', 1 )
!-------------------------------------------------------------------------------------
!C. Bekas...TASK GROUP RELATED. FFT DATA STRUCTURES ARE ALREADY DEFINED ABOVE
!-------------------------------------------------------------------------------------
!dfft%nsw(me) holds the number of z-sticks for the current processor per wave-function
!We can either send these in the group with an mpi_allgather...or put the
!in the PSIS vector (in special positions) and send them with them.
!Otherwise we can do this once at the beginning, before the loop.
!we choose to do the latter one.
!-------------------------------------------------------------------------------------
!
!
ALLOCATE( dffts%tg_nsw(dffts%nproc))
ALLOCATE( dffts%tg_npp(dffts%nproc))
num_sticks = 0
num_planes = 0
DO i = 1, dffts%nogrp
num_sticks = num_sticks + dffts%nsw( dffts%nolist(i) + 1 )
num_planes = num_planes + dffts%npp( dffts%nolist(i) + 1 )
ENDDO
#if defined __MPI
CALL MPI_ALLGATHER(num_sticks, 1, MPI_INTEGER, dffts%tg_nsw(1), 1, MPI_INTEGER, dffts%comm, IERR)
CALL MPI_ALLGATHER(num_planes, 1, MPI_INTEGER, dffts%tg_npp(1), 1, MPI_INTEGER, dffts%comm, IERR)
#else
dffts%tg_nsw(1) = num_sticks
dffts%tg_npp(1) = num_planes
#endif
ALLOCATE( dffts%tg_snd( dffts%nogrp ) )
ALLOCATE( dffts%tg_rcv( dffts%nogrp ) )
ALLOCATE( dffts%tg_psdsp( dffts%nogrp ) )
ALLOCATE( dffts%tg_usdsp( dffts%nogrp ) )
ALLOCATE( dffts%tg_rdsp( dffts%nogrp ) )
dffts%tg_snd(1) = dffts%nr3x * dffts%nsw( dffts%mype + 1 )
IF( dffts%nr3x * dffts%nsw( dffts%mype + 1 ) > dffts%tg_nnr ) THEN
CALL errore( ' task_groups_init ', ' inconsistent dffts%tg_nnr ', 1 )
ENDIF
dffts%tg_psdsp(1) = 0
dffts%tg_usdsp(1) = 0
dffts%tg_rcv(1) = dffts%nr3x * dffts%nsw( dffts%nolist(1) + 1 )
dffts%tg_rdsp(1) = 0
DO i = 2, dffts%nogrp
dffts%tg_snd(i) = dffts%nr3x * dffts%nsw( dffts%mype + 1 )
dffts%tg_psdsp(i) = dffts%tg_psdsp(i-1) + dffts%tg_nnr
dffts%tg_usdsp(i) = dffts%tg_usdsp(i-1) + dffts%tg_snd(i-1)
dffts%tg_rcv(i) = dffts%nr3x * dffts%nsw( dffts%nolist(i) + 1 )
dffts%tg_rdsp(i) = dffts%tg_rdsp(i-1) + dffts%tg_rcv(i-1)
ENDDO
RETURN
END SUBROUTINE task_groups_init
!
SUBROUTINE task_groups_init_first( dffts )
USE parallel_include
!
USE fft_types, ONLY : fft_dlay_descriptor
!
IMPLICIT NONE
!
TYPE(fft_dlay_descriptor), INTENT(inout) :: dffts
!
INTEGER :: i, n1, ipos, color, key, ierr, itsk, ntsk
INTEGER :: pgroup( dffts%nproc )
!
!SUBDIVIDE THE PROCESSORS IN GROUPS
!
DO i = 1, dffts%nproc
pgroup( i ) = i - 1
ENDDO
!
!LIST OF PROCESSORS IN MY ORBITAL GROUP
!
! processors in these group have contiguous indexes
!
n1 = ( dffts%mype / dffts%nogrp ) * dffts%nogrp - 1
DO i = 1, dffts%nogrp
dffts%nolist( i ) = pgroup( n1 + i + 1 )
IF( dffts%mype == dffts%nolist( i ) ) ipos = i - 1
ENDDO
!
!LIST OF PROCESSORS IN MY PLANE WAVE GROUP
!
DO I = 1, dffts%npgrp
dffts%nplist( i ) = pgroup( ipos + ( i - 1 ) * dffts%nogrp + 1 )
ENDDO
!
!SET UP THE GROUPS
!
!
!CREATE ORBITAL GROUPS
!
#if defined __MPI
color = dffts%mype / dffts%nogrp
key = MOD( dffts%mype , dffts%nogrp )
CALL MPI_COMM_SPLIT( dffts%comm, color, key, dffts%ogrp_comm, ierr )
if( ierr /= 0 ) &
CALL errore( ' task_groups_init_first ', ' creating ogrp_comm ', ABS(ierr) )
CALL MPI_COMM_RANK( dffts%ogrp_comm, itsk, IERR )
CALL MPI_COMM_SIZE( dffts%ogrp_comm, ntsk, IERR )
IF( dffts%nogrp /= ntsk ) CALL errore( ' task_groups_init_first ', ' ogrp_comm size ', ntsk )
DO i = 1, dffts%nogrp
IF( dffts%mype == dffts%nolist( i ) ) THEN
IF( (i-1) /= itsk ) CALL errore( ' task_groups_init_first ', ' ogrp_comm rank ', itsk )
END IF
END DO
#endif
!
!CREATE PLANEWAVE GROUPS
!
#if defined __MPI
color = MOD( dffts%mype , dffts%nogrp )
key = dffts%mype / dffts%nogrp
CALL MPI_COMM_SPLIT( dffts%comm, color, key, dffts%pgrp_comm, ierr )
if( ierr /= 0 ) &
CALL errore( ' task_groups_init_first ', ' creating pgrp_comm ', ABS(ierr) )
CALL MPI_COMM_RANK( dffts%pgrp_comm, itsk, IERR )
CALL MPI_COMM_SIZE( dffts%pgrp_comm, ntsk, IERR )
IF( dffts%npgrp /= ntsk ) CALL errore( ' task_groups_init_first ', ' pgrp_comm size ', ntsk )
DO i = 1, dffts%npgrp
IF( dffts%mype == dffts%nplist( i ) ) THEN
IF( (i-1) /= itsk ) CALL errore( ' task_groups_init_first ', ' pgrp_comm rank ', itsk )
END IF
END DO
dffts%me_pgrp = itsk
#endif
RETURN
END SUBROUTINE task_groups_init_first
!
!=----------------------------------------------------------------------=
END MODULE stick_set
!=----------------------------------------------------------------------=
|
