# 1 "/__w/dbcsr/dbcsr/src/core/dbcsr_types.F" 1 !--------------------------------------------------------------------------------------------------! ! Copyright (C) by the DBCSR developers group - All rights reserved ! ! This file is part of the DBCSR library. ! ! ! ! For information on the license, see the LICENSE file. ! ! For further information please visit https://dbcsr.cp2k.org ! ! SPDX-License-Identifier: GPL-2.0+ ! !--------------------------------------------------------------------------------------------------! MODULE dbcsr_types !! DBCSR data types USE dbcsr_array_types, ONLY: array_i1d_obj USE dbcsr_btree, ONLY: btree_i8_cp2d, & btree_i8_dp2d, & btree_i8_sp2d, & btree_i8_zp2d USE dbcsr_data_types, ONLY: & dbcsr_data_area_type, dbcsr_data_obj, dbcsr_datatype_sizeof, dbcsr_memtype_default, & dbcsr_memtype_type, dbcsr_scalar_type, dbcsr_type_complex_4, dbcsr_type_complex_4_2d, & dbcsr_type_complex_8, dbcsr_type_complex_8_2d, dbcsr_type_complex_default, & dbcsr_type_int_4, dbcsr_type_real_4, dbcsr_type_real_4_2d, dbcsr_type_real_8, & dbcsr_type_real_8_2d, dbcsr_type_real_default USE dbcsr_kinds, ONLY: default_string_length, & int_8 USE dbcsr_mpiwrap, ONLY: mp_comm_type, mp_comm_null !$ USE OMP_LIB, ONLY: omp_get_max_threads, omp_get_thread_num, omp_get_num_threads IMPLICIT NONE PRIVATE CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'dbcsr_types' PUBLIC :: dbcsr_type, & dbcsr_scalar_type, & dbcsr_data_obj, & dbcsr_data_area_type, & dbcsr_work_type, & dbcsr_1d_array_type, & dbcsr_2d_array_type, & dbcsr_mp_obj, & dbcsr_distribution_obj, & dbcsr_imagedistribution_type, & dbcsr_imagedistribution_obj, & dbcsr_iterator, & dbcsr_mutable_obj, & dbcsr_type_p PUBLIC :: dbcsr_meta_size PUBLIC :: dbcsr_slot_size, & dbcsr_slot_row_p, & dbcsr_slot_col_i, & dbcsr_slot_blk_p, & dbcsr_slot_thr_c, & dbcsr_slot_coo_l, & dbcsr_slot_nblks, & dbcsr_slot_nze, & dbcsr_slot_dense, & dbcsr_slot_nblkrows_total, & dbcsr_slot_nblkcols_total, & dbcsr_slot_nfullrows_total, & dbcsr_slot_nfullcols_total, & dbcsr_slot_nblkrows_local, & dbcsr_slot_nblkcols_local, & dbcsr_slot_nfullrows_local, & dbcsr_slot_nfullcols_local, & dbcsr_slot_type, & dbcsr_slot_home_prow, & dbcsr_slot_home_pcol, & dbcsr_slot_home_rowi, & dbcsr_slot_home_coli, & dbcsr_slot_home_vprow, & dbcsr_slot_home_vpcol, & dbcsr_num_slots PUBLIC :: dbcsr_mpi_size_limits PUBLIC :: dbcsr_type_real_4, dbcsr_type_real_8, & dbcsr_type_complex_4, dbcsr_type_complex_8, & dbcsr_type_real_default, dbcsr_type_complex_default, & dbcsr_type_real_4_2d, dbcsr_type_real_8_2d, & dbcsr_type_complex_4_2d, dbcsr_type_complex_8_2d, & dbcsr_type_int_4 PUBLIC :: dbcsr_datatype_sizeof PUBLIC :: dbcsr_memtype_type, & dbcsr_memtype_default PUBLIC :: dbcsr_type_invalid, dbcsr_type_no_symmetry, dbcsr_type_symmetric, & dbcsr_type_antisymmetric, dbcsr_type_hermitian, dbcsr_type_antihermitian PUBLIC :: dbcsr_no_transpose, dbcsr_transpose, dbcsr_conjugate_transpose PUBLIC :: dbcsr_repl_none, dbcsr_repl_row, dbcsr_repl_col, dbcsr_repl_full PUBLIC :: dbcsr_filter_frobenius PUBLIC :: dbcsr_norm_frobenius, dbcsr_norm_maxabsnorm, & dbcsr_norm_gershgorin, dbcsr_norm_column PUBLIC :: dbcsr_func_inverse, dbcsr_func_tanh, dbcsr_func_dtanh, & dbcsr_func_ddtanh, dbcsr_func_artanh, dbcsr_func_inverse_special, & dbcsr_func_spread_from_zero, & dbcsr_func_sin, & dbcsr_func_dsin, & dbcsr_func_ddsin, & dbcsr_func_asin, & dbcsr_func_truncate, & dbcsr_func_cos PUBLIC :: dbcsr_2d_array_obj PUBLIC :: dbcsr_mpi_statistics_type TYPE dbcsr_mp_type !! A processor (process) grid distribution INTEGER :: mynode = -1 !! my processor/node (process) number INTEGER :: numnodes = -1 !! number of processors/nodes (processes) INTEGER :: myprow = -1 !! my process grid row INTEGER :: mypcol = -1 !! my process grid column TYPE(mp_comm_type) :: mp_group = mp_comm_null !! message-passing group ID INTEGER, DIMENSION(:, :), POINTER, CONTIGUOUS :: pgrid => Null() !! processor grid INTEGER :: refcount = 0 !! reference counter LOGICAL :: subgroups_defined = .FALSE. !! whether the subgroups are defined TYPE(mp_comm_type) :: prow_group = mp_comm_null !! per-process-row communicator TYPE(mp_comm_type) :: pcol_group = mp_comm_null !! pre-process-column communicator INTEGER :: source = -1 END TYPE dbcsr_mp_type TYPE dbcsr_mp_obj !! Wrapper for the dbcsr_mp_type TYPE(dbcsr_mp_type), POINTER :: mp => Null() !! pointer to a dbcsr_mp_type instance END TYPE dbcsr_mp_obj TYPE dbcsr_distribution_type !! Matrix distribution on the processor grid TYPE(array_i1d_obj) :: row_dist_block, col_dist_block !! standard row distributions of matrix elements' rows into processor grid rows !! standard column distributions of matrix elements' columns into processor grid columns TYPE(array_i1d_obj) :: local_rows, local_cols !! list of rows local to the processor grid row !! list of columns local to the processor grid column INTEGER :: max_row_dist, max_col_dist TYPE(array_i1d_obj), DIMENSION(:), POINTER :: other_l_rows => Null() !! local rows for each process row TYPE(array_i1d_obj), DIMENSION(:), POINTER :: other_l_cols => Null() !! local columns for each process column LOGICAL :: has_other_l_rows = .FALSE. !! other_rows is defined LOGICAL :: has_other_l_cols = .FALSE. !! other_cols is defined TYPE(array_i1d_obj) :: global_row_map !! mapping from rows to sequence in local rows (global to local mapping) TYPE(array_i1d_obj) :: global_col_map !! mapping from rows to sequence in local columns (global to local mapping) LOGICAL :: has_global_row_map = .FALSE. !! whether other_row_map is defined LOGICAL :: has_global_col_map = .FALSE. !! whether other_col_map is defined TYPE(array_i1d_obj) :: row_map !! distribution map for rows TYPE(array_i1d_obj) :: col_map !! distribution map for columns LOGICAL :: has_thread_dist = .FALSE. TYPE(array_i1d_obj) :: thread_dist !! thread distribution (of the rows) INTEGER :: num_threads = -1 !! number of threads in the environment TYPE(dbcsr_mp_obj) :: mp_env !! multiprocessor environment on which the distribution is based INTEGER :: refcount = 0 !! reference counter END TYPE dbcsr_distribution_type TYPE dbcsr_distribution_obj TYPE(dbcsr_distribution_type), POINTER :: d => Null() END TYPE dbcsr_distribution_obj TYPE dbcsr_imagedistribution_type !! Image distributions are used to map incompatible processor row and !! column distributions. !! Used to ease storage or transfer between two different-sizes !! sets. For example, if there are 4 real processor rows that are !! mapped to 8 "virtual" processor rows, then there are two images for !! every real processor row. TYPE(dbcsr_distribution_obj) :: main !! the main distribution TYPE(array_i1d_obj) :: row_image !! distribution of matrix elements' rows into image rows TYPE(array_i1d_obj) :: col_image !! distribution of matrix elements' columns into image columns INTEGER :: row_decimation = -1 !! Number of imaged rows mapped to a real row INTEGER :: col_decimation = -1 !! Number of imaged columns mapped to a real column INTEGER :: row_multiplicity = -1 !! Number of real rows mapped to a virtual row INTEGER :: col_multiplicity = -1 !! Number of real columns mapped to a virtual column TYPE(array_i1d_obj) :: vrow_dist TYPE(array_i1d_obj) :: vcol_dist TYPE(array_i1d_obj), DIMENSION(:), POINTER :: other_vl_rows => Null() TYPE(array_i1d_obj), DIMENSION(:), POINTER :: other_vl_cols => Null() TYPE(array_i1d_obj) :: global_vrow_map TYPE(array_i1d_obj) :: global_vcol_map LOGICAL :: has_other_vl_rows = .FALSE. LOGICAL :: has_other_vl_cols = .FALSE. LOGICAL :: has_global_vrow_map = .FALSE. LOGICAL :: has_global_vcol_map = .FALSE. INTEGER :: id = -1 INTEGER :: refcount = 0 !! count of references END TYPE dbcsr_imagedistribution_type TYPE dbcsr_imagedistribution_obj TYPE(dbcsr_imagedistribution_type), POINTER :: i => Null() END TYPE dbcsr_imagedistribution_obj ! Different method for dbcsr_filter INTEGER, PARAMETER :: dbcsr_filter_frobenius = 1 ! Different norm for dbcsr_norm INTEGER, PARAMETER :: dbcsr_norm_frobenius = 1 INTEGER, PARAMETER :: dbcsr_norm_maxabsnorm = 2 INTEGER, PARAMETER :: dbcsr_norm_gershgorin = 3 INTEGER, PARAMETER :: dbcsr_norm_column = 4 TYPE dbcsr_block_buffer_type !! Buffer for blocks INTEGER :: refcount = 0 !! Reference counter LOGICAL, DIMENSION(:), POINTER :: dirty => Null() !! Whether any buffers are dirty TYPE(dbcsr_data_obj), DIMENSION(:), POINTER :: buffers => Null() !! Buffers INTEGER, DIMENSION(:, :), POINTER :: rcb => Null() !! Row and column and offset and dimensions of data in the buffer TYPE(dbcsr_data_obj) :: main !! Main memory TYPE(dbcsr_data_obj), DIMENSION(:), POINTER :: backing => Null() !! Backing memory (in lieu of main memory) INTEGER :: data_type = -1 !! Data type used for the buffers END TYPE dbcsr_block_buffer_type TYPE dbcsr_block_buffer_obj !! Object for the buffer of blocks TYPE(dbcsr_block_buffer_type), POINTER :: b => Null() !! Block buffer END TYPE dbcsr_block_buffer_obj TYPE dbcsr_iterator !! An iterator over a DBCSR matrix. !! @note This is briefly changed to allow being included in the dbcsr_type type !! What is written here is what the structure should be and not what it !! is. !! @endnote TYPE(dbcsr_type), POINTER :: matrix => Null() !! the matrix TYPE(dbcsr_block_buffer_obj) :: buffer_2d !! Buffers for repointing 2d pointers (1 per thread) INTEGER :: pos = -1 !! Current position (per thread) INTEGER :: row = -1 !! Current row (per thread) INTEGER :: row_size = -1 !! Size of current row INTEGER :: row_offset = -1 INTEGER, DIMENSION(:), POINTER :: rbs => Null() !! Pointer to row size array INTEGER, DIMENSION(:), POINTER :: cbs => Null() !! Pointer to column size array INTEGER, DIMENSION(:), POINTER :: roff => Null() !! Pointer to row offset array INTEGER, DIMENSION(:), POINTER :: coff => Null() !! Pointer to column offset array LOGICAL :: local_indexing = .FALSE. !! The matrix has local indexing LOGICAL :: contiguous_pointers = .FALSE. !! Whether pointers to data should be contiguous in memory. LOGICAL :: transpose = .FALSE. LOGICAL :: read_only = .FALSE. LOGICAL :: shared = .FALSE. !! Iterators share matrix LOGICAL :: dynamic = .FALSE. !! Ignores the thread distribution (FCFS by block) LOGICAL :: dynamic_byrows = .FALSE. !! Ignores the thread distribution (FCFS by row) INTEGER, POINTER :: common_pos => Null() !! Position when in mixed mode (row or block depending in dynamic_byrows ! Copies from the matrix. INTEGER :: nblks = -1 INTEGER :: nblkrows_total = -1 INTEGER, DIMENSION(:), POINTER :: row_p => Null() INTEGER, DIMENSION(:), POINTER :: col_i => Null() INTEGER, DIMENSION(:), POINTER :: blk_p => Null() INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: tdist => Null() INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: local_rows => Null() !! Mapping of local rows to global rows (if local indexing is enabled) INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: global_rows => Null() !! Mapping of global rows to local rows (if local indexing is enabled) TYPE(dbcsr_data_obj) :: data_area END TYPE dbcsr_iterator TYPE dbcsr_mutable_type !! Data area with random access reads, insertions, and deletions. TYPE(btree_i8_sp2d) :: btree_s !! Data types for the various types TYPE(btree_i8_dp2d) :: btree_d !! Data types for the various types TYPE(btree_i8_cp2d) :: btree_c !! Data types for the various types TYPE(btree_i8_zp2d) :: btree_z !! Data types for the various types INTEGER :: refcount = 0 !! Reference counter INTEGER :: data_type = -1 !! The data type that is stored END TYPE dbcsr_mutable_type TYPE dbcsr_mutable_obj !! Object for the mutable data type TYPE(dbcsr_mutable_type), POINTER :: m => Null() END TYPE dbcsr_mutable_obj TYPE dbcsr_work_type !! Used for assembling a real matrix. TYPE(dbcsr_data_obj) :: data_area !! holds actual values. INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: row_i => Null() !! the row index of all of the blocks. INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: col_i => Null() !! the column index of all of the blocks. INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: blk_p => Null() !! the pointer into the data array of this block. INTEGER :: lastblk = -1 !! index of the last block entered into the row_i, col_i, and blk_p data structures INTEGER :: datasize = -1 !! the actual size of data present in the data element INTEGER :: datasize_after_filtering = -1 !TYPE(btree_i8_dp2d) :: tree !! tree used to index data blocks (alternative to the row_i, col_i, and blk_p indices when index is scattered). TYPE(dbcsr_mutable_obj) :: mutable !! the final bcsr matrix END TYPE dbcsr_work_type TYPE dbcsr_type !! The BCSR sparse matrix type. !! !! arrays data and index hold the bulk of the data. !! @note the pointers row_p, col_i, blk_p point into the index array. !! @endnote INTEGER :: serial_number = -1 !! a unique number of each created matrix LOGICAL :: valid = .FALSE. !! whether the matrix is valid (consistent) CHARACTER(LEN=default_string_length) :: name = "" !! name of the matrix TYPE(dbcsr_data_obj) :: data_area = dbcsr_data_obj() INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: index => Null() !! agglomeration of the indices and offsets of pointers into this array. INTEGER, DIMENSION(:), POINTER :: row_p => Null() !! points into the col_i and blk_p arrays, each element (1:nblkrows_total+1) points to the previous row's last element. So !! each rows has elements row_p(row)+1:row_p(row+1). INTEGER, DIMENSION(:), POINTER :: col_i => Null() !! the global blocked column number of this block. INTEGER, DIMENSION(:), POINTER :: blk_p => Null() !! the pointer into the data array of this block. INTEGER, DIMENSION(:), POINTER :: thr_c => Null() !! elements/thread for list index INTEGER, DIMENSION(:), POINTER :: coo_l => Null() !! coordinate list (used for direct indexing) TYPE(array_i1d_obj) :: row_blk_size = array_i1d_obj() !! sizes (rows in a block) of blocked rows TYPE(array_i1d_obj) :: col_blk_size = array_i1d_obj() !! sizes (columns in a block) of blocked columns TYPE(array_i1d_obj) :: row_blk_offset = array_i1d_obj() !! row offset (size = nrow+1) TYPE(array_i1d_obj) :: col_blk_offset = array_i1d_obj() !! col offset (size = ncol+1) TYPE(array_i1d_obj) :: local_rows = array_i1d_obj() !! Map of global to local rows when local indexing is enabled TYPE(array_i1d_obj) :: global_rows = array_i1d_obj() TYPE(array_i1d_obj) :: local_cols = array_i1d_obj() TYPE(array_i1d_obj) :: global_cols = array_i1d_obj() LOGICAL :: has_local_rows = .FALSE. LOGICAL :: has_global_rows = .FALSE. LOGICAL :: has_local_cols = .FALSE. LOGICAL :: has_global_cols = .FALSE. INTEGER :: max_rbs = -1 !! maximal row sizes INTEGER :: max_cbs = -1 !! maximal column sizes INTEGER :: sparsity_id = -1 INTEGER :: id_nr = -1 ! use in sm_pool INTEGER :: nblks = -1 !! number of blocks locally present INTEGER :: nze = -1 !! number of non-zero elements locally present INTEGER :: nblkrows_total = -1 !! size of entire matrix in blocked rows INTEGER :: nblkcols_total = -1 !! size of entire matrix in blocked columns INTEGER :: nfullrows_total = -1 !! size of entire matrix in full rows INTEGER :: nfullcols_total = -1 !! size of entire matrix in full columns INTEGER :: nblkrows_local = -1 !! size of local part of matrix in blocked rows INTEGER :: nblkcols_local = -1 !! size of local part of matrix in blocked columns INTEGER :: nfullrows_local = -1 !! size of local part of matrix in full rows INTEGER :: nfullcols_local = -1 !! size of local part of matrix in full columns INTEGER :: data_type = -1 !! 'r'/'R' for single/double precision real or 'c'/'C' for single/double precision complex data CHARACTER :: replication_type = "" !! multi-process replication used in the matrix LOGICAL :: symmetry = .FALSE. !! matrix has symmetry LOGICAL :: negate_real = .FALSE. !! symmetry is realized by negating the real part LOGICAL :: negate_imaginary = .FALSE. !! symmetry is realized by negating complex part (i.e., antisymmetric) LOGICAL :: bcsc = .FALSE. !! BCS Column instead of BCS Row LOGICAL :: local_indexing = .FALSE. !! Local indexing of rows instead of global indexing. LOGICAL :: list_indexing = .FALSE. TYPE(dbcsr_memtype_type) :: data_memory_type = dbcsr_memtype_type() !! memory type for data TYPE(dbcsr_memtype_type) :: index_memory_type = dbcsr_memtype_type() !! memory type for the index TYPE(dbcsr_block_buffer_obj) :: buffers = dbcsr_block_buffer_obj() !! Block buffers TYPE(dbcsr_work_type), DIMENSION(:), POINTER :: wms => Null() TYPE(dbcsr_distribution_obj) :: dist = dbcsr_distribution_obj() !! distribution used by this matrix INTEGER :: refcount = 0 !! reference count LOGICAL :: work_mutable = .FALSE. !! uses the mutable data for working and not the append-only data END TYPE dbcsr_type CHARACTER, PARAMETER :: dbcsr_type_invalid = '0' CHARACTER, PARAMETER :: dbcsr_type_no_symmetry = 'N' CHARACTER, PARAMETER :: dbcsr_type_symmetric = 'S' CHARACTER, PARAMETER :: dbcsr_type_antisymmetric = 'A' CHARACTER, PARAMETER :: dbcsr_type_hermitian = 'H' CHARACTER, PARAMETER :: dbcsr_type_antihermitian = 'K' ! ! multiply transpositions CHARACTER, PARAMETER :: dbcsr_no_transpose = 'N' CHARACTER, PARAMETER :: dbcsr_transpose = 'T' CHARACTER, PARAMETER :: dbcsr_conjugate_transpose = 'C' CHARACTER, PARAMETER :: dbcsr_repl_none = 'N' CHARACTER, PARAMETER :: dbcsr_repl_row = 'R' CHARACTER, PARAMETER :: dbcsr_repl_col = 'C' CHARACTER, PARAMETER :: dbcsr_repl_full = 'A' ! ! Function types INTEGER, PARAMETER :: dbcsr_func_inverse = 0 INTEGER, PARAMETER :: dbcsr_func_tanh = 1 INTEGER, PARAMETER :: dbcsr_func_dtanh = 2 INTEGER, PARAMETER :: dbcsr_func_ddtanh = 3 INTEGER, PARAMETER :: dbcsr_func_artanh = 4 INTEGER, PARAMETER :: dbcsr_func_inverse_special = 5 INTEGER, PARAMETER :: dbcsr_func_spread_from_zero = 6 INTEGER, PARAMETER :: dbcsr_func_sin = 7 INTEGER, PARAMETER :: dbcsr_func_dsin = 8 INTEGER, PARAMETER :: dbcsr_func_ddsin = 9 INTEGER, PARAMETER :: dbcsr_func_asin = 10 INTEGER, PARAMETER :: dbcsr_func_cos = 11 INTEGER, PARAMETER :: dbcsr_func_truncate = 12 ! These specify which array index in the index array is the start of the ! specified variable. For example, row_p => index(dbcsr_bcsr_slot_row_p) INTEGER, PARAMETER :: dbcsr_slot_size = 1 !! Size of the assigned values in the index array. INTEGER, PARAMETER :: dbcsr_slot_nblks = 2 INTEGER, PARAMETER :: dbcsr_slot_nze = 3 INTEGER, PARAMETER :: dbcsr_slot_dense = 4 INTEGER, PARAMETER :: dbcsr_slot_nblkrows_total = 5 INTEGER, PARAMETER :: dbcsr_slot_nblkcols_total = 6 INTEGER, PARAMETER :: dbcsr_slot_nfullrows_total = 7 INTEGER, PARAMETER :: dbcsr_slot_nfullcols_total = 8 INTEGER, PARAMETER :: dbcsr_slot_nblkrows_local = 9 INTEGER, PARAMETER :: dbcsr_slot_nblkcols_local = 10 INTEGER, PARAMETER :: dbcsr_slot_nfullrows_local = 11 INTEGER, PARAMETER :: dbcsr_slot_nfullcols_local = 12 INTEGER, PARAMETER :: dbcsr_slot_type = 13 INTEGER, PARAMETER :: dbcsr_slot_home_prow = 14 INTEGER, PARAMETER :: dbcsr_slot_home_pcol = 15 INTEGER, PARAMETER :: dbcsr_slot_home_rowi = 16 INTEGER, PARAMETER :: dbcsr_slot_home_coli = 17 INTEGER, PARAMETER :: dbcsr_slot_home_vprow = 18 INTEGER, PARAMETER :: dbcsr_slot_home_vpcol = 19 INTEGER, PARAMETER :: dbcsr_meta_size = 19 !! The number of meta fields. Its value should be the index of the last slot listed above. INTEGER, PARAMETER :: dbcsr_slot_row_p = dbcsr_meta_size + 2 INTEGER, PARAMETER :: dbcsr_slot_col_i = dbcsr_meta_size + 4 INTEGER, PARAMETER :: dbcsr_slot_blk_p = dbcsr_meta_size + 6 INTEGER, PARAMETER :: dbcsr_slot_thr_c = dbcsr_meta_size + 8 INTEGER, PARAMETER :: dbcsr_slot_coo_l = dbcsr_meta_size + 10 INTEGER, PARAMETER :: dbcsr_num_slots = dbcsr_meta_size + 11 ! previous + 1 INTEGER(KIND=int_8), DIMENSION(6), PARAMETER :: dbcsr_mpi_size_limits = & (/2**7, 2**13, 2**15, 2**17, 2**22, 2**24/) !! MPI message size limits (in bytes): 128, 8192, 32KB, 128KB, 4MB, 16MB TYPE dbcsr_work_type_p !! Pointer to a work matrix. TYPE(dbcsr_work_type), POINTER :: w => Null() !! the work matrix END TYPE dbcsr_work_type_p TYPE dbcsr_type_p !! Pointer to a object. TYPE(dbcsr_type), POINTER :: matrix => Null() !! the dbcsr_typeect END TYPE dbcsr_type_p TYPE dbcsr_1d_array_obj !! A 1-D array of DBCSR matrices TYPE(dbcsr_type_p), DIMENSION(:), POINTER :: mats => Null() !! the array of matrices END TYPE dbcsr_1d_array_obj TYPE dbcsr_2d_array_obj !! A 2-D array of DBCSR matrices TYPE(dbcsr_type_p), DIMENSION(:, :), POINTER :: mats => Null() !! the array of matrices END TYPE dbcsr_2d_array_obj TYPE dbcsr_1d_array_type !! An array of DBCSR matrices TYPE(dbcsr_type), DIMENSION(:), POINTER :: mats => Null() !! the matrices TYPE(dbcsr_imagedistribution_obj) :: image_dist !! image distribution END TYPE dbcsr_1d_array_type TYPE dbcsr_2d_array_type !! A 2-d array of DBCSR matrices TYPE(dbcsr_type), DIMENSION(:, :), POINTER :: mats => Null() !! the matrices TYPE(dbcsr_imagedistribution_obj) :: image_dist !! image distribution END TYPE dbcsr_2d_array_type TYPE dbcsr_mpi_statistics_type !! DBCSR MPI statistics INTEGER :: last_mpi_ranks_used = -1 INTEGER :: nimages = -1 INTEGER :: nexchanged = -1 INTEGER :: nfiltered = -1 ! rank 1: 1=right, 2=left ! rank 2: 1=total, 2=min, 3=max REAL, DIMENSION(2, 3) :: data_size = 0.0 ! message size breakdown INTEGER(KIND=int_8), DIMENSION(SIZE(dbcsr_mpi_size_limits) + 1, 2, 2) :: data_size_breakdown = -1 END TYPE dbcsr_mpi_statistics_type END MODULE dbcsr_types