Multiplies two DBCSR matrices
This function is expected to be called only if __DBCSR_ACC_G2G is enabled and the data type is FP64.
If __DBCSR_ACC is enabled, norms are calculated on the GPU and MPI calls reference buffers on the GPU device. Input matrices are copied from host to device only once. For the right matrix, transpose kernel is also called only once and the transposed matrix is transferred over MPI to neighbors.
If __DBCSR_ACC is not enabled, all calculations are performed on the CPU and MPI calls reference host buffers.
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(dbcsr_2d_array_type), | POINTER | :: | left_set |
set of imaged left matrices set of imaged right matrices |
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| type(dbcsr_2d_array_type), | POINTER | :: | right_set |
set of imaged left matrices set of imaged right matrices |
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| type(dbcsr_type), | intent(inout) | :: | product_matrix |
DBCSR product matrix |
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| logical, | intent(in), | optional | :: | retain_sparsity |
retain the sparsity of the existing product matrix; default is no |
|
| real(kind=real_8), | intent(in), | optional | :: | filter_eps | ||
| integer(kind=int_8), | intent(out) | :: | flop |
effective flop |
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| logical, | intent(in) | :: | keep_product_data |
SUBROUTINE multiply_cannon_g2g(left_set, right_set, product_matrix, & retain_sparsity, & filter_eps, flop, keep_product_data) !! Multiplies two DBCSR matrices !! !! This function is expected to be called only if __DBCSR_ACC_G2G !! is enabled and the data type is FP64. !! !! If __DBCSR_ACC is enabled, norms are calculated on the GPU and !! MPI calls reference buffers on the GPU device. Input matrices !! are copied from host to device only once. For the right matrix, !! transpose kernel is also called only once and the transposed !! matrix is transferred over MPI to neighbors. !! !! If __DBCSR_ACC is not enabled, all calculations are performed on !! the CPU and MPI calls reference host buffers. TYPE(dbcsr_2d_array_type), POINTER :: left_set, right_set !! set of imaged left matrices !! set of imaged right matrices TYPE(dbcsr_type), INTENT(INOUT) :: product_matrix !! DBCSR product matrix LOGICAL, INTENT(IN), OPTIONAL :: retain_sparsity !! retain the sparsity of the existing product matrix; default is no REAL(kind=real_8), INTENT(in), OPTIONAL :: filter_eps INTEGER(KIND=int_8), INTENT(OUT) :: flop !! effective flop LOGICAL, INTENT(IN) :: keep_product_data CHARACTER(len=*), PARAMETER :: routineN = 'multiply_cannon' INTEGER, PARAMETER :: idata = 1, ileft = 0, imeta = 2, & iright = 2 INTEGER :: data_type, data_type_byte, handle, handle1, handle2, handle3, i, ithread, & left_col_image, left_col_mult, left_col_nimages, left_dst_icol, left_dst_irow, & left_dst_p, left_dst_pcol, left_dst_prow, left_dst_vcol, left_dst_vrow, left_max_nblks, & left_max_nze, left_myfirstvcol, left_myfirstvrow, left_mypcol, left_myprow, left_npcols, & left_nprows, left_recv_icol, left_recv_irow, left_recv_p, left_recv_pcol, left_recv_prow, & left_recv_vcol, left_recv_vrow, left_row_image, left_row_mult, left_row_nimages, & left_send_icol, left_send_irow, left_send_p, left_send_pcol, left_send_prow INTEGER :: left_send_vcol, left_send_vrow, left_src_icol, left_src_irow, left_src_p, & left_src_pcol, left_src_prow, left_src_vcol, left_src_vrow, metronome, min_nimages, & mynode, nblkrows_used, nsteps_k, nthreads, numnodes, nvirt_k, & output_unit, right_col_image, right_col_mult, right_col_nimages, right_dst_icol, & right_dst_irow, right_dst_p, right_dst_pcol, right_dst_prow, right_dst_vcol, & right_dst_vrow, right_max_nblks, right_max_nze, right_myfirstvcol, right_myfirstvrow, & right_mypcol, right_myprow, right_npcols, right_nprows, right_recv_icol, right_recv_irow INTEGER :: right_recv_p, right_recv_pcol, right_recv_prow, right_recv_vcol, right_recv_vrow, & right_row_image, right_row_mult, right_row_nimages, right_send_icol, right_send_irow, & right_send_p, right_send_pcol, right_send_prow, right_send_vcol, right_send_vrow, & right_src_icol, right_src_irow, right_src_p, right_src_pcol, right_src_prow, & right_src_vcol, right_src_vrow, row, size_guess, size_guess_init, stat, threads_finished, & threads_finished_read, v_ki, v_ki_left, v_ki_right, max_nblks INTEGER :: left_numnodes, right_numnodes, left_mynode, right_mynode INTEGER :: msglen INTEGER(KIND=int_8) :: flop_single, flop_total, mem INTEGER, ALLOCATABLE, DIMENSION(:) :: row_counts, total_row_counts INTEGER, ALLOCATABLE, DIMENSION(:, :, :) :: left_sizes, my_sizes, right_sizes INTEGER, ALLOCATABLE, DIMENSION(:, :, :, :) :: all_sizes INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: col_blk_sizes2enum, enum2col_blk_sizes, & enum2row_blk_sizes, m_sizes, n_sizes, & row_blk_sizes2enum, left_index_rp, left_index_sp, & right_index_rp, right_index_sp INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: k_sizes INTEGER, DIMENSION(:, :), POINTER, CONTIGUOUS :: left_pgrid, product_pgrid, right_pgrid INTEGER, SAVE :: mult_id = 0 LOGICAL :: keep_sparsity, list_indexing, & otf_filtering LOGICAL :: copy_left, copy_right REAL(kind=sp), ALLOCATABLE, DIMENSION(:) :: left_norms, right_norms, & row_max_epss REAL(kind=sp) :: filter_eps_sp TYPE(dbcsr_2d_array_type), POINTER :: left_buffer_2, left_buffer_calc, & left_buffer_comm, right_buffer_2, right_buffer_calc, right_buffer_comm TYPE(dbcsr_data_obj) :: left_data_rp, left_data_sp, & right_data_rp, right_data_sp TYPE(dbcsr_data_obj), POINTER :: trs_stackbuf_calc, & trs_stackbuf_comm TYPE(dbcsr_data_obj), TARGET :: trs_stackbuf_1, trs_stackbuf_2 TYPE(dbcsr_data_obj) :: normsbuf, offsetsbuf, nelemsbuf TYPE(dbcsr_mm_multrec_type_p), DIMENSION(:), ALLOCATABLE :: multrec TYPE(dbcsr_mp_obj) :: left_mp_obj, product_mp_obj, & right_mp_obj TYPE(mp_comm_type) :: grp, left_grp, right_grp, mp_group TYPE(mp_request_type), DIMENSION(:), ALLOCATABLE :: left_data_rr, left_data_sr, left_index_rr, & left_index_sr, right_data_rr, right_data_sr, right_index_rr, right_index_sr ! --------------------------------------------------------------------------- CALL timeset(routineN, handle) NULLIFY (trs_stackbuf_calc, trs_stackbuf_comm) NULLIFY (row_blk_sizes2enum, enum2row_blk_sizes) NULLIFY (col_blk_sizes2enum, enum2col_blk_sizes) NULLIFY (k_sizes) ! ALLOCATE (left_buffer_2, right_buffer_2) mult_id = mult_id + 1 IF (PRESENT(retain_sparsity)) THEN keep_sparsity = retain_sparsity ELSE keep_sparsity = .FALSE. END IF otf_filtering = PRESENT(filter_eps) !$OMP PARALLEL DEFAULT (NONE) & !$OMP SHARED (multrec, nthreads, product_matrix) !$OMP MASTER nthreads = 1 !$ nthreads = OMP_GET_NUM_THREADS() IF (.NOT. ASSOCIATED(product_matrix%wms)) & DBCSR_ABORT("Work matrices do not exist") IF (SIZE(product_matrix%wms) .NE. nthreads) & DBCSR_ABORT("Work matrices not correctly sized.") ALLOCATE (multrec(0:nthreads - 1)) !$OMP END MASTER !$OMP END PARALLEL output_unit = default_output_unit flop_total = 0 ! Set up variables data_type = dbcsr_get_data_type(product_matrix) data_type_byte = dbcsr_datatype_sizeof(data_type) left_row_nimages = left_set%image_dist%i%row_decimation left_row_mult = left_set%image_dist%i%row_multiplicity left_col_nimages = left_set%image_dist%i%col_decimation left_col_mult = left_set%image_dist%i%col_multiplicity right_row_nimages = right_set%image_dist%i%row_decimation right_row_mult = right_set%image_dist%i%row_multiplicity right_col_nimages = right_set%image_dist%i%col_decimation right_col_mult = right_set%image_dist%i%col_multiplicity left_mp_obj = dbcsr_distribution_mp(left_set%image_dist%i%main) right_mp_obj = dbcsr_distribution_mp(right_set%image_dist%i%main) product_mp_obj = dbcsr_distribution_mp(product_matrix%dist) numnodes = dbcsr_mp_numnodes(product_mp_obj) mynode = dbcsr_mp_mynode(product_mp_obj) left_nprows = dbcsr_mp_nprows(left_mp_obj) left_npcols = dbcsr_mp_npcols(left_mp_obj) left_myprow = dbcsr_mp_myprow(left_mp_obj) left_mypcol = dbcsr_mp_mypcol(left_mp_obj) left_myfirstvrow = dbcsr_mp_myprow(left_mp_obj)*left_row_nimages left_myfirstvcol = dbcsr_mp_mypcol(left_mp_obj)*left_col_nimages right_nprows = dbcsr_mp_nprows(right_mp_obj) right_npcols = dbcsr_mp_npcols(right_mp_obj) right_myprow = dbcsr_mp_myprow(right_mp_obj) right_mypcol = dbcsr_mp_mypcol(right_mp_obj) right_myfirstvrow = dbcsr_mp_myprow(right_mp_obj)*right_row_nimages right_myfirstvcol = dbcsr_mp_mypcol(right_mp_obj)*right_col_nimages mp_group = dbcsr_mp_group(product_mp_obj) left_pgrid => dbcsr_mp_pgrid(left_mp_obj) right_pgrid => dbcsr_mp_pgrid(right_mp_obj) product_pgrid => dbcsr_mp_pgrid(product_mp_obj) CALL dbcsr_mp_grid_setup(product_mp_obj) CALL dbcsr_mp_grid_setup(left_mp_obj) CALL dbcsr_mp_grid_setup(right_mp_obj) ! ! Dummy checks ! left/right matching IF (left_col_nimages .NE. right_row_mult) & DBCSR_ABORT("Left/Right image mismatch") IF (left_col_mult .NE. right_row_nimages) & DBCSR_ABORT("Left/Right image mismatch") IF (left_col_nimages*left_npcols .NE. right_row_nimages*right_nprows) & DBCSR_ABORT("Left/Right total mismatch") ! product/left matching IF (left_row_mult*dbcsr_mp_nprows(product_mp_obj) .NE. left_row_nimages*left_nprows) & DBCSR_ABORT("Product/Left total mismatch") ! product/left matching IF (right_col_mult*dbcsr_mp_npcols(product_mp_obj) .NE. right_col_nimages*right_npcols) & DBCSR_ABORT("Product/Right total mismatch") ! Limitations IF (left_row_nimages .NE. 1) & DBCSR_ABORT("Product/Left matrix process grid mismatch") IF (left_row_mult .NE. 1) & DBCSR_ABORT("Product/Left matrix process grid mismatch") IF (right_col_nimages .NE. 1) & DBCSR_ABORT("Product/Right matrix process grid mismatch") IF (right_col_mult .NE. 1) & DBCSR_ABORT("Product/Right matrix process grid mismatch") dbcsr_mpi_statistics%nimages = MAX(dbcsr_mpi_statistics%nimages, left_row_nimages*left_col_nimages) dbcsr_mpi_statistics%nimages = MAX(dbcsr_mpi_statistics%nimages, right_row_nimages*right_col_nimages) ! ! Exchange size data ALLOCATE (my_sizes(4, MAX(left_row_nimages, right_row_nimages), & MAX(left_col_nimages, right_col_nimages))) my_sizes(:, :, :) = 0 DO left_row_image = 1, left_row_nimages DO left_col_image = 1, left_col_nimages my_sizes(idata + ileft, left_row_image, left_col_image) & = dbcsr_data_get_size_referenced( & left_set%mats(left_row_image, left_col_image)%data_area) my_sizes(imeta + ileft, left_row_image, left_col_image) = & left_set%mats(left_row_image, left_col_image)%index & (dbcsr_slot_size) END DO END DO DO right_row_image = 1, right_row_nimages DO right_col_image = 1, right_col_nimages my_sizes(idata + iright, right_row_image, right_col_image) & = dbcsr_data_get_size_referenced( & right_set%mats(right_row_image, right_col_image)%data_area) my_sizes(imeta + iright, right_row_image, right_col_image) = & right_set%mats(right_row_image, right_col_image)%index & (dbcsr_slot_size) END DO END DO ALLOCATE (all_sizes(4, LBOUND(my_sizes, 2):UBOUND(my_sizes, 2), & LBOUND(my_sizes, 3):UBOUND(my_sizes, 3), 0:numnodes - 1)) CALL mp_allgather(my_sizes, all_sizes, mp_group) ! ! Count the maximum possible multiplies per row for on-the-fly ! filtering. per_row_eps: IF (.NOT. otf_filtering) THEN ! These arrays must be valid when passed to called subroutines. ALLOCATE (left_norms(0), right_norms(0), row_max_epss(0), stat=stat) IF (stat .NE. 0) & DBCSR_ABORT("Could not allocate memory") ELSE IF (careful_mod) THEN IF (left_set%mats(1, 1)%bcsc) & DBCSR_ABORT("Can not do on-the-fly filtering with CSC-indexed matrices.") END IF IF (dbcsr_has_local_row_index(left_set%mats(1, 1))) THEN nblkrows_used = dbcsr_nblkrows_local(left_set%mats(1, 1)) ELSE nblkrows_used = dbcsr_nblkrows_total(left_set%mats(1, 1)) END IF ALLOCATE (row_max_epss(nblkrows_used), stat=stat) IF (stat .NE. 0) & DBCSR_ABORT("Could not allocate memory for left epsilons") ALLOCATE (row_counts(nblkrows_used), stat=stat) IF (stat .NE. 0) & DBCSR_ABORT("Could not allocate memory for left row counts") ! The summation could be done prow-locally but it would ! complicate the pre-row eps calculation. ALLOCATE (total_row_counts(nblkrows_used), stat=stat) IF (stat .NE. 0) & DBCSR_ABORT("Could not allocate memory for left row counts") ! Each prow member matrix (npcols * row_images) counts the ! blocks present in each of its rows. total_row_counts(:) = 0 DO left_row_image = 1, left_row_nimages DO left_col_image = 1, left_col_nimages list_indexing = & left_set%mats(left_row_image, left_col_image)%list_indexing IF (careful_mod) THEN IF (list_indexing) THEN IF ((left_set%mats(left_row_image, left_col_image)%nblks)*3 .NE. & SIZE(left_set%mats(left_row_image, left_col_image)%coo_l)) & DBCSR_ABORT("Row count mismatch") ELSE IF (nblkrows_used + 1 .NE. SIZE(left_set%mats(left_row_image, left_col_image)%row_p)) & DBCSR_ABORT("Row count mismatch") END IF END IF IF (list_indexing) THEN CALL count_bins( & left_set%mats(left_row_image, left_col_image)%nblks, & left_set%mats(left_row_image, left_col_image)%coo_l(1::3), & nblkrows_used, row_counts) ELSE CALL dbcsr_count_row_index( & left_set%mats(left_row_image, left_col_image)%row_p, & row_counts, nblkrows_used) END IF total_row_counts(:) = total_row_counts(:) & + row_counts(:) END DO END DO ! The counted blocks are then summed up CALL mp_sum(total_row_counts, dbcsr_mp_my_row_group(product_mp_obj)) ! and used to determine the maximum per-block epsilon. filter_eps_sp = REAL(filter_eps, KIND=KIND(row_max_epss)) !$OMP PARALLEL DO DEFAULT (NONE) & !$OMP SHARED(nblkrows_used,row_max_epss,filter_eps_sp,& !$OMP total_row_counts) DO row = 1, nblkrows_used row_max_epss(row) & = (filter_eps_sp & /REAL(MAX(1, total_row_counts(row)), KIND=KIND(row_max_epss)))**2 END DO !$OMP END PARALLEL DO ! DEALLOCATE (row_counts) DEALLOCATE (total_row_counts) END IF per_row_eps ! ! The main transfer loop goes through the virtual rows/columns. ! The number of steps may be smaller if the grid dimension is very ! non-optimal (both left column images and right row images are > ! 1). min_nimages = MIN(left_col_nimages, right_row_nimages) nvirt_k = left_npcols*left_col_nimages nsteps_k = nvirt_k/min_nimages ! ! Translate the all_sizes to account for pre-distribution. This ! is just done to simplify lookups. ALLOCATE (left_sizes(2, 0:left_nprows*left_row_nimages - 1, 0:nvirt_k - 1)) left_sizes = -1 DO left_src_vcol = 0, left_col_nimages*left_npcols - 1 DO left_src_vrow = 0, left_row_nimages*left_nprows - 1 ! Calculate what was shifted. The left_src_v{row,col} are ! the "source" rows/columns; the left_dst are the shifted ! targets where the data was placed in make_images. CALL image_calculator(left_set%image_dist, & prow=left_dst_prow, pcol=left_dst_pcol, & rowi=left_dst_irow, coli=left_dst_icol, & myvprow=left_src_vrow, myvpcol=left_src_vcol, & shifting='l') left_dst_p = left_pgrid(left_dst_prow, left_dst_pcol) left_sizes(idata, left_src_vrow, left_src_vcol) = & all_sizes( & idata + ileft, left_dst_irow, left_dst_icol, left_dst_p) left_sizes(imeta, left_src_vrow, left_src_vcol) = & all_sizes( & imeta + ileft, left_dst_irow, left_dst_icol, left_dst_p) END DO END DO ! ALLOCATE (right_sizes(2, 0:nvirt_k - 1, 0:right_npcols*right_col_nimages - 1)) right_sizes = -1 DO right_src_vcol = 0, right_col_nimages*right_npcols - 1 DO right_src_vrow = 0, right_row_nimages*right_nprows - 1 ! Calculate what was shifted. The right_src_v{row,col} are ! the "source" rows/columns; the right_dst are the shifted ! targets where the data was placed in make_images. CALL image_calculator(right_set%image_dist, & prow=right_dst_prow, pcol=right_dst_pcol, & rowi=right_dst_irow, coli=right_dst_icol, & myvprow=right_src_vrow, myvpcol=right_src_vcol, & shifting='r') right_dst_p = right_pgrid(right_dst_prow, right_dst_pcol) right_sizes(idata, right_src_vrow, right_src_vcol) = & all_sizes( & idata + iright, right_dst_irow, right_dst_icol, right_dst_p) right_sizes(imeta, right_src_vrow, right_src_vcol) = & all_sizes( & imeta + iright, right_dst_irow, right_dst_icol, right_dst_p) END DO END DO ! ! Setup product work areas left_max_nze = MAXVAL(all_sizes(idata + ileft, :, :, :)) left_max_nblks = MAXVAL(all_sizes(imeta + ileft, :, :, :)) right_max_nze = MAXVAL(all_sizes(idata + iright, :, :, :)) right_max_nblks = MAXVAL(all_sizes(imeta + iright, :, :, :)) !! ! Evaluate sizes for workspaces IF (.NOT. keep_sparsity) THEN IF (has_acc) THEN size_guess_init = product_matrix_size_guess(left_set%mats(1, 1), right_set%mats(1, 1), product_matrix, & left_max_nze, right_max_nze, & left_col_nimages, right_row_nimages, & nthreads) ELSE size_guess_init = 1 END IF END IF ithread = 0 !$OMP PARALLEL DEFAULT(NONE) & !$OMP PRIVATE (i, size_guess, ithread) & !$OMP SHARED (product_matrix, left_max_nze, right_max_nze) & !$OMP SHARED (left_set, right_set, & !$OMP left_col_nimages, right_row_nimages) & !$OMP SHARED (nthreads, keep_sparsity, mynode, size_guess_init) ! !$ ithread = OMP_GET_THREAD_NUM() ! The work arrays have to be setup (actually, not quite sure). i = ithread + 1 size_guess = product_matrix%wms(i)%datasize ! Should be minimal IF (.NOT. keep_sparsity) THEN size_guess = MAX(size_guess, size_guess_init) END IF CALL dbcsr_data_ensure_size(product_matrix%wms(i)%data_area, & size_guess) CALL dbcsr_data_set_size_referenced(product_matrix%wms(i)%data_area, & product_matrix%wms(i)%datasize) ! XXXXXXX a quick fix right now, allocation with size 1 might actually not be needed at all, ! but something expects this to be associated CALL ensure_array_size(product_matrix%wms(i)%row_i, ub=1) CALL ensure_array_size(product_matrix%wms(i)%col_i, ub=1) CALL ensure_array_size(product_matrix%wms(i)%blk_p, ub=1) !$OMP END PARALLEL ! update capacity of memory-pools, +1 for the dense case IF (ASSOCIATED(memtype_abpanel_1%pool)) & CALL dbcsr_mempool_limit_capacity(memtype_abpanel_1%pool, & capacity=left_row_mult*left_col_nimages + right_row_nimages*right_col_mult + 1) IF (ASSOCIATED(memtype_abpanel_2%pool)) & CALL dbcsr_mempool_limit_capacity(memtype_abpanel_2%pool, & capacity=left_row_mult*left_col_nimages + right_row_nimages*right_col_mult + 1) IF (has_acc) THEN ! enumerate the blocksizes to keep the following 2D-arrays small. CALL enumerate_blk_sizes(right_set%mats(1, 1)%row_blk_size%low%data, & dbcsr_max_row_size(right_set%mats(1, 1)), & row_blk_sizes2enum, enum2row_blk_sizes) CALL enumerate_blk_sizes(right_set%mats(1, 1)%col_blk_size%low%data, & dbcsr_max_col_size(right_set%mats(1, 1)), & col_blk_sizes2enum, enum2col_blk_sizes) END IF ! Save col and row communicators IF (dbcsr_mp_has_subgroups(right_mp_obj)) THEN right_grp = dbcsr_mp_my_col_group(right_mp_obj) ELSE right_grp = dbcsr_mp_group(right_mp_obj) END IF IF (dbcsr_mp_has_subgroups(left_mp_obj)) THEN left_grp = dbcsr_mp_my_row_group(left_mp_obj) ELSE left_grp = dbcsr_mp_group(left_mp_obj) END IF CALL mp_environ(left_numnodes, left_mynode, left_grp) CALL mp_environ(right_numnodes, right_mynode, right_grp) ! ! Setup the left buffer matrices ! CALL buffer_matrices_ensure_size(left_set, index_size=left_max_nblks, & data_size=left_max_nze) CALL setup_buffer_matrices(left_buffer_2, left_row_mult, left_col_nimages, & left_set%mats(1, 1), index_size=left_max_nblks, & data_size=left_max_nze) IF (otf_filtering) THEN ALLOCATE (left_norms(left_max_nblks), stat=stat) IF (stat .NE. 0) & DBCSR_ABORT("Could not allocate memory for left norms") IF (stat .NE. 0) otf_filtering = .FALSE. END IF left_buffer_calc => left_set left_buffer_comm => left_buffer_2 ALLOCATE (left_data_sr(left_col_nimages)) ALLOCATE (left_index_sr(left_col_nimages)) ALLOCATE (left_data_rr(left_col_nimages)) ALLOCATE (left_index_rr(left_col_nimages)) left_data_sr = mp_request_null left_data_rr = mp_request_null left_index_sr = mp_request_null left_index_rr = mp_request_null ! Setup buffers for right matrix CALL buffer_matrices_ensure_size(right_set, index_size=right_max_nblks, & data_size=right_max_nze) CALL setup_buffer_matrices(right_buffer_2, right_row_nimages, right_col_mult, & right_set%mats(1, 1), index_size=right_max_nblks, data_size=right_max_nze) IF (otf_filtering) THEN ALLOCATE (right_norms(right_max_nblks), stat=stat) IF (stat .NE. 0) & DBCSR_WARN("Could not allocate memory for right norms") IF (stat .NE. 0) otf_filtering = .FALSE. END IF IF (has_acc .and. otf_filtering) THEN max_nblks = MAX(left_max_nblks, right_max_nblks) CALL dbcsr_data_init(normsbuf) CALL dbcsr_data_new(normsbuf, data_type=dbcsr_type_real_4, & data_size=max_nblks, memory_type=memtype_normsbuf) CALL dbcsr_data_init(offsetsbuf) CALL dbcsr_data_new(offsetsbuf, data_type=dbcsr_type_int_4, & data_size=max_nblks, memory_type=memtype_offsetsbuf) CALL dbcsr_data_init(nelemsbuf) CALL dbcsr_data_new(nelemsbuf, data_type=dbcsr_type_int_4, & data_size=max_nblks, memory_type=memtype_nelemsbuf) END IF right_buffer_calc => right_set right_buffer_comm => right_buffer_2 ALLOCATE (right_data_sr(right_row_nimages)) ALLOCATE (right_index_sr(right_row_nimages)) ALLOCATE (right_data_rr(right_row_nimages)) ALLOCATE (right_index_rr(right_row_nimages)) right_data_sr = mp_request_null right_data_rr = mp_request_null right_index_sr = mp_request_null right_index_rr = mp_request_null ! ALLOCATE (m_sizes(dbcsr_nblkrows_local(product_matrix))) CALL local_filter(array_data(product_matrix%row_blk_size), array_size(product_matrix%local_rows), & array_data(product_matrix%local_rows), m_sizes) ALLOCATE (n_sizes(dbcsr_nblkcols_local(product_matrix))) CALL local_filter(array_data(product_matrix%col_blk_size), array_size(product_matrix%local_cols), & array_data(product_matrix%local_cols), n_sizes) ! !$OMP PARALLEL & !$OMP DEFAULT (NONE) & !$OMP SHARED (left_buffer_comm, right_buffer_comm, product_matrix,& !$OMP keep_sparsity, filter_eps, row_max_epss, multrec, nthreads, & !$OMP right_data_sr, right_data_rr, left_data_sr, left_data_rr,& !$OMP right_index_sr, right_index_rr, left_index_sr, left_index_rr,& !$OMP m_sizes, n_sizes, keep_product_data), & !$OMP PRIVATE(ithread) ithread = 0 !$ ithread = OMP_GET_THREAD_NUM() ALLOCATE (multrec(ithread)%p) CALL dbcsr_mm_multrec_init(multrec(ithread)%p, & product=product_matrix, & keep_sparsity=keep_sparsity, & eps=filter_eps, & row_max_epss=row_max_epss, & block_estimate=MAX(product_matrix%nblks, & left_buffer_comm%mats(1, 1)%nblks, & right_buffer_comm%mats(1, 1)%nblks)/nthreads, & right_row_blk_size=array_data(right_buffer_comm%mats(1, 1)%row_blk_size), & m_sizes=m_sizes, n_sizes=n_sizes, & keep_product_data=keep_product_data) !$OMP END PARALLEL ! ! Setup indexing CALL setup_rec_index_2d(left_set, left_row_nimages, left_col_nimages) CALL setup_rec_index_2d(right_set, right_row_nimages, right_col_nimages) ! ! Setup the send/receive data pointers CALL dbcsr_data_init(left_data_sp) CALL dbcsr_data_init(left_data_rp) CALL dbcsr_data_init(right_data_sp) CALL dbcsr_data_init(right_data_rp) CALL dbcsr_data_new(left_data_sp, data_type) CALL dbcsr_data_new(left_data_rp, data_type) CALL dbcsr_data_new(right_data_sp, data_type) CALL dbcsr_data_new(right_data_rp, data_type) ! Setup transpose stackbuffers IF (has_acc) THEN CALL dbcsr_data_init(trs_stackbuf_1) CALL dbcsr_data_init(trs_stackbuf_2) CALL dbcsr_data_new(trs_stackbuf_1, data_type=dbcsr_type_int_4, & data_size=2*right_max_nblks, memory_type=memtype_trsbuffer_1) CALL dbcsr_data_new(trs_stackbuf_2, data_type=dbcsr_type_int_4, & data_size=2*right_max_nblks, memory_type=memtype_trsbuffer_2) trs_stackbuf_calc => trs_stackbuf_1 trs_stackbuf_comm => trs_stackbuf_2 END IF ! ! Reset indices for virtual images v_ki_right = 0 v_ki_left = 0 ! ! Here is the main loop. ! ! In the first loop iteration, the data is fetched from the ! sources. In the remaining iterations, the data are exchanged ! among neighbors. In the last loop only calculations take place. ! CALL timeset(routineN//"_loop", handle1) copy_left = .true. copy_right = .true. ! grouped_k_index: DO metronome = 0, nvirt_k - 1 ! Wait for right matrix transfer completion. Wait in all but ! the first loop iteration. CALL timeset(routineN//"_metrocomm1", handle2) wait_right: IF (v_ki_right .EQ. right_row_nimages) THEN ! Reset index v_ki_right = 0 IF (debug_mod) WRITE (*, '(1X,A)') routineN//" waiting for right" ! CALL mp_waitall(right_data_sr) CALL mp_waitall(right_data_rr) CALL mp_waitall(right_index_sr) CALL mp_waitall(right_index_rr) ! ! Repoint indices of right matrices DO v_ki = 0, right_row_nimages - 1 CALL dbcsr_repoint_index(right_buffer_calc%mats(v_ki + 1, 1)) right_buffer_calc%mats(v_ki + 1, 1)%valid = .TRUE. END DO END IF wait_right CALL timestop(handle2) ! ! Wait for left matrix transfer completion. Wait in all but ! the first loop iteration. CALL timeset(routineN//"_metrocomm3", handle2) wait_left: IF (v_ki_left .EQ. left_col_nimages) THEN ! Reset index v_ki_left = 0 IF (debug_mod) WRITE (*, '(1X,A)') routineN//" waiting for left" CALL mp_waitall(left_data_sr) CALL mp_waitall(left_data_rr) CALL mp_waitall(left_index_sr) CALL mp_waitall(left_index_rr) ! ! Repoint indices of left matrices DO v_ki = 0, left_col_nimages - 1 CALL dbcsr_repoint_index(left_buffer_calc%mats(1, v_ki + 1)) left_buffer_calc%mats(1, v_ki + 1)%valid = .TRUE. END DO END IF wait_left CALL timestop(handle2) v_ki_left = v_ki_left + 1 v_ki_right = v_ki_right + 1 IF (debug_mod) THEN CALL dbcsr_print(left_buffer_calc%mats(1, v_ki_left), nodata=.TRUE.) CALL dbcsr_print(right_buffer_calc%mats(v_ki_right, 1), nodata=.TRUE.) END IF ! ! from here the code for dbcsr_mm_driver_inner_init was taken ! IF (.FALSE.) WRITE (*, *) routineN//" TICK", metronome ! Since the right matrix is shifted vertically, the ! received data always has different notions of "local ! rows". Thus the local_rows and global_rows must be ! recalculated. CALL dbcsr_reset_vlocals(right_buffer_calc%mats(v_ki_right, 1), & right_set%image_dist) CALL dbcsr_reset_vlocals(left_buffer_calc%mats(1, v_ki_left), & left_set%image_dist) ! CALL ensure_array_size(k_sizes, ub=array_size(right_buffer_calc%mats(v_ki_right, 1)%local_rows)) CALL local_filter(array_data(right_buffer_calc%mats(v_ki_right, 1)%row_blk_size), & array_size(right_buffer_calc%mats(v_ki_right, 1)%local_rows), & array_data(right_buffer_calc%mats(v_ki_right, 1)%local_rows), & k_sizes) ! ! Transfer left and right buffers from host to GPU memory IF (has_acc) THEN IF (copy_left) THEN ! copy left buffer images to device DO v_ki = 1, left_col_nimages CALL dbcsr_data_host2dev(left_buffer_calc%mats(1, v_ki)%data_area) CALL timeset(routineN//"_sync_h2d", handle2) CALL acc_stream_synchronize(left_buffer_calc%mats(1, v_ki)%data_area%d%memory_type%acc_stream) CALL timestop(handle2) END DO copy_left = .false. END IF ! calculate norms for matrices in left buffer IF (otf_filtering) THEN left_norms(:) = huge_norm CALL acc_calculate_norms(left_buffer_calc%mats(1, v_ki_left), & left_norms, normsbuf, offsetsbuf, nelemsbuf, m_sizes, k_sizes) END IF IF (copy_right) THEN ! copy right buffer images to device DO v_ki = 1, right_row_nimages CALL dbcsr_data_host2dev(right_buffer_calc%mats(v_ki, 1)%data_area) CALL timeset(routineN//"_sync_h2d", handle2) CALL acc_stream_synchronize(right_buffer_calc%mats(v_ki, 1)%data_area%d%memory_type%acc_stream) CALL timestop(handle2) ! now transpose right buffer image CALL acc_transpose_blocks(right_buffer_calc%mats(v_ki, 1), trs_stackbuf_calc, & k_sizes, n_sizes, & row_blk_sizes2enum, enum2row_blk_sizes, & col_blk_sizes2enum, enum2col_blk_sizes) END DO ! Wait for transpose to complete before proceeding CALL timeset(routineN//"_sync_h2d", handle2) CALL acc_stream_synchronize(trs_stackbuf_calc%d%memory_type%acc_stream) CALL timestop(handle2) copy_right = .false. END IF ! calculate norms for matrices in right buffer IF (otf_filtering) THEN right_norms(:) = huge_norm CALL acc_calculate_norms(right_buffer_calc%mats(v_ki_right, 1), & right_norms, normsbuf, offsetsbuf, nelemsbuf, k_sizes, n_sizes) END IF END IF ! ! Right matrix transfer. Transfer in all but the last loop ! iteration. xfer_right: IF (v_ki_right .EQ. 1 .AND. metronome + right_row_nimages .LT. nvirt_k) THEN DO v_ki = 0, right_row_nimages - 1 ! Calculate the process to send to. It's the virtual ! process row -min_nimages up (i.e., smaller row number) ! from me. CALL image_calculator(right_set%image_dist, & prow=right_send_prow, rowi=right_send_irow, & ! output pcol=right_send_pcol, coli=right_send_icol, & ! output vprow=right_send_vrow, vpcol=right_send_vcol, & ! output ! myvprow goes through all of my (process row) images myvprow=v_ki + right_myfirstvrow, & myvpcol=right_myfirstvcol, & ! nothing happens in the columns vprow_shift=-right_row_nimages, & shifting='0') ! Calculate which data I send. CALL image_calculator(right_set%image_dist, & prow=right_dst_prow, rowi=right_dst_irow, & pcol=right_dst_pcol, coli=right_dst_icol, & vprow=right_dst_vrow, vpcol=right_dst_vcol, & ! myvprows goes through all of my (process row) images myvprow=v_ki + right_myfirstvrow, & myvpcol=right_myfirstvcol, & ! nothing happens in the columns vprow_shift=metronome, & ! This is with relative shifting. shifting='R') right_dst_p = right_pgrid(right_dst_prow, right_dst_pcol) CALL dbcsr_data_set_pointer( & area=right_data_sp, & rsize=right_sizes(idata, right_dst_vrow, right_dst_vcol), & csize=1, & pointee=right_buffer_calc%mats(v_ki + 1, 1)%data_area) right_index_sp => right_buffer_calc%mats( & v_ki + 1, 1 & )%index(1: & right_sizes(imeta, right_dst_vrow, right_dst_vcol)) ! ! Calculate the process to receive from CALL image_calculator(right_set%image_dist, & prow=right_recv_prow, rowi=right_recv_irow, & pcol=right_recv_pcol, coli=right_recv_icol, & vprow=right_recv_vrow, vpcol=right_recv_vcol, & myvprow=v_ki + right_myfirstvrow, & myvpcol=right_myfirstvcol, & vprow_shift=+right_row_nimages, & ! just the opposite as "send to" shifting='0') ! Calculate which data I receive CALL image_calculator(right_set%image_dist, & prow=right_src_prow, rowi=right_src_irow, & pcol=right_src_pcol, coli=right_src_icol, & vprow=right_src_vrow, vpcol=right_src_vcol, & myvprow=v_ki + right_myfirstvrow, & myvpcol=right_myfirstvcol, & ! receive window moves with the metronome vprow_shift=metronome + right_row_nimages, & shifting='R') ! IF (has_acc) THEN CALL timeset(routineN//"_acc_sync_right", handle3) CALL acc_event_synchronize(right_buffer_comm%mats(v_ki + 1, 1)%data_area%d%acc_ready) CALL timestop(handle3) END IF right_src_p = right_pgrid(right_src_prow, right_src_pcol) CALL dbcsr_data_set_pointer( & area=right_data_rp, & rsize=right_sizes(idata, right_src_vrow, right_src_vcol), & csize=1, & pointee=right_buffer_comm%mats(v_ki + 1, 1)%data_area) right_index_rp => right_buffer_comm%mats( & v_ki + 1, 1 & )%index(1: & right_sizes(imeta, right_src_vrow, right_src_vcol)) ! right_send_p = right_pgrid(right_send_prow, right_send_pcol) right_recv_p = right_pgrid(right_recv_prow, right_recv_pcol) ! These are column-communicator relative IF (dbcsr_mp_has_subgroups(right_mp_obj)) THEN right_send_p = right_send_prow right_recv_p = right_recv_prow grp = dbcsr_mp_my_col_group(right_mp_obj) ELSE grp = dbcsr_mp_group(right_mp_obj) END IF ! CALL timeset(routineN//"_metrocomm2", handle2) IF (.not. has_acc) THEN CALL dbcsr_irecv_any(right_data_rp, right_recv_p, & grp, right_data_rr(v_ki + 1), tag=right_src_vrow) ELSE msglen = right_sizes(idata, right_src_vrow, right_src_vcol) #if defined (__DBCSR_ACC) CALL C_F_POINTER(acc_devmem_cptr(right_buffer_comm%mats( & v_ki + 1, 1)%data_area%d%acc_devmem), & right_data_rp%d%r_dp, (/msglen/)) #endif CALL mp_irecv(right_data_rp%d%r_dp, & right_recv_p, grp, & right_data_rr(v_ki + 1), tag=right_src_vrow) END IF CALL mp_irecv(right_index_rp, right_recv_p, & grp, right_index_rr(v_ki + 1), tag=right_src_vrow) IF (.not. has_acc) THEN CALL dbcsr_isend_any(right_data_sp, right_send_p, & grp, right_data_sr(v_ki + 1), tag=right_dst_vrow) ELSE msglen = right_sizes(idata, right_dst_vrow, right_dst_vcol) #if defined (__DBCSR_ACC) CALL C_F_POINTER(acc_devmem_cptr(right_buffer_calc%mats( & v_ki + 1, 1)%data_area%d%acc_devmem), & right_data_sp%d%r_dp, (/msglen/)) #endif CALL mp_isend(right_data_sp%d%r_dp, & right_send_p, grp, & right_data_sr(v_ki + 1), tag=right_dst_vrow) END IF CALL mp_isend(right_index_sp, right_send_p, & grp, right_index_sr(v_ki + 1), tag=right_dst_vrow) dbcsr_mpi_statistics%nexchanged = dbcsr_mpi_statistics%nexchanged + 1 CALL count_mpi_statistics(dbcsr_mpi_statistics%data_size(1, :), & dbcsr_data_get_size(right_data_rp), & data_type_byte, & dbcsr_mpi_statistics%data_size_breakdown(:, :, 1)) CALL timestop(handle2) END DO END IF xfer_right ! ! Left matrix transfer. Transfer in all but the last processor images. xfer_left: IF (v_ki_left .EQ. 1 .AND. metronome + left_col_nimages .LT. nvirt_k) THEN DO v_ki = 0, left_col_nimages - 1 ! Calculate the process to send to. CALL image_calculator(left_set%image_dist, & prow=left_send_prow, rowi=left_send_irow, & ! output pcol=left_send_pcol, coli=left_send_icol, & ! output vprow=left_send_vrow, vpcol=left_send_vcol, & ! output myvprow=left_myfirstvrow, & ! nothing happens in the rows ! go through all my column images myvpcol=v_ki + left_myfirstvcol, & ! send to process left_col_nimages left in the grid vpcol_shift=-left_col_nimages, & shifting='0') ! Calculate which data I send. CALL image_calculator(left_set%image_dist, & prow=left_dst_prow, rowi=left_dst_irow, & pcol=left_dst_pcol, coli=left_dst_icol, & vprow=left_dst_vrow, vpcol=left_dst_vcol, & myvprow=left_myfirstvrow, & ! go through all my column images myvpcol=v_ki + left_myfirstvcol, & vpcol_shift=metronome, & ! This is with relative shifting. shifting='L') ! left_dst_p = left_pgrid(left_dst_prow, left_dst_pcol) CALL dbcsr_data_set_pointer( & area=left_data_sp, & rsize=left_sizes(idata, left_dst_vrow, left_dst_vcol), & csize=1, & pointee=left_buffer_calc%mats(1, v_ki + 1)%data_area) left_index_sp => left_buffer_calc%mats( & 1, v_ki + 1 & )%index(1: & left_sizes(imeta, left_dst_vrow, left_dst_vcol)) ! ! Calculate the process to receive from CALL image_calculator(left_set%image_dist, & prow=left_recv_prow, rowi=left_recv_irow, & pcol=left_recv_pcol, coli=left_recv_icol, & vprow=left_recv_vrow, vpcol=left_recv_vcol, & myvprow=left_myfirstvrow, & myvpcol=v_ki + left_myfirstvcol, & vpcol_shift=+left_col_nimages, & ! just the opposite as "send to" shifting='0') ! Calculate which data I receive CALL image_calculator(left_set%image_dist, & prow=left_src_prow, rowi=left_src_irow, & pcol=left_src_pcol, coli=left_src_icol, & vprow=left_src_vrow, vpcol=left_src_vcol, & myvprow=left_myfirstvrow, & myvpcol=v_ki + left_myfirstvcol, & ! receive window moves with the metronome vpcol_shift=metronome + left_col_nimages, & shifting='L') ! IF (has_acc) THEN CALL timeset(routineN//"_acc_sync_left", handle3) CALL acc_event_synchronize(left_buffer_comm%mats(1, v_ki + 1)%data_area%d%acc_ready) CALL timestop(handle3) END IF left_src_p = left_pgrid(left_src_prow, left_src_pcol) CALL dbcsr_data_set_pointer( & area=left_data_rp, & rsize=left_sizes(idata, left_src_vrow, left_src_vcol), & csize=1, & pointee=left_buffer_comm%mats(1, v_ki + 1)%data_area) left_index_rp => left_buffer_comm%mats( & 1, v_ki + 1 & )%index(1: & left_sizes(imeta, left_src_vrow, left_src_vcol)) ! left_send_p = left_pgrid(left_send_prow, left_send_pcol) left_recv_p = left_pgrid(left_recv_prow, left_recv_pcol) ! These are column-communicator relative IF (dbcsr_mp_has_subgroups(left_mp_obj)) THEN left_send_p = left_send_pcol left_recv_p = left_recv_pcol grp = dbcsr_mp_my_row_group(left_mp_obj) ELSE grp = dbcsr_mp_group(left_mp_obj) END IF ! CALL timeset(routineN//"_metrocomm4", handle2) IF (.not. has_acc) THEN CALL dbcsr_irecv_any(left_data_rp, left_recv_p, & grp, left_data_rr(v_ki + 1), tag=left_src_vcol) ELSE msglen = left_sizes(idata, left_src_vrow, left_src_vcol) #if defined (__DBCSR_ACC) CALL C_F_POINTER(acc_devmem_cptr(left_buffer_comm%mats( & 1, v_ki + 1)%data_area%d%acc_devmem), & left_data_rp%d%r_dp, (/msglen/)) #endif CALL mp_irecv(left_data_rp%d%r_dp, & left_recv_p, grp, & left_data_rr(v_ki + 1), tag=left_src_vcol) END IF CALL mp_irecv(left_index_rp, left_recv_p, & grp, left_index_rr(v_ki + 1), tag=left_src_vcol) IF (.not. has_acc) THEN CALL dbcsr_isend_any(left_data_sp, left_send_p, & grp, left_data_sr(v_ki + 1), tag=left_dst_vcol) ELSE msglen = left_sizes(idata, left_dst_vrow, left_dst_vcol) #if defined (__DBCSR_ACC) CALL C_F_POINTER(acc_devmem_cptr(left_buffer_calc%mats( & 1, v_ki + 1)%data_area%d%acc_devmem), & left_data_sp%d%r_dp, (/msglen/)) #endif CALL mp_isend(left_data_sp%d%r_dp, & left_send_p, grp, & left_data_sr(v_ki + 1), tag=left_dst_vcol) END IF CALL mp_isend(left_index_sp, left_send_p, & grp, left_index_sr(v_ki + 1), tag=left_dst_vcol) dbcsr_mpi_statistics%nexchanged = dbcsr_mpi_statistics%nexchanged + 1 CALL count_mpi_statistics(dbcsr_mpi_statistics%data_size(2, :), & dbcsr_data_get_size(left_data_rp), & data_type_byte, & dbcsr_mpi_statistics%data_size_breakdown(:, :, 2)) CALL timestop(handle2) END DO END IF xfer_left ! Do multiplication ! If no GPU backend, calculate norms on the CPU IF (otf_filtering .and. .not. has_acc) THEN left_norms(:) = huge_norm right_norms(:) = huge_norm CALL calculate_norms(right_buffer_calc%mats(v_ki_right, 1), & right_norms, k_sizes, n_sizes) CALL calculate_norms(left_buffer_calc%mats(1, v_ki_left), & left_norms, m_sizes, k_sizes) END IF ! flop_single = 0 threads_finished = 0 !$OMP PARALLEL DEFAULT (NONE) & !$OMP SHARED (left_buffer_calc, right_buffer_calc, & !$OMP v_ki_left, v_ki_right, handle2, handle3, & !$OMP product_matrix, multrec,& !$OMP filter_eps, right_norms, left_norms, row_max_epss, & !$OMP keep_sparsity,threads_finished, & !$OMP right_data_sr, right_data_rr, right_index_sr, right_index_rr, & !$OMP left_data_sr, left_data_rr, left_index_sr, left_index_rr, & !$OMP dbcsr_cfg, k_sizes, nvirt_k, metronome) & !$OMP PRIVATE (ithread,nthreads,threads_finished_read) & !$OMP REDUCTION (+: flop_single) ithread = 0; nthreads = 1 !$ ithread = omp_get_thread_num(); nthreads = omp_get_num_threads() CALL timeset(routineN//"_multrec", handle2) CALL dbcsr_mm_multrec_multiply(multrec(ithread)%p, & left=left_buffer_calc%mats(1, v_ki_left), & right=right_buffer_calc%mats(v_ki_right, 1), & flop=flop_single, & a_norms=left_norms, b_norms=right_norms, & k_sizes=k_sizes) IF (metronome == nvirt_k - 1) THEN CALL timeset(routineN//"_multrec_finalize", handle3) CALL dbcsr_mm_multrec_finalize(multrec(ithread)%p) DEALLOCATE (multrec(ithread)%p) CALL timestop(handle3) END IF !$OMP ATOMIC threads_finished = threads_finished + 1 IF (dbcsr_cfg%use_comm_thread%val .AND. (ithread .EQ. 0)) THEN DO ! requires OMP 3.1 (e.g. gcc >=4.7), for correctness, otherwise we keep fingers crossed #if defined _OPENMP && _OPENMP >= 200711 !$OMP ATOMIC READ #endif threads_finished_read = threads_finished IF (threads_finished_read .EQ. nthreads) EXIT ! Using MPI_Testany to trigger forward progress in MPI CALL mp_testany(right_data_sr) CALL mp_testany(right_data_rr) CALL mp_testany(left_data_sr) CALL mp_testany(left_data_rr) CALL mp_testany(right_index_sr) CALL mp_testany(right_index_rr) CALL mp_testany(left_index_sr) CALL mp_testany(left_index_rr) END DO END IF !$OMP BARRIER CALL timestop(handle2) !$OMP END PARALLEL flop_total = flop_total + flop_single ! ! Move to the next images IF (v_ki_left .EQ. left_col_nimages) THEN CALL dbcsr_switch(left_buffer_calc, left_buffer_comm) END IF IF (v_ki_right .EQ. right_row_nimages) THEN CALL dbcsr_switch(right_buffer_calc, right_buffer_comm) CALL dbcsr_switch(trs_stackbuf_calc, trs_stackbuf_comm) END IF END DO grouped_k_index CALL timestop(handle1) CALL m_memory(mem) max_memory = MAX(max_memory, REAL(mem)) IF (has_acc) THEN CALL dbcsr_data_release(trs_stackbuf_1) CALL dbcsr_data_release(trs_stackbuf_2) DEALLOCATE (row_blk_sizes2enum, enum2row_blk_sizes) DEALLOCATE (col_blk_sizes2enum, enum2col_blk_sizes) IF (otf_filtering) THEN CALL dbcsr_data_release(normsbuf) CALL dbcsr_data_release(offsetsbuf) CALL dbcsr_data_release(nelemsbuf) END IF END IF IF (ALLOCATED(right_norms)) THEN DEALLOCATE (right_norms) END IF IF (ALLOCATED(left_norms)) THEN DEALLOCATE (left_norms) END IF IF (ALLOCATED(row_max_epss)) THEN DEALLOCATE (row_max_epss) END IF ! CALL dbcsr_destroy_array(right_buffer_2) CALL dbcsr_destroy_array(left_buffer_2) DEALLOCATE (my_sizes) ! CALL dbcsr_data_clear_pointer(left_data_sp) CALL dbcsr_data_clear_pointer(left_data_rp) CALL dbcsr_data_clear_pointer(right_data_sp) CALL dbcsr_data_clear_pointer(right_data_rp) CALL dbcsr_data_release(left_data_sp) CALL dbcsr_data_release(left_data_rp) CALL dbcsr_data_release(right_data_sp) CALL dbcsr_data_release(right_data_rp) ! DEALLOCATE (left_data_rr, left_data_sr, left_index_rr, left_index_sr, & right_data_rr, right_data_sr, right_index_rr, right_index_sr) ! ! IF (debug_mod) THEN v_ki = 0 DO i = 1, SIZE(product_matrix%blk_p) v_ki = MAX(v_ki, ABS(product_matrix%blk_p(i))) END DO WRITE (*, *) routineN//" Actual final size", & LOG(REAL(dbcsr_data_get_size(product_matrix%data_area)))/LOG(10.0), & LOG(REAL(v_ki))/LOG(10.0) END IF ! flop = flop_total DEALLOCATE (left_buffer_2, right_buffer_2) DEALLOCATE (m_sizes, n_sizes) IF (ASSOCIATED(k_sizes)) DEALLOCATE (k_sizes) ! CALL timestop(handle) END SUBROUTINE multiply_cannon_g2g