Line data Source code
1 : !--------------------------------------------------------------------------------------------------!
2 : ! CP2K: A general program to perform molecular dynamics simulations !
3 : ! Copyright 2000-2025 CP2K developers group <https://cp2k.org> !
4 : ! !
5 : ! SPDX-License-Identifier: GPL-2.0-or-later !
6 : !--------------------------------------------------------------------------------------------------!
7 :
8 : ! **************************************************************************************************
9 : !> \brief DBT tall-and-skinny base types.
10 : !> Mostly wrappers around existing DBM routines.
11 : !> \author Patrick Seewald
12 : ! **************************************************************************************************
13 : MODULE dbt_tas_types
14 : USE dbm_api, ONLY: dbm_distribution_obj,&
15 : dbm_iterator,&
16 : dbm_type
17 : USE dbt_tas_global, ONLY: dbt_tas_distribution,&
18 : dbt_tas_rowcol_data
19 : USE kinds, ONLY: dp,&
20 : int_8
21 : USE message_passing, ONLY: mp_cart_type
22 : #include "../../base/base_uses.f90"
23 :
24 : IMPLICIT NONE
25 : PRIVATE
26 :
27 : CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'dbt_tas_types'
28 :
29 : PUBLIC :: &
30 : dbt_tas_distribution_type, &
31 : dbt_tas_iterator, &
32 : dbt_tas_split_info, &
33 : dbt_tas_type, &
34 : dbt_tas_mm_storage
35 :
36 : ! **************************************************************************************************
37 : !> \brief info on MPI Cartesian grid that is split on MPI subgroups.
38 : !> info on distribution of matrix rows / columns to different subgroups.
39 : !> \var mp_comm global communicator
40 : !> \var pdims dimensions of process grid
41 : !> \var igroup which subgroup do I belong to
42 : !> \var ngroup how many groups in total
43 : !> \var split_rowcol split row or column?
44 : !> \var pgrid_split_size how many process rows/cols in subgroups
45 : !> \var group_size group size (how many cores) of subgroups
46 : !> \var mp_comm_group sub communicator
47 : !> \var ngroup_opt optimal number of groups (split factor)
48 : !> \var strict_split if .true., split factor should not be modified
49 : !> (2 parameters for current and general settings)
50 : !> \var refcount lightweight reference counting for communicators
51 : ! **************************************************************************************************
52 : TYPE dbt_tas_split_info
53 : TYPE(mp_cart_type) :: mp_comm
54 : INTEGER, DIMENSION(2) :: pdims = [-1, -1]
55 : INTEGER :: igroup = -1
56 : INTEGER :: ngroup = -1
57 : INTEGER :: split_rowcol = -1
58 : INTEGER :: pgrid_split_size = -1
59 : INTEGER :: group_size = -1
60 : TYPE(mp_cart_type) :: mp_comm_group
61 : INTEGER, ALLOCATABLE :: ngroup_opt
62 : LOGICAL, DIMENSION(2) :: strict_split = [.FALSE., .FALSE.]
63 : INTEGER, POINTER :: refcount => NULL()
64 : END TYPE dbt_tas_split_info
65 :
66 : TYPE dbt_tas_distribution_type
67 : TYPE(dbt_tas_split_info) :: info
68 : TYPE(dbm_distribution_obj) :: dbm_dist
69 : CLASS(dbt_tas_distribution), ALLOCATABLE :: row_dist
70 : CLASS(dbt_tas_distribution), ALLOCATABLE :: col_dist
71 : INTEGER(KIND=int_8), ALLOCATABLE, DIMENSION(:) :: local_rowcols
72 : END TYPE dbt_tas_distribution_type
73 :
74 : ! **************************************************************************************************
75 : !> \brief storage for batched matrix multiplication
76 : !> \var store_batched intermediate replicated matrix
77 : !> \var store_batched_repl intermediate replicated matrix
78 : !> \var batched_out whether replicated matrix has been changed in mm...
79 : !> and should be copied to actual matrix
80 : ! **************************************************************************************************
81 : TYPE dbt_tas_mm_storage
82 : TYPE(dbt_tas_type), POINTER :: store_batched => NULL()
83 : TYPE(dbt_tas_type), POINTER :: store_batched_repl => NULL()
84 : LOGICAL :: batched_out = .FALSE.
85 : LOGICAL :: batched_trans = .FALSE.
86 : REAL(dp) :: batched_beta = 1.0_dp
87 : END TYPE dbt_tas_mm_storage
88 :
89 : ! **************************************************************************************************
90 : !> \brief type for tall-and-skinny matrices
91 : !> \var matrix matrix on subgroup
92 : !> \var nblkrows total number of rows
93 : !> \var nblkcols total number of columns
94 : !> \var nblkrowscols_split nblkrows or nblkcols depending on which is splitted
95 : !> \var nfullrows total number of full (not blocked) rows
96 : !> \var nfullcols total number of full (not blocked) columns
97 : !> \var valid has been created?
98 : !> \var do_batched state flag for batched multiplication
99 : !> \var mm_storage storage for batched processing of matrix matrix multiplication.
100 : !> \var has_opt_pgrid whether pgrid was automatically optimized
101 : ! **************************************************************************************************
102 : TYPE dbt_tas_type
103 : TYPE(dbt_tas_distribution_type) :: dist
104 : CLASS(dbt_tas_rowcol_data), ALLOCATABLE :: row_blk_size
105 : CLASS(dbt_tas_rowcol_data), ALLOCATABLE :: col_blk_size
106 : TYPE(dbm_type) :: matrix
107 : INTEGER(KIND=int_8) :: nblkrows = -1
108 : INTEGER(KIND=int_8) :: nblkcols = -1
109 : INTEGER(KIND=int_8) :: nblkrowscols_split = -1
110 : INTEGER(KIND=int_8) :: nfullrows = -1
111 : INTEGER(KIND=int_8) :: nfullcols = -1
112 : LOGICAL :: valid = .FALSE.
113 : INTEGER :: do_batched = 0
114 : TYPE(dbt_tas_mm_storage), ALLOCATABLE :: mm_storage
115 : LOGICAL :: has_opt_pgrid = .FALSE.
116 : END TYPE dbt_tas_type
117 :
118 : TYPE dbt_tas_iterator
119 : TYPE(dbt_tas_distribution_type), POINTER :: dist => NULL()
120 : TYPE(dbm_iterator) :: iter
121 : END TYPE dbt_tas_iterator
122 :
123 0 : END MODULE dbt_tas_types
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