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 2 : PROGRAM parallel_rng_types_TEST
9 2 : USE message_passing, ONLY: mp_world_finalize, &
10 : mp_world_init, &
11 : mp_comm_type
12 : USE kinds, ONLY: dp
13 : USE machine, ONLY: m_walltime, &
14 : default_output_unit
15 : USE parallel_rng_types, ONLY: GAUSSIAN, &
16 : UNIFORM, &
17 : check_rng, &
18 : rng_stream_type, &
19 : rng_stream_type_from_record, &
20 : rng_name_length, &
21 : rng_record_length
22 :
23 : IMPLICIT NONE
24 :
25 : INTEGER :: i, nsamples, nargs, stat
26 : LOGICAL :: ionode
27 : REAL(KIND=dp) :: t, tend, tmax, tmin, tstart, tsum, tsum2
28 : TYPE(mp_comm_type) :: mpi_comm
29 : TYPE(rng_stream_type) :: rng_stream
30 : CHARACTER(len=32) :: arg
31 :
32 2 : nsamples = 1000
33 2 : nargs = command_argument_count()
34 :
35 2 : IF (nargs > 1) &
36 0 : ERROR STOP "Usage: parallel_rng_types_TEST [<int:nsamples>]"
37 :
38 2 : IF (nargs == 1) THEN
39 2 : CALL get_command_argument(1, arg)
40 2 : READ (arg, *, iostat=stat) nsamples
41 2 : IF (stat /= 0) &
42 0 : ERROR STOP "Usage: parallel_rng_types_TEST [<int:nsamples>]"
43 : END IF
44 :
45 2 : CALL mp_world_init(mpi_comm)
46 2 : ionode = mpi_comm%is_source()
47 :
48 2 : CALL check_rng(default_output_unit, ionode)
49 :
50 : ! Check performance
51 :
52 2 : IF (ionode) THEN
53 : WRITE (UNIT=default_output_unit, FMT="(/,/,T2,A,I10,A)") &
54 1 : "Check distributions using", nsamples, " random numbers:"
55 : END IF
56 :
57 : ! Test uniform distribution [0,1]
58 :
59 : rng_stream = rng_stream_type(name="Test uniform distribution [0,1]", &
60 : distribution_type=UNIFORM, &
61 2 : extended_precision=.TRUE.)
62 :
63 2 : IF (ionode) &
64 1 : CALL rng_stream%write(default_output_unit)
65 :
66 2 : tmax = -HUGE(0.0_dp)
67 2 : tmin = +HUGE(0.0_dp)
68 2 : tsum = 0.0_dp
69 2 : tsum2 = 0.0_dp
70 :
71 2 : tstart = m_walltime()
72 2002 : DO i = 1, nsamples
73 2000 : t = rng_stream%next()
74 2000 : tsum = tsum + t
75 2000 : tsum2 = tsum2 + t*t
76 2000 : IF (t > tmax) tmax = t
77 2002 : IF (t < tmin) tmin = t
78 : END DO
79 2 : tend = m_walltime()
80 :
81 2 : IF (ionode) THEN
82 1 : CALL rng_stream%write(default_output_unit, write_all=.TRUE.)
83 : WRITE (UNIT=default_output_unit, FMT="(/,(T4,A,F12.6))") &
84 1 : "Minimum: ", tmin, &
85 1 : "Maximum: ", tmax, &
86 1 : "Average: ", tsum/REAL(nsamples, KIND=dp), &
87 1 : "Variance:", tsum2/REAL(nsamples, KIND=dp), &
88 2 : "Time [s]:", tend - tstart
89 : END IF
90 :
91 : ! Test normal Gaussian distribution
92 :
93 : rng_stream = rng_stream_type(name="Test normal Gaussian distribution", &
94 : distribution_type=GAUSSIAN, &
95 2 : extended_precision=.TRUE.)
96 :
97 2 : IF (ionode) &
98 1 : CALL rng_stream%write(default_output_unit)
99 :
100 2 : tmax = -HUGE(0.0_dp)
101 2 : tmin = +HUGE(0.0_dp)
102 2 : tsum = 0.0_dp
103 2 : tsum2 = 0.0_dp
104 :
105 2 : tstart = m_walltime()
106 2002 : DO i = 1, nsamples
107 2000 : t = rng_stream%next()
108 2000 : tsum = tsum + t
109 2000 : tsum2 = tsum2 + t*t
110 2000 : IF (t > tmax) tmax = t
111 2002 : IF (t < tmin) tmin = t
112 : END DO
113 2 : tend = m_walltime()
114 :
115 2 : IF (ionode) THEN
116 1 : CALL rng_stream%write(default_output_unit)
117 : WRITE (UNIT=default_output_unit, FMT="(/,(T4,A,F12.6))") &
118 1 : "Minimum: ", tmin, &
119 1 : "Maximum: ", tmax, &
120 1 : "Average: ", tsum/REAL(nsamples, KIND=dp), &
121 1 : "Variance:", tsum2/REAL(nsamples, KIND=dp), &
122 2 : "Time [s]:", tend - tstart
123 : END IF
124 :
125 2 : IF (ionode) THEN
126 1 : CALL dump_reload_check()
127 1 : CALL shuffle_check()
128 : END IF
129 :
130 2 : CALL mp_world_finalize()
131 :
132 : CONTAINS
133 : ! **************************************************************************************************
134 : !> \brief ...
135 : ! **************************************************************************************************
136 1 : SUBROUTINE dump_reload_check()
137 : TYPE(rng_stream_type) :: rng_stream
138 : CHARACTER(len=rng_record_length) :: rng_record
139 : REAL(KIND=dp), DIMENSION(3, 2) :: ig, ig_orig, cg, cg_orig, bg, bg_orig
140 : CHARACTER(len=rng_name_length) :: name, name_orig
141 : CHARACTER(len=*), PARAMETER :: serialized_string = &
142 : "qtb_rng_gaussian 1 F T F 0.0000000000000000E+00&
143 : & 12.0 12.0 12.0&
144 : & 12.0 12.0 12.0&
145 : & 12.0 12.0 12.0&
146 : & 12.0 12.0 12.0&
147 : & 12.0 12.0 12.0&
148 : & 12.0 12.0 12.0"
149 :
150 : WRITE (UNIT=default_output_unit, FMT="(/,/,T2,A)") &
151 1 : "Checking dump and load round trip:"
152 :
153 : rng_stream = rng_stream_type(name="Roundtrip for normal Gaussian distrib", &
154 : distribution_type=GAUSSIAN, &
155 1 : extended_precision=.TRUE.)
156 :
157 1 : CALL rng_stream%advance(7, 42)
158 1 : CALL rng_stream%get(ig=ig_orig, cg=cg_orig, bg=bg_orig, name=name_orig)
159 1 : CALL rng_stream%dump(rng_record)
160 :
161 1 : rng_stream = rng_stream_type_from_record(rng_record)
162 1 : CALL rng_stream%get(ig=ig, cg=cg, bg=bg, name=name)
163 :
164 : IF (ANY(ig /= ig_orig) .OR. ANY(cg /= cg_orig) .OR. ANY(bg /= bg_orig) &
165 27 : .OR. (name /= name_orig)) &
166 0 : ERROR STOP "Stream dump and load roundtrip failed"
167 :
168 : WRITE (UNIT=default_output_unit, FMT="(T4,A)") &
169 1 : "Roundtrip successful"
170 :
171 : WRITE (UNIT=default_output_unit, FMT="(/,/,T2,A)") &
172 1 : "Checking dumped format:"
173 :
174 9 : ig(:, :) = 12.0_dp
175 : rng_stream = rng_stream_type(name="qtb_rng_gaussian", &
176 : distribution_type=GAUSSIAN, &
177 : extended_precision=.TRUE., &
178 1 : seed=ig)
179 :
180 1 : CALL rng_stream%dump(rng_record)
181 :
182 : WRITE (UNIT=default_output_unit, FMT="(T4,A10,A433)") &
183 1 : "EXPECTED:", serialized_string
184 :
185 : WRITE (UNIT=default_output_unit, FMT="(T4,A10,A433)") &
186 1 : "GENERATED:", rng_record
187 :
188 1 : IF (rng_record /= serialized_string) &
189 0 : ERROR STOP "Serialized record does not match the expected output"
190 :
191 : WRITE (UNIT=default_output_unit, FMT="(T4,A)") &
192 1 : "Serialized record matches the expected output"
193 :
194 25 : END SUBROUTINE dump_reload_check
195 :
196 : ! **************************************************************************************************
197 : !> \brief ...
198 : ! **************************************************************************************************
199 1 : SUBROUTINE shuffle_check()
200 : TYPE(rng_stream_type) :: rng_stream
201 :
202 : INTEGER, PARAMETER :: sz = 20
203 : INTEGER, DIMENSION(1:sz) :: arr, arr2, orig
204 : LOGICAL, DIMENSION(1:sz) :: mask
205 : INTEGER :: idx
206 : REAL(KIND=dp), DIMENSION(3, 2), PARAMETER :: ig = 12.0_dp
207 :
208 : WRITE (UNIT=default_output_unit, FMT="(/,/,T2,A)", ADVANCE="no") &
209 1 : "Checking shuffle()"
210 :
211 1 : rng_stream = rng_stream_type(name="shuffle() check", seed=ig)
212 1 : orig = [(idx, idx=1, sz)]
213 :
214 1 : arr = orig
215 1 : CALL rng_stream%shuffle(arr)
216 :
217 1 : IF (ALL(arr == orig)) &
218 0 : ERROR STOP "shuffle failed: array was left untouched"
219 1 : WRITE (UNIT=default_output_unit, FMT="(A)", ADVANCE="no") "."
220 :
221 21 : IF (ANY(arr /= orig(arr))) &
222 0 : ERROR STOP "shuffle failed: the shuffled original is not the shuffled original"
223 1 : WRITE (UNIT=default_output_unit, FMT="(A)", ADVANCE="no") "."
224 :
225 : ! sort and compare to orig
226 21 : mask = .TRUE.
227 21 : DO idx = 1, size(orig)
228 420 : IF (MINVAL(arr, mask) /= orig(idx)) &
229 0 : ERROR STOP "shuffle failed: there is at least one unknown index"
230 481 : mask(MINLOC(arr, mask)) = .FALSE.
231 : END DO
232 1 : WRITE (UNIT=default_output_unit, FMT="(A)", ADVANCE="no") "."
233 :
234 1 : arr2 = orig
235 1 : CALL rng_stream%reset()
236 1 : CALL rng_stream%shuffle(arr2)
237 :
238 21 : IF (ANY(arr2 /= arr)) &
239 0 : ERROR STOP "shuffle failed: array was shuffled differently with same rng state"
240 1 : WRITE (UNIT=default_output_unit, FMT="(A)", ADVANCE="no") "."
241 :
242 : WRITE (UNIT=default_output_unit, FMT="(T4,A)") &
243 1 : " successful"
244 27 : END SUBROUTINE shuffle_check
245 : END PROGRAM parallel_rng_types_TEST
246 : ! vim: set ts=3 sw=3 tw=132 :
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