scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

Calls to poolbcast replaced by calls to mp_bcast(*,MPI_COMM_ROW). 

PW/broadcast.f90 PW/poolbcast.f90 removed.
C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@707 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
sbraccia 2004-03-08 17:21:27 +00:00
parent cabbea8cda
commit 492f080ce3
14 changed files with 117 additions and 177 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
D3/Makefile
View File

@ -192,7 +192,6 @@ PWOBJS = \
../PW/bp_ylm_q.o \
../PW/bp_zgedi.o \
../PW/bp_zgefa.o \
../PW/broadcast.o \
../PW/c_bands.o \
../PW/c_gemm.o \
../PW/ccalbec.o \
@ -305,7 +304,6 @@ PWOBJS = \
../PW/ortho.o \
../PW/orthoatwfc.o \
../PW/para.o \
../PW/poolbcast.o \
../PW/poolextreme.o \
../PW/poolrecover.o \
../PW/poolreduce.o \

4
D3/d3_exc.f90
View File

@ -20,6 +20,8 @@ subroutine d3_exc
use d3com
#ifdef __PARA
use para
USE io_global, ONLY : ionode_id
USE mp, ONLY : mp_bcast
#endif
implicit none
integer :: errcode, ir, ipert, jpert, kpert, npert1, npert2
@ -72,7 +74,7 @@ subroutine d3_exc
enddo
#ifdef __PARA
100 continue
call poolbcast (2 * 27 * nat * nat * nat, d3dyn1)
CALL mp_bcast( d3dyn1, ionode_id, MPI_COMM_ROW )
#endif
d3dyn = d3dyn + d3dyn1

2
Gamma/Makefile
View File

@ -29,7 +29,6 @@ PWOBJS = \
../PW/bp_ylm_q.o \
../PW/bp_zgedi.o \
../PW/bp_zgefa.o \
../PW/broadcast.o \
../PW/c_bands.o \
../PW/ccalbec.o \
../PW/ccgdiagg.o \
@ -140,7 +139,6 @@ PWOBJS = \
../PW/orthoatwfc.o \
../PW/output_tau.o \
../PW/para.o \
../PW/poolbcast.o \
../PW/poolextreme.o \
../PW/poolrecover.o \
../PW/poolreduce.o \

2
PH/Makefile
View File

@ -137,7 +137,6 @@ PWOBJS = \
../PW/bp_ylm_q.o \
../PW/bp_zgedi.o \
../PW/bp_zgefa.o \
../PW/broadcast.o \
../PW/c_bands.o \
../PW/c_gemm.o \
../PW/ccalbec.o \
@ -250,7 +249,6 @@ PWOBJS = \
../PW/ortho.o \
../PW/orthoatwfc.o \
../PW/para.o \
../PW/poolbcast.o \
../PW/poolextreme.o \
../PW/poolrecover.o \
../PW/poolreduce.o \

2
PP/Makefile
View File

@ -50,7 +50,6 @@ PWOBJS = \
../PW/bp_ylm_q.o \
../PW/bp_zgedi.o \
../PW/bp_zgefa.o \
../PW/broadcast.o \
../PW/c_bands.o \
../PW/c_gemm.o \
../PW/ccalbec.o \
@ -167,7 +166,6 @@ PWOBJS = \
../PW/orthoatwfc.o \
../PW/para.o \
../PW/paw.o \
../PW/poolbcast.o \
../PW/poolextreme.o \
../PW/poolrecover.o \
../PW/poolreduce.o \

2
PW/Makefile
View File

@ -29,7 +29,6 @@ bp_strings.o \
bp_ylm_q.o \
bp_zgedi.o \
bp_zgefa.o \
broadcast.o \
c_bands.o \
c_gemm.o \
ccalbec.o \
@ -153,7 +152,6 @@ orthoatwfc.o \
output_tau.o \
para.o \
paw.o \
poolbcast.o \
poolextreme.o \
poolrecover.o \
poolreduce.o \

41
PW/broadcast.f90
View File

@ -1,41 +0,0 @@
!
! Copyright (C) 2001 PWSCF 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 .
!
!
!-----------------------------------------------------------------------
subroutine broadcast (ndata, data)
!-----------------------------------------------------------------------
!
! this routine broadcasts the real*8 vector 'data' from the first proces
! of each pool to all the other processors of the pool
!
USE kinds, only : DP
#ifdef __PARA
use para
#endif
implicit none
! on INPUT
integer :: ndata
real (kind=DP) :: data (ndata)
#ifdef __PARA
#include "machine.h"
include 'mpif.h'
integer :: root, ierr
if (nprocp <= 1) return
!
! root is the "broadcasting" processors.
! N.B. in MPI the processors are labeled from 0 to nproc-1
!
root = 0
call mpi_barrier (MPI_COMM_POOL, ierr)
call mpi_bcast (data, ndata, MPI_REAL8, root, MPI_COMM_POOL, ierr)
call errore ('broadcast', 'info<>0', ierr)
#endif
return
end subroutine broadcast

170
PW/io_pot.f90
View File

@ -1,81 +1,123 @@
!
! Copyright (C) 2001 PWSCF group
! Copyright (C) 2001-2004 PWSCF 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 .
!
!-----------------------------------------------------------------------
subroutine io_pot (iop, filename, pot, nc)
!-----------------------------------------------------------------------
!
! This routine reads (iop=-1) or write (iop=1) the potential
! in real space onto a file
!
#include "machine.h"
USE kinds, ONLY: DP
USE gvect, ONLY: nrxx, nrx1, nrx2, nrx3
#ifdef __PARA
use para
!
!----------------------------------------------------------------------------
SUBROUTINE io_pot( iop, filename, pot, nc )
!----------------------------------------------------------------------------
!
! ... This routine reads (iop=-1) or write (iop=1) the potential
! ... in real space onto a file
!
USE kinds, ONLY : DP
USE gvect, ONLY : nrxx, nrx1, nrx2, nrx3
#if defined (__PARA)
USE para, ONLY : me, mypool, MPI_COMM_ROW
USE io_global, ONLY : ionode_id
USE mp, ONLY : mp_bcast
#endif
implicit none
integer :: iop, nc, ic
! option: write if +1, read if -1
! number of components and index for them
character (len=*) :: filename
real(kind=DP) :: pot (nrxx, nc)
#ifdef __PARA
real(kind=DP), allocatable :: allv (:,:)
!
IMPLICIT NONE
!
INTEGER :: iop, nc, ic
! option: write if +1, read if -1
! number of components and index for them
CHARACTER (LEN=*) :: filename
REAL(KIND=DP) :: pot(nrxx,nc)
LOGICAL :: exst
#if defined (__PARA)
REAL(KIND=DP), ALLOCATABLE :: allv(:,:)
#endif
logical :: exst
#ifdef __PARA
if (me.eq.1) allocate( allv(nrx1*nrx2*nrx3, nc) )
!
! On writing: gather the potential on the first node of each pool
!
#if defined (__PARA)
!
if (iop.eq.1) then
do ic = 1, nc
call gather (pot (1, ic), allv (1, ic) )
enddo
endif
if (me.eq.1.and.mypool.eq.1) then
! ... parallel case
!
IF ( me == 1 ) ALLOCATE( allv( nrx1*nrx2*nrx3, nc ) )
!
! ... On writing: gather the potential on the first node of each pool
!
IF ( iop == 1 ) THEN
!
! Only the first node of the first pool reads or writes the file
DO ic = 1, nc
!
CALL gather( pot(1,ic), allv(1,ic) )
!
END DO
!
call seqopn (4, filename, 'unformatted', exst)
if (iop.eq.1) then
write (4, err = 10) allv
else
read (4, err = 20) allv
endif
close (unit = 4)
endif
END IF
!
! On reading: copy the potential on the first node of all pools
! scatter the potential on all nodes of each pool
IF ( me == 1 .AND. mypool == 1 ) THEN
!
! ... Only the first node of the first pool reads or writes the file
!
CALL seqopn( 4, filename, 'UNFORMATTED', exst )
!
IF ( iop == 1 ) THEN
!
WRITE( 4, err = 10 ) allv
!
ELSE
!
READ( 4, err = 20 ) allv
!
END IF
!
CLOSE( UNIT = 4 )
!
END IF
!
! ... On reading: copy the potential on the first node of all pools
! ... scatter the potential on all nodes of each pool
!
IF ( iop == -1 ) THEN
!
IF ( me == 1 ) CALL mp_bcast( allv, ionode_id, MPI_COMM_ROW )
!
DO ic = 1, nc
!
CALL scatter( allv(1,ic), pot(1,ic) )
!
END DO
!
END IF
!
IF ( me == 1 ) DEALLOCATE( allv )
!
if (iop.eq. - 1) then
if (me.eq.1) call poolbcast (nrx1 * nrx2 * nrx3 * nc, allv)
do ic = 1, nc
call scatter (allv (1, ic), pot (1, ic) )
enddo
endif
if (me.eq.1) deallocate(allv)
#else
call seqopn (4, filename, 'unformatted', exst)
if (iop.eq.1) then
write (4, err = 10) pot
else
read (4, err = 20) pot
endif
close (unit = 4)
!
! ... serial case
!
CALL seqopn( 4, filename, 'UNFORMATTED', exst )
!
IF ( iop == 1 ) THEN
!
WRITE( 4, err = 10 ) pot
!
ELSE
!
READ( 4, err = 20 ) pot
!
END IF
!
CLOSE( UNIT = 4 )
!
#endif
return
10 call errore ('io_pot', 'error writing '//filename, 1)
return
20 call errore ('io_pot', 'error reading '//filename, 2)
return
end subroutine io_pot
!
RETURN
!
10 CALL errore( 'io_pot', 'error writing '//filename, 1 )
!
RETURN
!
20 CALL errore( 'io_pot', 'error reading '//filename, 2 )
!
RETURN
!
END SUBROUTINE io_pot

9
PW/move_ions.f90
View File

@ -51,14 +51,14 @@ SUBROUTINE move_ions()
USE relax, ONLY : epse, epsf, starting_scf_threshold
USE cellmd, ONLY : lmovecell, calc
#if defined (__PARA)
USE para, ONLY : me, mypool, MPI_COMM_POOL
USE para, ONLY : me, mypool, MPI_COMM_POOL, MPI_COMM_ROW
USE io_global, ONLY : ionode_id
USE mp, ONLY : mp_bcast
#endif
!
! ... external procedures
!
USE constraints_module, ONLY : dist_constrain, check_constrain, &
USE constraints_module, ONLY : dist_constrain, check_constrain, &
new_force, compute_penalty
USE basic_algebra_routines, ONLY : norm
!
@ -223,12 +223,11 @@ SUBROUTINE move_ions()
CALL mp_bcast( tr2, ionode_id )
CALL mp_bcast( conv_ions, ionode_id )
!
IF ( me == 1 ) CALL poolbcast( 1, alpha0 )
IF ( me == 1 ) CALL poolbcast( 1, beta0 )
IF ( me == 1 ) CALL mp_bcast( alpha0, ionode_id, MPI_COMM_ROW )
IF ( me == 1 ) CALL mp_bcast( beta0, ionode_id, MPI_COMM_ROW )
!
CALL mp_bcast( alpha0, ionode_id, MPI_COMM_POOL )
CALL mp_bcast( beta0, ionode_id, MPI_COMM_POOL )
!
!
#endif
!

41
PW/poolbcast.f90
View File

@ -1,41 +0,0 @@
!
! Copyright (C) 2001 PWSCF 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 .
!
!
!-----------------------------------------------------------------------
subroutine poolbcast (ndata, data)
!-----------------------------------------------------------------------
!
! this routine broadcasts the (distributed) real*8 vector 'data'
! from each node of the first pool to each node of all other pools
!
USE kinds, only : DP
#ifdef __PARA
use para
#endif
implicit none
! on INPUT
integer :: ndata
real (kind=DP) :: data (ndata)
#ifdef __PARA
#include "machine.h"
include 'mpif.h'
integer :: root, ierr
!
if (npool == 1) return
!
! root is the "broadcasting" processor.
!
! rank of the MPI_COMM_ROW
root = 0
call mpi_barrier (MPI_COMM_ROW, ierr)
call mpi_bcast (data, ndata, MPI_REAL8, root, MPI_COMM_ROW, ierr)
call errore ('poolbcast', 'info<>0', ierr)
#endif
return
end subroutine poolbcast

5
PW/poolscatter.f90
View File

@ -19,7 +19,7 @@ SUBROUTINE poolscatter( nsize, nkstot, f_in, nks, f_out )
#if defined (__PARA)
!
USE kinds, ONLY : DP
USE para, ONLY : me, mypool, npool, kunit, MPI_COMM_POOL
USE para, ONLY : me, mypool, npool, kunit, MPI_COMM_POOL, MPI_COMM_ROW
USE io_global, ONLY : ionode_id
USE mp, ONLY : mp_bcast
!
@ -40,7 +40,7 @@ SUBROUTINE poolscatter( nsize, nkstot, f_in, nks, f_out )
! ... copy from the first node of the first pool
! ... to the first node of all the other pools
!
IF ( me == 1 ) CALL poolbcast( nsize * nkstot, f_in )
IF ( me == 1 ) CALL mp_bcast( f_in, ionode_id, MPI_COMM_ROW )
!
! ... distribute the vector on the first node of each pool
!
@ -62,4 +62,3 @@ SUBROUTINE poolscatter( nsize, nkstot, f_in, nks, f_out )
RETURN
!
END SUBROUTINE poolscatter

8
PW/reduce.f90
View File

@ -79,7 +79,6 @@ SUBROUTINE reduce( size, ps )
#endif
!
ps((1+(n-1)*MAXB):(n*MAXB)) = buff(1:MAXB)
!CALL DCOPY( MAXB, buff, 1, ps(1+(n-1)*MAXB), 1 )
!
END DO
!
@ -99,7 +98,6 @@ SUBROUTINE reduce( size, ps )
#endif
!
ps((1+nbuf*MAXB):(1+size)) = buff(1:(size-nbuf*MAXB))
!CALL DCOPY( (size-nbuf*MAXB), buff, 1, ps(1+nbuf*MAXB), 1 )
!
END IF
!
@ -151,9 +149,6 @@ SUBROUTINE ireduce( size, is )
CALL errore( 'ireduce', 'error in allreduce 1', info )
!
is((1+(n-1)*MAXI):(n*MAXI)) = buff(1:MAXI)
!do m = 1, MAXI
! is (m + (n - 1) * MAXI) = buff (m)
!enddo
!
END DO
!
@ -167,9 +162,6 @@ SUBROUTINE ireduce( size, is )
CALL errore( 'reduce', 'error in allreduce 2', info )
!
is((1+nbuf*MAXB):(1+size)) = buff(1:(size-nbuf*MAXB))
!do m = 1, size-nbuf * MAXI
! is (m + nbuf * MAXI) = buff (m)
!enddo
!
END IF
!

4
PW/sum_band.f90
View File

@ -36,7 +36,7 @@ SUBROUTINE sum_band()
USE wavefunctions_module, ONLY : evc, psic
USE wvfct, ONLY : nbnd, npwx, npw, igk, wg, et
#if defined (__PARA)
USE para, ONLY : me, mypool, MPI_COMM_POOL
USE para, ONLY : me, mypool, MPI_COMM_POOL, MPI_COMM_ROW
USE io_global, ONLY : ionode_id
USE mp, ONLY : mp_bcast
#endif
@ -85,7 +85,7 @@ SUBROUTINE sum_band()
!
CALL poolscatter( nbnd, nkstot, wg, nks, wg )
!
IF ( me == 1 ) CALL poolbcast( 1, ef )
IF ( me == 1 ) CALL mp_bcast( ef, ionode_id, MPI_COMM_ROW )
!
CALL mp_bcast( ef, ionode_id, MPI_COMM_POOL )
!

2
PWCOND/Makefile
View File

@ -70,7 +70,6 @@ PWOBJS = \
../PW/bp_ylm_q.o \
../PW/bp_zgedi.o \
../PW/bp_zgefa.o \
../PW/broadcast.o \
../PW/c_bands.o \
../PW/c_gemm.o \
../PW/ccalbec.o \
@ -183,7 +182,6 @@ PWOBJS = \
../PW/ortho.o \
../PW/orthoatwfc.o \
../PW/para.o \
../PW/poolbcast.o \
../PW/poolextreme.o \
../PW/poolrecover.o \
../PW/poolreduce.o \