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elpa
Commit b08aa71f authored by Andreas Marek's avatar Andreas Marek
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Some debug flags

parent 0588cac0
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Showing with 107 additions and 70 deletions
src/elpa1_compute.F90
View file @ b08aa71f
......@@ -137,9 +137,12 @@ module ELPA1_compute
implicit none
integer(kind=ik) :: na, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols
real(kind=rk) :: a(lda,matrixCols), d(na), e(na), tau(na)
! was
! real a(lda,*)
real(kind=rk) :: d(na), e(na), tau(na)
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
real(kind=rk) :: a(lda,*)
#else
real(kind=rk) :: a(lda,matrixCols)
#endif
integer(kind=ik), parameter :: max_stored_rows = 32
......@@ -480,9 +483,12 @@ module ELPA1_compute
implicit none
integer(kind=ik) :: na, nqc, lda, ldq, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols
real(kind=rk) :: a(lda,matrixCols), q(ldq,matrixCols), tau(na)
! was
! real a(lda,*), q(ldq,*)
real(kind=rk) :: tau(na)
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
real(kind=rk) :: a(lda,*), q(ldq,*)
#else
real(kind=rk) :: a(lda,matrixCols), q(ldq,matrixCols)
#endif
integer(kind=ik) :: max_stored_rows
......@@ -678,7 +684,7 @@ module ELPA1_compute
character*1 :: uplo_a, uplo_c
integer(kind=ik) :: na, ncb, lda, ldb, nblk, mpi_comm_rows, mpi_comm_cols, ldc
real(kind=rk) :: a(lda,*), b(ldb,*), c(ldc,*)
real(kind=rk) :: a(lda,*), b(ldb,*), c(ldc,*) ! remove assumed size!
integer(kind=ik) :: my_prow, my_pcol, np_rows, np_cols, mpierr
integer(kind=ik) :: l_cols, l_rows, l_rows_np
......@@ -886,9 +892,12 @@ module ELPA1_compute
implicit none
integer(kind=ik) :: na, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols
complex(kind=ck) :: a(lda,matrixCols), tau(na)
! was
! complex a(lda,*)
complex(kind=ck) :: tau(na)
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
complex(kind=ck) :: a(lda,*)
#else
complex(kind=ck) :: a(lda,matrixCols)
#endif
real(kind=rk) :: d(na), e(na)
integer(kind=ik), parameter :: max_stored_rows = 32
......@@ -1255,10 +1264,12 @@ module ELPA1_compute
implicit none
integer(kind=ik) :: na, nqc, lda, ldq, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols
complex(kind=ck) :: a(lda,matrixCols), q(ldq,matrixCols), tau(na)
! was
! complex a(lda,*), q(ldq,*)
complex(kind=ck) :: tau(na)
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
complex(kind=ck) :: a(lda,*), q(ldq,*)
#else
complex(kind=ck) :: a(lda,matrixCols), q(ldq,matrixCols)
#endif
integer(kind=ik) :: max_stored_rows
complex(kind=ck), parameter :: CZERO = (0.d0,0.d0), CONE = (1.d0,0.d0)
......@@ -1459,7 +1470,7 @@ module ELPA1_compute
character*1 :: uplo_a, uplo_c
integer(kind=ik) :: na, ncb, lda, ldb, nblk, mpi_comm_rows, mpi_comm_cols, ldc
complex(kind=ck) :: a(lda,*), b(ldb,*), c(ldc,*)
complex(kind=ck) :: a(lda,*), b(ldb,*), c(ldc,*) ! remove assumed size!
integer(kind=ik) :: my_prow, my_pcol, np_rows, np_cols, mpierr
integer(kind=ik) :: l_cols, l_rows, l_rows_np
......@@ -1628,9 +1639,12 @@ module ELPA1_compute
implicit none
integer(kind=ik) :: na, nev, ldq, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols
real(kind=rk) :: d(na), e(na), q(ldq,matrixCols)
! was
! real q(ldq,*)
real(kind=rk) :: d(na), e(na)
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
real(kind=rk) :: q(ldq,*)
#else
real(kind=rk) :: q(ldq,matrixCols)
#endif
integer(kind=ik) :: i, j, n, np, nc, nev1, l_cols, l_rows
integer(kind=ik) :: my_prow, my_pcol, np_rows, np_cols, mpierr
......@@ -1854,9 +1868,12 @@ module ELPA1_compute
implicit none
integer(kind=ik) :: na, nev, nqoff, ldq, nblk, matrixCols, mpi_comm_rows
real(kind=rk) :: d(na), e(na), q(ldq,matrixCols)
! was
! real q(ldq,*)
real(kind=rk) :: d(na), e(na)
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
real(kind=rk) :: q(ldq,*)
#else
real(kind=rk) :: q(ldq,matrixCols)
#endif
integer(kind=ik), parameter :: min_submatrix_size = 16 ! Minimum size of the submatrices to be used
......@@ -2129,9 +2146,12 @@ module ELPA1_compute
integer(kind=ik) :: na, nm, ldq, nqoff, nblk, matrixCols, mpi_comm_rows, &
mpi_comm_cols, npc_0, npc_n
integer(kind=ik) :: l_col(na), p_col(na), l_col_out(na), p_col_out(na)
real(kind=rk) :: d(na), e, q(ldq,matrixCols)
! was
! real q(ldq,*)
real(kind=rk) :: d(na), e
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
real(kind=rk) :: q(ldq,*)
#else
real(kind=rk) :: q(ldq,matrixCols)
#endif
integer(kind=ik), parameter :: max_strip=128
......@@ -3474,10 +3494,11 @@ module ELPA1_compute
implicit none
integer(kind=ik) :: na, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
real(kind=rk) :: a(lda,*)
#else
real(kind=rk) :: a(lda,matrixCols)
! was
! real a(lda,*)
#endif
integer(kind=ik) :: my_prow, my_pcol, np_rows, np_cols, mpierr
integer(kind=ik) :: l_cols, l_rows, l_col1, l_row1, l_colx, l_rowx
integer(kind=ik) :: n, nc, i, info, ns, nb
......@@ -3612,10 +3633,11 @@ module ELPA1_compute
implicit none
integer(kind=ik) :: na, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
complex(kind=ck) :: a(lda,*)
#else
complex(kind=ck) :: a(lda,matrixCols)
!was
! complex a(lda,*)
#endif
integer(kind=ik) :: my_prow, my_pcol, np_rows, np_cols, mpierr
integer(kind=ik) :: l_cols, l_rows, l_col1, l_row1, l_colx, l_rowx
integer(kind=ik) :: n, nc, i, info
......@@ -3791,10 +3813,11 @@ module ELPA1_compute
implicit none
integer(kind=ik) :: na, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
complex(kind=ck) :: a(lda,*)
#else
complex(kind=ck) :: a(lda,matrixCols)
! was
! complex a(lda,*)
#endif
integer(kind=ik) :: my_prow, my_pcol, np_rows, np_cols, mpierr
integer(kind=ik) :: l_cols, l_rows, l_col1, l_row1, l_colx, l_rowx
integer(kind=ik) :: n, nc, i, info, ns, nb
......
src/elpa2_compute.F90
View file @ b08aa71f
......@@ -137,10 +137,11 @@ module ELPA2_compute
implicit none
integer(kind=ik) :: na, lda, nblk, nbw, matrixCols, numBlocks, mpi_comm_rows, mpi_comm_cols
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
real(kind=rk) :: a(lda,*), tmat(nbw,nbw,*)
#else
real(kind=rk) :: a(lda,matrixCols), tmat(nbw,nbw,numBlocks)
! was
! real a(lda,*), tmat(nbw,nbw,*)
#endif
integer(kind=ik) :: my_prow, my_pcol, np_rows, np_cols, mpierr
integer(kind=ik) :: l_cols, l_rows
integer(kind=ik) :: i, j, lcs, lce, lrs, lre, lc, lr, cur_pcol, n_cols, nrow
......@@ -613,10 +614,11 @@ module ELPA2_compute
use precision
implicit none
integer(kind=ik) :: n, lda, ldb, comm
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
real(kind=rk) :: a(lda,*)
#else
real(kind=rk) :: a(lda,ldb)
! was
! real a(lda,*)
#endif
integer(kind=ik) :: i, nc, mpierr
real(kind=rk) :: h1(n*n), h2(n*n)
......@@ -687,10 +689,11 @@ module ELPA2_compute
implicit none
integer(kind=ik) :: na, nqc, lda, ldq, nblk, nbw, matrixCols, numBlocks, mpi_comm_rows, mpi_comm_cols
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
real(kind=rk) :: a(lda,*), q(ldq,*), tmat(nbw,nbw,*)
#else
real(kind=rk) :: a(lda,matrixCols), q(ldq,matrixCols), tmat(nbw, nbw, numBlocks)
! was
! real a(lda,*), q(ldq,*), tmat(nbw,nbw,*)
#endif
integer(kind=ik) :: my_prow, my_pcol, np_rows, np_cols, mpierr
integer(kind=ik) :: max_blocks_row, max_blocks_col, max_local_rows, &
max_local_cols
......@@ -939,9 +942,11 @@ module ELPA2_compute
implicit none
integer(kind=ik), intent(in) :: na, nb, nblk, lda, matrixCols, mpi_comm_rows, mpi_comm_cols, mpi_comm
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
real(kind=rk), intent(in) :: a(lda,*)
#else
real(kind=rk), intent(in) :: a(lda,matrixCols)
! was
! real a(lda,*)
#endif
real(kind=rk), intent(out) :: d(na), e(na) ! set only on PE 0
real(kind=rk), intent(out), &
allocatable :: hh_trans_real(:,:)
......@@ -1613,9 +1618,11 @@ module ELPA2_compute
integer(kind=ik), intent(in) :: THIS_REAL_ELPA_KERNEL
integer(kind=ik), intent(in) :: na, nev, nblk, nbw, ldq, matrixCols, mpi_comm_rows, mpi_comm_cols
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
real(kind=rk) :: q(ldq,*)
#else
real(kind=rk) :: q(ldq,matrixCols)
! was
! real q(ldq,*)
#endif
real(kind=rk), intent(out) :: hh_trans_real(:,:)
integer(kind=ik) :: np_rows, my_prow, np_cols, my_pcol
......@@ -2586,10 +2593,11 @@ top_msg_length, current_local_n-top_msg_length-bottom_msg_length, i, &
implicit none
integer(kind=ik) :: na, lda, nblk, nbw, matrixCols, numBlocks, mpi_comm_rows, mpi_comm_cols
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
complex(kind=ck) :: a(lda,*), tmat(nbw,nbw,*)
#else
complex(kind=ck) :: a(lda,matrixCols), tmat(nbw,nbw,numBlocks)
! was
! complex a(lda,*), tmat(nbw,nbw,*)
#endif
complex(kind=ck), parameter :: CZERO = (0.d0,0.d0), CONE = (1.d0,0.d0)
integer(kind=ik) :: my_prow, my_pcol, np_rows, np_cols, mpierr
......@@ -2944,10 +2952,11 @@ top_msg_length, current_local_n-top_msg_length-bottom_msg_length, i, &
implicit none
integer(kind=ik) :: na, nqc, lda, ldq, nblk, nbw, matrixCols, numBlocks, mpi_comm_rows, mpi_comm_cols
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
complex(kind=ck) :: a(lda,*), q(ldq,*), tmat(nbw,nbw,*)
#else
complex(kind=ck) :: a(lda,matrixCols), q(ldq,matrixCols), tmat(nbw, nbw, numBlocks)
! was
! complex a(lda,*),q(ldq,*),tmat(nbw,nbw,*)
#endif
complex(kind=ck), parameter :: CZERO = (0.d0,0.d0), CONE = (1.d0,0.d0)
integer(kind=ik) :: my_prow, my_pcol, np_rows, np_cols, mpierr
......@@ -3085,9 +3094,11 @@ top_msg_length, current_local_n-top_msg_length-bottom_msg_length, i, &
implicit none
integer(kind=ik), intent(in) :: na, nb, nblk, lda, matrixCols, mpi_comm_rows, mpi_comm_cols, mpi_comm
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
complex(kind=ck),intent(in) :: a(lda,*)
#else
complex(kind=ck), intent(in) :: a(lda,matrixCols)
! was
! complex a(lda,*)
#endif
real(kind=rk), intent(out) :: d(na), e(na) ! set only on PE 0
complex(kind=ck), intent(inout), &
allocatable :: hh_trans_complex(:,:)
......@@ -3751,9 +3762,11 @@ top_msg_length, current_local_n-top_msg_length-bottom_msg_length, i, &
integer(kind=ik), intent(in) :: THIS_COMPLEX_ELPA_KERNEL
integer(kind=ik), intent(in) :: na, nev, nblk, nbw, ldq, matrixCols, mpi_comm_rows, mpi_comm_cols
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
complex(kind=ck) :: q(ldq,*)
#else
complex(kind=ck) :: q(ldq,matrixCols)
! was
! complex q(ldq,*)
#endif
complex(kind=ck) :: hh_trans_complex(:,:)
integer(kind=ik) :: np_rows, my_prow, np_cols, my_pcol
......@@ -4929,8 +4942,8 @@ top_msg_length, current_local_n-top_msg_length-bottom_msg_length, i, &
implicit none
integer(kind=ik), intent(in) :: na, nb, nb2, mpi_comm
real(kind=rk), intent(inout) :: ab(2*nb,*)
real(kind=rk), intent(inout) :: ab2(2*nb2,*)
real(kind=rk), intent(inout) :: ab(2*nb,*) ! remove assumed size
real(kind=rk), intent(inout) :: ab2(2*nb2,*) ! remove assumed size
real(kind=rk), intent(out) :: d(na), e(na) ! set only on PE 0
real(kind=rk) :: hv(nb,nb2), w(nb,nb2), w_new(nb,nb2), tau(nb2), hv_new(nb,nb2), &
......@@ -5188,7 +5201,7 @@ top_msg_length, current_local_n-top_msg_length-bottom_msg_length, i, &
integer(kind=ik), intent(in) :: nb !width of matrix W and Y
integer(kind=ik), intent(in) :: lda !leading dimension of A
integer(kind=ik), intent(in) :: lda2 !leading dimension of W and Y
real(kind=rk), intent(inout) :: A(lda,*) !matrix to be transformed
real(kind=rk), intent(inout) :: A(lda,*) !matrix to be transformed ! remove assumed size
real(kind=rk), intent(in) :: W(m,nb) !blocked transformation matrix W
real(kind=rk), intent(in) :: Y(m,nb) !blocked transformation matrix Y
real(kind=rk), intent(inout) :: mem(n,nb) !memory for a temporary matrix of size n x nb
......@@ -5217,7 +5230,7 @@ top_msg_length, current_local_n-top_msg_length-bottom_msg_length, i, &
integer(kind=ik), intent(in) :: nb !width of matrix W and Y
integer(kind=ik), intent(in) :: lda !leading dimension of A
integer(kind=ik), intent(in) :: lda2 !leading dimension of W and Y
real(kind=rk), intent(inout) :: A(lda,*) !matrix to be transformed
real(kind=rk), intent(inout) :: A(lda,*) !matrix to be transformed ! remove assumed size
real(kind=rk), intent(in) :: W(m,nb) !blocked transformation matrix W
real(kind=rk), intent(in) :: Y(m,nb) !blocked transformation matrix Y
real(kind=rk), intent(inout) :: mem(n,nb) !memory for a temporary matrix of size n x nb
......@@ -5245,7 +5258,7 @@ top_msg_length, current_local_n-top_msg_length-bottom_msg_length, i, &
integer(kind=ik), intent(in) :: nb !width of matrix W and Y
integer(kind=ik), intent(in) :: lda !leading dimension of A
integer(kind=ik), intent(in) :: lda2 !leading dimension of W and Y
real(kind=rk), intent(inout) :: A(lda,*) !matrix to be transformed
real(kind=rk), intent(inout) :: A(lda,*) !matrix to be transformed ! remove assumed size
real(kind=rk), intent(in) :: W(n,nb) !blocked transformation matrix W
real(kind=rk), intent(in) :: Y(n,nb) !blocked transformation matrix Y
real(kind=rk) :: mem(n,nb) !memory for a temporary matrix of size n x nb
......
src/elpa2_kernels/elpa2_kernels_real.F90
View file @ b08aa71f
......@@ -162,11 +162,12 @@ contains
integer(kind=ik), intent(in) :: nb, ldq, ldh
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
complex(kind=ck), intent(inout) :: q(ldq/2,*)
real(kind=rk), intent(in) :: h(ldh,*)
real(kind=rk), intent(in) :: hh(ldh,*)
#else
real(kind=rk), intent(inout) :: q(:,:)
real(kind=rk), intent(in) :: hh(ldh,2)
#endif
real(kind=rk), intent(in) :: hh(ldh,2), s
real(kind=rk), intent(in) :: s
#ifdef PACK_REAL_TO_COMPLEX
complex(kind=ck) :: x1, x2, x3, x4, x5, x6, y1, y2, y3, y4, y5, y6
......@@ -376,12 +377,12 @@ contains
integer(kind=ik), intent(in) :: nb, ldq, ldh
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
complex(kind=ck), intent(inout) :: q(ldq/2,*)
real(kind=rk), intent(in) :: h(ldh,*)
real(kind=rk), intent(in) :: hh(ldh,*)
#else
real(kind=rk), intent(inout) :: q(:,:)
real(kind=rk), intent(inout) :: q(:,:)
real(kind=rk), intent(in) :: hh(ldh,2)
#endif
real(kind=rk), intent(in) :: hh(ldh,2), s
real(kind=rk), intent(in) :: s
#ifdef PACK_REAL_TO_COMPLEX
complex(kind=ck) :: x1, x2, x3, x4, y1, y2, y3, y4
#else
......@@ -544,12 +545,12 @@ contains
integer(kind=ik), intent(in) :: nb, ldq, ldh
#ifdef DESPERATELY_WANT_ASSUMED_SIZE
complex(kind=ck), intent(inout) :: q(ldq/2,*)
real(kind=rk), intent(in) :: h(ldh,*)
real(kind=rk), intent(in) :: hh(ldh,*)
#else
real(kind=rk), intent(inout) :: q(:,:) !q(1:ldq/2,1:nb+1)
real(kind=rk), intent(in) :: hh(ldh,2)
#endif
real(kind=rk), intent(in) :: hh(ldh,2), s
real(kind=rk), intent(in) :: s
#ifdef PACK_REAL_TO_COMPLEX
complex(kind=ck) :: x1, x2, y1, y2
......
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