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Unverified Commit 8f82627a authored by Andreas Marek's avatar Andreas Marek
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Remove global variables hh_trans_real and hh_trans_complex 

This variables, do not have to be global, they can be parsed along
internally in ELPA. Removing them makes debugging more easy and
the public interface more lean
parent b6ce5fd4
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Showing with 70 additions and 60 deletions
configure.ac
View file @ 8f82627a
......@@ -34,7 +34,7 @@ rm -rf config.h config-f90.h
# by the current interface, as they are ABI compatible (e.g. only new symbols
# were added by the new interface)
#
AC_SUBST([ELPA_SO_VERSION], [4:0:0])
AC_SUBST([ELPA_SO_VERSION], [4:1:0])
#
......
src/elpa2.F90
View file @ 8f82627a
......@@ -103,8 +103,8 @@ module ELPA2
! trans_ev_tridi_to_band_real.
! It must be deallocated by the user after trans_ev_tridi_to_band_real!
real*8, allocatable :: hh_trans_real(:,:)
complex*16, allocatable :: hh_trans_complex(:,:)
! real*8, allocatable :: hh_trans_real(:,:)
! complex*16, allocatable :: hh_trans_complex(:,:)
!-------------------------------------------------------------------------------
......@@ -168,6 +168,7 @@ function solve_evp_real_2stage(na, nev, a, lda, ev, q, ldq, nblk, &
mpi_comm_cols, mpi_comm_all
integer, intent(in) :: nblk
real*8, intent(inout) :: a(lda,matrixCols), ev(na), q(ldq,matrixCols)
real*8, allocatable :: hh_trans_real(:,:)
integer :: my_pe, n_pes, my_prow, my_pcol, np_rows, np_cols, mpierr
integer :: nbw, num_blocks
......@@ -283,8 +284,8 @@ function solve_evp_real_2stage(na, nev, a, lda, ev, q, ldq, nblk, &
allocate(e(na))
ttt0 = MPI_Wtime()
call tridiag_band_real(na, nbw, nblk, a, lda, ev, e, matrixCols, mpi_comm_rows, &
mpi_comm_cols, mpi_comm_all)
call tridiag_band_real(na, nbw, nblk, a, lda, ev, e, matrixCols, hh_trans_real, &
mpi_comm_rows, mpi_comm_cols, mpi_comm_all)
ttt1 = MPI_Wtime()
if (my_prow==0 .and. my_pcol==0 .and. elpa_print_times) &
write(error_unit,*) 'Time tridiag_band_real :',ttt1-ttt0
......@@ -313,8 +314,9 @@ function solve_evp_real_2stage(na, nev, a, lda, ev, q, ldq, nblk, &
! Backtransform stage 1
ttt0 = MPI_Wtime()
call trans_ev_tridi_to_band_real(na, nev, nblk, nbw, q, ldq, matrixCols, mpi_comm_rows, &
mpi_comm_cols, wantDebug, success, THIS_REAL_ELPA_KERNEL)
call trans_ev_tridi_to_band_real(na, nev, nblk, nbw, q, ldq, matrixCols, hh_trans_real, &
mpi_comm_rows, mpi_comm_cols, wantDebug, success, &
THIS_REAL_ELPA_KERNEL)
if (.not.(success)) return
ttt1 = MPI_Wtime()
if (my_prow==0 .and. my_pcol==0 .and. elpa_print_times) &
......@@ -393,6 +395,7 @@ function solve_evp_complex_2stage(na, nev, a, lda, ev, q, ldq, nblk, &
integer, intent(in) :: na, nev, lda, ldq, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, mpi_comm_all
complex*16, intent(inout) :: a(lda,matrixCols), q(ldq,matrixCols)
real*8, intent(inout) :: ev(na)
complex*16, allocatable :: hh_trans_complex(:,:)
integer :: my_prow, my_pcol, np_rows, np_cols, mpierr, my_pe, n_pes
integer :: l_cols, l_rows, l_cols_nev, nbw, num_blocks
......@@ -483,7 +486,8 @@ function solve_evp_complex_2stage(na, nev, a, lda, ev, q, ldq, nblk, &
allocate(e(na))
ttt0 = MPI_Wtime()
call tridiag_band_complex(na, nbw, nblk, a, lda, ev, e, matrixCols, mpi_comm_rows, mpi_comm_cols, mpi_comm_all)
call tridiag_band_complex(na, nbw, nblk, a, lda, ev, e, matrixCols, hh_trans_complex, &
mpi_comm_rows, mpi_comm_cols, mpi_comm_all)
ttt1 = MPI_Wtime()
if (my_prow==0 .and. my_pcol==0 .and. elpa_print_times) &
write(error_unit,*) 'Time tridiag_band_complex :',ttt1-ttt0
......@@ -520,8 +524,9 @@ function solve_evp_complex_2stage(na, nev, a, lda, ev, q, ldq, nblk, &
! Backtransform stage 1
ttt0 = MPI_Wtime()
call trans_ev_tridi_to_band_complex(na, nev, nblk, nbw, q, ldq, &
matrixCols, mpi_comm_rows, mpi_comm_cols,&
call trans_ev_tridi_to_band_complex(na, nev, nblk, nbw, q, ldq, &
matrixCols, hh_trans_complex, &
mpi_comm_rows, mpi_comm_cols, &
wantDebug, success,THIS_COMPLEX_ELPA_KERNEL)
if (.not.(success)) return
ttt1 = MPI_Wtime()
......@@ -768,9 +773,9 @@ subroutine bandred_real(na, a, lda, nblk, nbw, matrixCols, numBlocks, mpi_comm_r
mynlc = 0 ! number of local columns
!This loop does not have independent iterations,
!'mynlc' is incremented each iteration, and it is difficult to remove this dependency
!'mynlc' is incremented each iteration, and it is difficult to remove this dependency
!Thus each thread executes every iteration of the loop, except it only does the work if it 'owns' that iteration
!That is, a thread only executes the work associated with an iteration if its thread id is congruent to
!That is, a thread only executes the work associated with an iteration if its thread id is congruent to
!the iteration number modulo the number of threads
do j=1,lc-1
lcx = local_index(istep*nbw+j, my_pcol, np_cols, nblk, 0)
......@@ -781,12 +786,12 @@ subroutine bandred_real(na, a, lda, nblk, nbw, matrixCols, numBlocks, mpi_comm_r
endif
endif
enddo
! Get global dot products
!$omp barrier
!$omp single
!$omp single
if (mynlc>0) call mpi_allreduce(aux1,aux2,mynlc,MPI_REAL8,MPI_SUM,mpi_comm_rows,mpierr)
!$omp end single
!$omp end single
!$omp barrier
! Transform
......@@ -1360,7 +1365,8 @@ end subroutine trans_ev_band_to_full_real
! --------------------------------------------------------------------------------------------------
subroutine tridiag_band_real(na, nb, nblk, a, lda, d, e, matrixCols, mpi_comm_rows, mpi_comm_cols, mpi_comm)
subroutine tridiag_band_real(na, nb, nblk, a, lda, d, e, matrixCols, hh_trans_real, &
mpi_comm_rows, mpi_comm_cols, mpi_comm)
!-------------------------------------------------------------------------------
! tridiag_band_real:
......@@ -1392,30 +1398,32 @@ subroutine tridiag_band_real(na, nb, nblk, a, lda, d, e, matrixCols, mpi_comm_ro
#endif
implicit none
integer, intent(in) :: na, nb, nblk, lda, matrixCols, mpi_comm_rows, mpi_comm_cols, mpi_comm
real*8, intent(in) :: a(lda,matrixCols)
real*8, intent(out) :: d(na), e(na) ! set only on PE 0
integer, intent(in) :: na, nb, nblk, lda, matrixCols, mpi_comm_rows, mpi_comm_cols, mpi_comm
real*8, intent(in) :: a(lda,matrixCols)
real*8, intent(out) :: d(na), e(na) ! set only on PE 0
real*8, intent(out), &
allocatable :: hh_trans_real(:,:)
real*8 vnorm2, hv(nb), tau, x, h(nb), ab_s(1+nb), hv_s(nb), hv_new(nb), tau_new, hf
real*8 hd(nb), hs(nb)
real*8 :: vnorm2, hv(nb), tau, x, h(nb), ab_s(1+nb), hv_s(nb), hv_new(nb), tau_new, hf
real*8 :: hd(nb), hs(nb)
integer i, j, n, nc, nr, ns, ne, istep, iblk, nblocks_total, nblocks, nt
integer my_pe, n_pes, mpierr
integer my_prow, np_rows, my_pcol, np_cols
integer ireq_ab, ireq_hv
integer na_s, nx, num_hh_vecs, num_chunks, local_size, max_blk_size, n_off
integer :: i, j, n, nc, nr, ns, ne, istep, iblk, nblocks_total, nblocks, nt
integer :: my_pe, n_pes, mpierr
integer :: my_prow, np_rows, my_pcol, np_cols
integer :: ireq_ab, ireq_hv
integer :: na_s, nx, num_hh_vecs, num_chunks, local_size, max_blk_size, n_off
#ifdef WITH_OPENMP
integer max_threads, my_thread, my_block_s, my_block_e, iter
integer mpi_status(MPI_STATUS_SIZE)
integer :: max_threads, my_thread, my_block_s, my_block_e, iter
integer :: mpi_status(MPI_STATUS_SIZE)
integer, allocatable :: mpi_statuses(:,:), global_id_tmp(:,:)
integer, allocatable :: omp_block_limits(:)
real*8, allocatable :: hv_t(:,:), tau_t(:)
real*8, allocatable :: hv_t(:,:), tau_t(:)
#endif
integer, allocatable :: ireq_hhr(:), ireq_hhs(:), global_id(:,:), hh_cnt(:), hh_dst(:)
integer, allocatable :: limits(:), snd_limits(:,:)
integer, allocatable :: block_limits(:)
real*8, allocatable :: ab(:,:), hh_gath(:,:,:), hh_send(:,:,:)
real*8, allocatable :: ab(:,:), hh_gath(:,:,:), hh_send(:,:,:)
! ! dummies for calling redist_band
! complex*16 :: c_a(1,1), c_ab(1,1)
......@@ -2031,7 +2039,7 @@ subroutine tridiag_band_real(na, nb, nblk, a, lda, d, e, matrixCols, mpi_comm_ro
! --------------------------------------------------------------------------------------------------
subroutine trans_ev_tridi_to_band_real(na, nev, nblk, nbw, q, ldq, matrixCols, &
subroutine trans_ev_tridi_to_band_real(na, nev, nblk, nbw, q, ldq, matrixCols, hh_trans_real, &
mpi_comm_rows, mpi_comm_cols, wantDebug, success, &
THIS_REAL_ELPA_KERNEL)
!-------------------------------------------------------------------------------
......@@ -2065,45 +2073,45 @@ subroutine trans_ev_tridi_to_band_real(na, nev, nblk, nbw, q, ldq, matrixCols, &
#endif
implicit none
integer, intent(in) :: THIS_REAL_ELPA_KERNEL
integer, intent(in) :: na, nev, nblk, nbw, ldq, matrixCols, mpi_comm_rows, mpi_comm_cols
real*8 :: q(ldq,matrixCols)
integer np_rows, my_prow, np_cols, my_pcol
integer, intent(in) :: THIS_REAL_ELPA_KERNEL
integer, intent(in) :: na, nev, nblk, nbw, ldq, matrixCols, mpi_comm_rows, mpi_comm_cols
real*8 :: q(ldq,matrixCols)
real*8, intent(out) :: hh_trans_real(:,:)
integer :: np_rows, my_prow, np_cols, my_pcol
integer i, j, ip, sweep, nbuf, l_nev, a_dim2
integer current_n, current_local_n, current_n_start, current_n_end
integer next_n, next_local_n, next_n_start, next_n_end
integer bottom_msg_length, top_msg_length, next_top_msg_length
integer stripe_width, last_stripe_width, stripe_count
integer :: i, j, ip, sweep, nbuf, l_nev, a_dim2
integer :: current_n, current_local_n, current_n_start, current_n_end
integer :: next_n, next_local_n, next_n_start, next_n_end
integer :: bottom_msg_length, top_msg_length, next_top_msg_length
integer :: stripe_width, last_stripe_width, stripe_count
#ifdef WITH_OPENMP
integer thread_width, csw, b_off, b_len
integer :: thread_width, csw, b_off, b_len
#endif
integer num_result_blocks, num_result_buffers, num_bufs_recvd
integer a_off, current_tv_off, max_blk_size
integer mpierr, src, src_offset, dst, offset, nfact, num_blk
integer :: num_result_blocks, num_result_buffers, num_bufs_recvd
integer :: a_off, current_tv_off, max_blk_size
integer :: mpierr, src, src_offset, dst, offset, nfact, num_blk
#ifdef WITH_OPENMP
integer mpi_status(MPI_STATUS_SIZE)
integer :: mpi_status(MPI_STATUS_SIZE)
#endif
logical flag
logical :: flag
#ifdef WITH_OPENMP
real*8, allocatable :: a(:,:,:,:), row(:)
real*8, allocatable :: a(:,:,:,:), row(:)
#else
real*8, allocatable :: a(:,:,:), row(:)
real*8, allocatable :: a(:,:,:), row(:)
#endif
#ifdef WITH_OPENMP
real*8, allocatable :: top_border_send_buffer(:,:), top_border_recv_buffer(:,:)
real*8, allocatable :: bottom_border_send_buffer(:,:), bottom_border_recv_buffer(:,:)
real*8, allocatable :: top_border_send_buffer(:,:), top_border_recv_buffer(:,:)
real*8, allocatable :: bottom_border_send_buffer(:,:), bottom_border_recv_buffer(:,:)
#else
real*8, allocatable :: top_border_send_buffer(:,:,:), top_border_recv_buffer(:,:,:)
real*8, allocatable :: bottom_border_send_buffer(:,:,:), bottom_border_recv_buffer(:,:,:)
real*8, allocatable :: top_border_send_buffer(:,:,:), top_border_recv_buffer(:,:,:)
real*8, allocatable :: bottom_border_send_buffer(:,:,:), bottom_border_recv_buffer(:,:,:)
#endif
real*8, allocatable :: result_buffer(:,:,:)
real*8, allocatable :: bcast_buffer(:,:)
real*8, allocatable :: result_buffer(:,:,:)
real*8, allocatable :: bcast_buffer(:,:)
integer n_off
integer :: n_off
integer, allocatable :: result_send_request(:), result_recv_request(:), limits(:)
integer, allocatable :: top_send_request(:), bottom_send_request(:)
integer, allocatable :: top_recv_request(:), bottom_recv_request(:)
......@@ -3893,7 +3901,8 @@ subroutine trans_ev_band_to_full_complex(na, nqc, nblk, nbw, a, lda, tmat, q, ld
!---------------------------------------------------------------------------------------------------
subroutine tridiag_band_complex(na, nb, nblk, a, lda, d, e, matrixCols, mpi_comm_rows, mpi_comm_cols, mpi_comm)
subroutine tridiag_band_complex(na, nb, nblk, a, lda, d, e, matrixCols, hh_trans_complex, &
mpi_comm_rows, mpi_comm_cols, mpi_comm)
!-------------------------------------------------------------------------------
! tridiag_band_complex:
......@@ -3928,7 +3937,8 @@ subroutine tridiag_band_complex(na, nb, nblk, a, lda, d, e, matrixCols, mpi_comm
integer, intent(in) :: na, nb, nblk, lda, matrixCols, mpi_comm_rows, mpi_comm_cols, mpi_comm
complex*16, intent(in) :: a(lda,matrixCols)
real*8, intent(out) :: d(na), e(na) ! set only on PE 0
complex*16, intent(inout), &
allocatable :: hh_trans_complex(:,:)
real*8 :: vnorm2
complex*16 :: hv(nb), tau, x, h(nb), ab_s(1+nb), hv_s(nb), hv_new(nb), tau_new, hf
......@@ -4555,7 +4565,7 @@ subroutine tridiag_band_complex(na, nb, nblk, a, lda, d, e, matrixCols, mpi_comm
subroutine trans_ev_tridi_to_band_complex(na, nev, nblk, nbw, q, ldq, matrixCols, &
mpi_comm_rows, mpi_comm_cols, &
hh_trans_complex, mpi_comm_rows, mpi_comm_cols, &
wantDebug, success, THIS_COMPLEX_ELPA_KERNEL)
!-------------------------------------------------------------------------------
......@@ -4592,7 +4602,7 @@ subroutine trans_ev_tridi_to_band_complex(na, nev, nblk, nbw, q, ldq, matrixCols
integer, intent(in) :: THIS_COMPLEX_ELPA_KERNEL
integer, intent(in) :: na, nev, nblk, nbw, ldq, matrixCols, mpi_comm_rows, mpi_comm_cols
complex*16 :: q(ldq,matrixCols)
complex*16 :: hh_trans_complex(:,:)
integer :: np_rows, my_prow, np_cols, my_pcol
integer :: i, j, ip, sweep, nbuf, l_nev, a_dim2
......
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