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elpa
Commit b6ce5fd4 authored by Alexander Heinecke's avatar Alexander Heinecke
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first attempt to fix the bug which was rolled back in 402629d9. 

Current fix does as much blocking as possible, which should be
beneficial from both a compute and communication point of view.

Additionally, a second possible fix was added which just calls
the blocked version if the local matrix has a sufficient size.
This might create smaller and more messages at scale.
parent 402629d9
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Showing with 86 additions and 78 deletions
src/elpa2.F90
View file @ b6ce5fd4
......@@ -1173,13 +1173,11 @@ subroutine trans_ev_band_to_full_real(na, nqc, nblk, nbw, a, lda, tmat, q, ldq,
max_local_rows = max_blocks_row*nblk
max_local_cols = max_blocks_col*nblk
! t_blocking was formerly 2; 3 is a better choice
t_blocking = 3 ! number of matrices T (tmat) which are aggregated into a new (larger) T matrix (tmat_complete) and applied at once
! This conditional was introduced due to an merge error. For better performance this code path should
! always be used
if (useQR) then
! t_blocking was formerly 2; 3 is a better choice
t_blocking = 3 ! number of matrices T (tmat) which are aggregated into a new (larger) T matrix (tmat_complete) and applied at once
! we only use the t_blocking if we could call it fully, this is might be better but needs to benchmarked.
! if ( na >= ((t_blocking+1)*nbw) ) then
cwy_blocking = t_blocking * nbw
allocate(tmp1(max_local_cols*cwy_blocking))
......@@ -1189,23 +1187,33 @@ subroutine trans_ev_band_to_full_real(na, nqc, nblk, nbw, a, lda, tmat, q, ldq,
allocate(tmat_complete(cwy_blocking,cwy_blocking))
allocate(t_tmp(cwy_blocking,nbw))
allocate(t_tmp2(cwy_blocking,nbw))
else
allocate(tmp1(max_local_cols*nbw))
allocate(tmp2(max_local_cols*nbw))
allocate(hvb(max_local_rows*nbw))
allocate(hvm(max_local_rows,nbw))
endif
! else
! allocate(tmp1(max_local_cols*nbw))
! allocate(tmp2(max_local_cols*nbw))
! allocate(hvb(max_local_rows*nbw))
! allocate(hvm(max_local_rows,nbw))
! endif
hvm = 0 ! Must be set to 0 !!!
hvb = 0 ! Safety only
l_cols = local_index(nqc, my_pcol, np_cols, nblk, -1) ! Local columns of q
! This conditional has been introduced by the same merge error. Execute always this code path
if (useQR) then
! if ( na >= ((t_blocking+1)*nbw) ) then
do istep=1,((na-1)/nbw-1)/t_blocking + 1
n_cols = MIN(na,istep*cwy_blocking+nbw) - (istep-1)*cwy_blocking - nbw ! Number of columns in current step
! This the call when using na >= ((t_blocking+1)*nbw)
! n_cols = MIN(na,istep*cwy_blocking+nbw) - (istep-1)*cwy_blocking - nbw ! Number of columns in current step
! As an alternative we add some special case handling if na < cwy_blocking
IF (na < cwy_blocking) THEN
n_cols = MAX(0, na-nbw)
IF ( n_cols .eq. 0 ) THEN
EXIT
END IF
ELSE
n_cols = MIN(na,istep*cwy_blocking+nbw) - (istep-1)*cwy_blocking - nbw ! Number of columns in current step
END IF
! Broadcast all Householder vectors for current step compressed in hvb
......@@ -1278,72 +1286,72 @@ subroutine trans_ev_band_to_full_real(na, nqc, nblk, nbw, a, lda, tmat, q, ldq,
endif
enddo
else ! do not useQR
do istep=1,(na-1)/nbw
n_cols = MIN(na,(istep+1)*nbw) - istep*nbw ! Number of columns in current step
! Broadcast all Householder vectors for current step compressed in hvb
nb = 0
ns = 0
do lc = 1, n_cols
ncol = istep*nbw + lc ! absolute column number of householder vector
nrow = ncol - nbw ! absolute number of pivot row
l_rows = local_index(nrow-1, my_prow, np_rows, nblk, -1) ! row length for bcast
l_colh = local_index(ncol , my_pcol, np_cols, nblk, -1) ! HV local column number
if (my_pcol==pcol(ncol, nblk, np_cols)) hvb(nb+1:nb+l_rows) = a(1:l_rows,l_colh)
nb = nb+l_rows
if (lc==n_cols .or. mod(ncol,nblk)==0) then
call MPI_Bcast(hvb(ns+1),nb-ns,MPI_REAL8,pcol(ncol, nblk, np_cols),mpi_comm_cols,mpierr)
ns = nb
endif
enddo
! Expand compressed Householder vectors into matrix hvm
nb = 0
do lc = 1, n_cols
nrow = (istep-1)*nbw+lc ! absolute number of pivot row
l_rows = local_index(nrow-1, my_prow, np_rows, nblk, -1) ! row length for bcast
hvm(1:l_rows,lc) = hvb(nb+1:nb+l_rows)
if (my_prow==prow(nrow, nblk, np_rows)) hvm(l_rows+1,lc) = 1.
nb = nb+l_rows
enddo
l_rows = local_index(MIN(na,(istep+1)*nbw), my_prow, np_rows, nblk, -1)
! Q = Q - V * T**T * V**T * Q
if (l_rows>0) then
call dgemm('T','N',n_cols,l_cols,l_rows,1.d0,hvm,ubound(hvm,dim=1), &
q,ldq,0.d0,tmp1,n_cols)
else
tmp1(1:l_cols*n_cols) = 0
endif
call mpi_allreduce(tmp1,tmp2,n_cols*l_cols,MPI_REAL8,MPI_SUM,mpi_comm_rows,mpierr)
if (l_rows>0) then
call dtrmm('L','U','T','N',n_cols,l_cols,1.0d0,tmat(1,1,istep),ubound(tmat,dim=1),tmp2,n_cols)
call dgemm('N','N',l_rows,l_cols,n_cols,-1.d0,hvm,ubound(hvm,dim=1), &
tmp2,n_cols,1.d0,q,ldq)
endif
enddo
endif ! endQR
! else
!
! do istep=1,(na-1)/nbw
!
! n_cols = MIN(na,(istep+1)*nbw) - istep*nbw ! Number of columns in current step
!
! ! Broadcast all Householder vectors for current step compressed in hvb
!
! nb = 0
! ns = 0
!
! do lc = 1, n_cols
! ncol = istep*nbw + lc ! absolute column number of householder vector
! nrow = ncol - nbw ! absolute number of pivot row
!
! l_rows = local_index(nrow-1, my_prow, np_rows, nblk, -1) ! row length for bcast
! l_colh = local_index(ncol , my_pcol, np_cols, nblk, -1) ! HV local column number
!
! if (my_pcol==pcol(ncol, nblk, np_cols)) hvb(nb+1:nb+l_rows) = a(1:l_rows,l_colh)
!
! nb = nb+l_rows
!
! if (lc==n_cols .or. mod(ncol,nblk)==0) then
! call MPI_Bcast(hvb(ns+1),nb-ns,MPI_REAL8,pcol(ncol, nblk, np_cols),mpi_comm_cols,mpierr)
! ns = nb
! endif
! enddo
!
! ! Expand compressed Householder vectors into matrix hvm
!
! nb = 0
! do lc = 1, n_cols
! nrow = (istep-1)*nbw+lc ! absolute number of pivot row
! l_rows = local_index(nrow-1, my_prow, np_rows, nblk, -1) ! row length for bcast
!
! hvm(1:l_rows,lc) = hvb(nb+1:nb+l_rows)
! if (my_prow==prow(nrow, nblk, np_rows)) hvm(l_rows+1,lc) = 1.
!
! nb = nb+l_rows
! enddo
!
! l_rows = local_index(MIN(na,(istep+1)*nbw), my_prow, np_rows, nblk, -1)
!
! ! Q = Q - V * T**T * V**T * Q
!
! if (l_rows>0) then
! call dgemm('T','N',n_cols,l_cols,l_rows,1.d0,hvm,ubound(hvm,dim=1), &
! q,ldq,0.d0,tmp1,n_cols)
! else
! tmp1(1:l_cols*n_cols) = 0
! endif
!
! call mpi_allreduce(tmp1,tmp2,n_cols*l_cols,MPI_REAL8,MPI_SUM,mpi_comm_rows,mpierr)
!
! if (l_rows>0) then
! call dtrmm('L','U','T','N',n_cols,l_cols,1.0d0,tmat(1,1,istep),ubound(tmat,dim=1),tmp2,n_cols)
! call dgemm('N','N',l_rows,l_cols,n_cols,-1.d0,hvm,ubound(hvm,dim=1), &
! tmp2,n_cols,1.d0,q,ldq)
! endif
! enddo
! endif
deallocate(tmp1, tmp2, hvb, hvm)
if (useQR) then
! if ( na >= ((t_blocking+1)*nbw) ) then
deallocate(tmat_complete, t_tmp, t_tmp2)
endif
! endif
#ifdef HAVE_DETAILED_TIMINGS
call timer%stop("trans_ev_band_to_full_real")
......
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