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 stores a lists of integer that are local to a processor.
10 : !> The idea is that these integers represent objects that are distributed
11 : !> between the different processors.
12 : !> The ordering is just to make some operation more efficient, logically
13 : !> these lists are like sets.
14 : !> Some operations assume that the integers represent a range of values
15 : !> from 1 to a (not too big) maxval, and that an element is present just
16 : !> once, and only on a processor (these assumption are marked in the
17 : !> documentation of such operations).
18 : !> The concrete task for which this structure was developed was
19 : !> distributing atoms between the processors.
20 : !> \par History
21 : !> 05.2002 created [fawzi]
22 : !> \author Fawzi Mohamed
23 : ! **************************************************************************************************
24 : MODULE distribution_1d_types
25 :
26 : USE cp_array_utils, ONLY: cp_1d_i_p_type
27 : USE message_passing, ONLY: mp_para_env_release,&
28 : mp_para_env_type
29 : USE parallel_rng_types, ONLY: rng_stream_p_type
30 : #include "../base/base_uses.f90"
31 :
32 : IMPLICIT NONE
33 :
34 : PRIVATE
35 :
36 : LOGICAL, PRIVATE, PARAMETER :: debug_this_module = .TRUE.
37 : CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'distribution_1d_types'
38 :
39 : PUBLIC :: distribution_1d_type
40 : PUBLIC :: distribution_1d_create, distribution_1d_retain, distribution_1d_release
41 :
42 : ! **************************************************************************************************
43 : TYPE local_particle_type
44 : TYPE(rng_stream_p_type), DIMENSION(:), POINTER :: rng => NULL()
45 : END TYPE local_particle_type
46 : !***
47 :
48 : ! **************************************************************************************************
49 : !> \brief structure to store local (to a processor) ordered lists of integers.
50 : !> \param ref_count reference count (see doc/ReferenceCounting.html)
51 : !> \param n_el n_el(i) is number of elements of list(i)
52 : !> \param list list(i) contains an ordered list of integer (the array
53 : !> might be bigger than n_el(i), but the extra elements should be
54 : !> ignored)
55 : !> \param para_env the parallel environment underlying the distribution
56 : !> \param listbased_distribution true if each list has its own
57 : !> distribution
58 : !> \par History
59 : !> 06.2002 created [fawzi]
60 : !> \author Fawzi Mohamed
61 : ! **************************************************************************************************
62 : TYPE distribution_1d_type
63 : INTEGER :: ref_count = -1
64 : LOGICAL :: listbased_distribution = .FALSE.
65 : INTEGER, DIMENSION(:), POINTER :: n_el => NULL()
66 : TYPE(cp_1d_i_p_type), DIMENSION(:), POINTER :: list => NULL()
67 : TYPE(mp_para_env_type), POINTER :: para_env => NULL()
68 : TYPE(local_particle_type), DIMENSION(:), POINTER :: local_particle_set => NULL()
69 : END TYPE distribution_1d_type
70 :
71 : CONTAINS
72 :
73 : ! **************************************************************************************************
74 : !> \brief creates a local list
75 : !> \param distribution_1d the lists to create
76 : !> \param para_env parallel environment to be used
77 : !> \param listbased_distribution if each list has its own distribution
78 : !> (defaults to false)
79 : !> \param n_el number of elements in each list (defaults to 0)
80 : !> \param n_lists number of lists to create (defaults to 1, or size(n_el))
81 : !> \par History
82 : !> 05.2002 created [fawzi]
83 : !> \author Fawzi Mohamed
84 : ! **************************************************************************************************
85 22262 : SUBROUTINE distribution_1d_create(distribution_1d, para_env, listbased_distribution, &
86 22262 : n_el, n_lists)
87 : TYPE(distribution_1d_type), POINTER :: distribution_1d
88 : TYPE(mp_para_env_type), POINTER :: para_env
89 : LOGICAL, INTENT(in), OPTIONAL :: listbased_distribution
90 : INTEGER, DIMENSION(:), INTENT(in), OPTIONAL :: n_el
91 : INTEGER, INTENT(in), OPTIONAL :: n_lists
92 :
93 : INTEGER :: ilist, my_n_lists
94 :
95 22262 : my_n_lists = 1
96 22262 : IF (PRESENT(n_el)) my_n_lists = SIZE(n_el)
97 22262 : IF (PRESENT(n_lists)) my_n_lists = n_lists
98 :
99 22262 : ALLOCATE (distribution_1d)
100 :
101 22262 : distribution_1d%ref_count = 1
102 :
103 22262 : distribution_1d%para_env => para_env
104 22262 : CALL para_env%retain()
105 :
106 22262 : distribution_1d%listbased_distribution = .FALSE.
107 22262 : IF (PRESENT(listbased_distribution)) &
108 0 : distribution_1d%listbased_distribution = listbased_distribution
109 :
110 278151 : ALLOCATE (distribution_1d%n_el(my_n_lists), distribution_1d%list(my_n_lists))
111 :
112 22262 : IF (PRESENT(n_el)) THEN
113 189103 : distribution_1d%n_el(1:my_n_lists) = n_el(1:my_n_lists)
114 189103 : DO ilist = 1, my_n_lists
115 428527 : ALLOCATE (distribution_1d%list(ilist)%array(n_el(ilist)))
116 772997 : distribution_1d%list(ilist)%array = -1
117 : END DO
118 : ELSE
119 0 : distribution_1d%n_el(1:my_n_lists) = 0
120 0 : DO ilist = 1, my_n_lists
121 0 : NULLIFY (distribution_1d%list(ilist)%array)
122 : END DO
123 : END IF
124 :
125 22262 : END SUBROUTINE distribution_1d_create
126 :
127 : ! **************************************************************************************************
128 : !> \brief retains a distribution_1d
129 : !> \param distribution_1d the object to retain
130 : !> \par History
131 : !> 05.2002 created [fawzi]
132 : !> \author Fawzi Mohamed
133 : ! **************************************************************************************************
134 20912 : SUBROUTINE distribution_1d_retain(distribution_1d)
135 : TYPE(distribution_1d_type), INTENT(INOUT) :: distribution_1d
136 :
137 20912 : CPASSERT(distribution_1d%ref_count > 0)
138 20912 : distribution_1d%ref_count = distribution_1d%ref_count + 1
139 20912 : END SUBROUTINE distribution_1d_retain
140 :
141 : ! **************************************************************************************************
142 : !> \brief releases the given distribution_1d
143 : !> \param distribution_1d the object to release
144 : !> \par History
145 : !> 05.2002 created [fawzi]
146 : !> \author Fawzi Mohamed
147 : ! **************************************************************************************************
148 63628 : SUBROUTINE distribution_1d_release(distribution_1d)
149 : TYPE(distribution_1d_type), POINTER :: distribution_1d
150 :
151 : INTEGER :: ilist, iparticle_kind, iparticle_local, &
152 : nparticle_kind, nparticle_local
153 63628 : TYPE(local_particle_type), DIMENSION(:), POINTER :: local_particle_set
154 :
155 63628 : IF (ASSOCIATED(distribution_1d)) THEN
156 43174 : CPASSERT(distribution_1d%ref_count > 0)
157 43174 : distribution_1d%ref_count = distribution_1d%ref_count - 1
158 43174 : IF (distribution_1d%ref_count == 0) THEN
159 22262 : DEALLOCATE (distribution_1d%n_el)
160 :
161 189103 : DO ilist = 1, SIZE(distribution_1d%list)
162 189103 : DEALLOCATE (distribution_1d%list(ilist)%array)
163 : END DO
164 22262 : DEALLOCATE (distribution_1d%list)
165 :
166 : !MK Delete Wiener process
167 :
168 22262 : local_particle_set => distribution_1d%local_particle_set
169 :
170 22262 : IF (ASSOCIATED(local_particle_set)) THEN
171 48 : nparticle_kind = SIZE(local_particle_set)
172 812 : DO iparticle_kind = 1, nparticle_kind
173 812 : IF (ASSOCIATED(local_particle_set(iparticle_kind)%rng)) THEN
174 764 : nparticle_local = SIZE(local_particle_set(iparticle_kind)%rng)
175 21788 : DO iparticle_local = 1, nparticle_local
176 21024 : IF (ASSOCIATED(local_particle_set(iparticle_kind)% &
177 764 : rng(iparticle_local)%stream)) THEN
178 : DEALLOCATE (local_particle_set(iparticle_kind)% &
179 21024 : rng(iparticle_local)%stream)
180 : END IF
181 : END DO
182 764 : DEALLOCATE (local_particle_set(iparticle_kind)%rng)
183 : END IF
184 : END DO
185 48 : DEALLOCATE (local_particle_set)
186 : END IF
187 :
188 22262 : CALL mp_para_env_release(distribution_1d%para_env)
189 :
190 22262 : DEALLOCATE (distribution_1d)
191 : END IF
192 : END IF
193 :
194 63628 : END SUBROUTINE distribution_1d_release
195 :
196 0 : END MODULE distribution_1d_types
|
