1 |
/* |
2 |
* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
3 |
* |
4 |
* The University of Notre Dame grants you ("Licensee") a |
5 |
* non-exclusive, royalty free, license to use, modify and |
6 |
* redistribute this software in source and binary code form, provided |
7 |
* that the following conditions are met: |
8 |
* |
9 |
* 1. Acknowledgement of the program authors must be made in any |
10 |
* publication of scientific results based in part on use of the |
11 |
* program. An acceptable form of acknowledgement is citation of |
12 |
* the article in which the program was described (Matthew |
13 |
* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
14 |
* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
15 |
* Parallel Simulation Engine for Molecular Dynamics," |
16 |
* J. Comput. Chem. 26, pp. 252-271 (2005)) |
17 |
* |
18 |
* 2. Redistributions of source code must retain the above copyright |
19 |
* notice, this list of conditions and the following disclaimer. |
20 |
* |
21 |
* 3. Redistributions in binary form must reproduce the above copyright |
22 |
* notice, this list of conditions and the following disclaimer in the |
23 |
* documentation and/or other materials provided with the |
24 |
* distribution. |
25 |
* |
26 |
* This software is provided "AS IS," without a warranty of any |
27 |
* kind. All express or implied conditions, representations and |
28 |
* warranties, including any implied warranty of merchantability, |
29 |
* fitness for a particular purpose or non-infringement, are hereby |
30 |
* excluded. The University of Notre Dame and its licensors shall not |
31 |
* be liable for any damages suffered by licensee as a result of |
32 |
* using, modifying or distributing the software or its |
33 |
* derivatives. In no event will the University of Notre Dame or its |
34 |
* licensors be liable for any lost revenue, profit or data, or for |
35 |
* direct, indirect, special, consequential, incidental or punitive |
36 |
* damages, however caused and regardless of the theory of liability, |
37 |
* arising out of the use of or inability to use software, even if the |
38 |
* University of Notre Dame has been advised of the possibility of |
39 |
* such damages. |
40 |
*/ |
41 |
|
42 |
#ifndef MATH_OOPSERANDNUMGEN_HPP |
43 |
#define MATH_OOPSERANDNUMGEN_HPP |
44 |
|
45 |
#include <vector> |
46 |
#include "MersenneTwister.hpp" |
47 |
#include "utils/simError.h" |
48 |
|
49 |
namespace oopse { |
50 |
|
51 |
class OOPSERandNumGen{ |
52 |
public: |
53 |
typedef unsigned long uint32; |
54 |
|
55 |
OOPSERandNumGen( const uint32& oneSeed); |
56 |
OOPSERandNumGen(); |
57 |
|
58 |
~OOPSERandNumGen() { |
59 |
delete mtRand_; |
60 |
} |
61 |
|
62 |
/** Returns a real number in [0,1] */ |
63 |
double rand() { |
64 |
return mtRand_->rand(); |
65 |
} |
66 |
|
67 |
/** Returns a real number in [0, n] */ |
68 |
double rand( const double& n ) { |
69 |
return mtRand_->rand(n); |
70 |
} |
71 |
|
72 |
/** Returns a real number in [0, 1) */ |
73 |
double randExc() { |
74 |
return mtRand_->randExc(); |
75 |
} |
76 |
|
77 |
/** Returns a real number in [0, n) */ |
78 |
double randExc( const double& n ) { |
79 |
return mtRand_->randExc(n); |
80 |
} |
81 |
|
82 |
/** Returns a real number in (0, 1) */ |
83 |
double randDblExc() { |
84 |
return mtRand_->randDblExc(); |
85 |
} |
86 |
|
87 |
/** Returns a real number in (0, n) */ |
88 |
double randDblExc( const double& n ) { |
89 |
return mtRand_->randDblExc(n); |
90 |
} |
91 |
|
92 |
/** Returns aninteger in [0,2^32-1] */ |
93 |
uint32 randInt() { |
94 |
return mtRand_->randInt(); |
95 |
} |
96 |
|
97 |
/** Returns aninteger in [0, n] for n < 2^32 */ |
98 |
uint32 randInt( const uint32& n ) { |
99 |
return mtRand_->randInt(n); |
100 |
} |
101 |
|
102 |
/** Returns a 53-bitreal number in [0,1) (capacity of IEEE double precision) */ |
103 |
double rand53() { |
104 |
return mtRand_->rand53(); |
105 |
} |
106 |
|
107 |
/** Access to nonuniform random number distributions */ |
108 |
double randNorm( const double& mean, const double& variance) { |
109 |
return mtRand_->randNorm(mean, variance); |
110 |
} |
111 |
|
112 |
// Re-seeding functions with same behavior as initializers |
113 |
void seed( const uint32 oneSeed ); |
114 |
|
115 |
void seed(); |
116 |
|
117 |
private: |
118 |
|
119 |
MTRand* mtRand_; |
120 |
}; |
121 |
|
122 |
|
123 |
inline OOPSERandNumGen::OOPSERandNumGen( const uint32& oneSeed) { |
124 |
#ifndef IS_MPI |
125 |
mtRand_ = new MTRand(oneSeed); |
126 |
#else |
127 |
int nProcessors; |
128 |
MPI_Comm_size(MPI_COMM_WORLD, &nProcessors); |
129 |
mtRand_ = new MTRand(oneSeed, nProcessors, worldRank); |
130 |
#endif |
131 |
|
132 |
} |
133 |
|
134 |
inline OOPSERandNumGen::OOPSERandNumGen() { |
135 |
#ifndef IS_MPI |
136 |
mtRand_ = new MTRand(); |
137 |
#else |
138 |
std::vector<uint32> bigSeed; |
139 |
const int masterNode = 0; |
140 |
int nProcessors; |
141 |
MPI_Comm_size(MPI_COMM_WORLD, &nProcessors); |
142 |
mtRand_ = new MTRand(nProcessors, worldRank); |
143 |
|
144 |
seed(); |
145 |
#endif |
146 |
|
147 |
} |
148 |
|
149 |
// Re-seeding functions with same behavior as initializers |
150 |
inline void OOPSERandNumGen::seed( const uint32 oneSeed ) { |
151 |
#ifndef IS_MPI |
152 |
mtRand_->seed(oneSeed); |
153 |
#else |
154 |
const int masterNode = 0; |
155 |
int seed = oneSeed; |
156 |
MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); |
157 |
|
158 |
if (seed != oneSeed) { |
159 |
sprintf(painCave.errMsg, |
160 |
"Using different seed to initialize OOPSERandNumGen.\n"); |
161 |
painCave.isFatal = 1;; |
162 |
simError(); |
163 |
} |
164 |
|
165 |
#endif |
166 |
} |
167 |
|
168 |
inline void OOPSERandNumGen::seed() { |
169 |
#ifndef IS_MPI |
170 |
mtRand_->seed(); |
171 |
#else |
172 |
|
173 |
std::vector<uint32> bigSeed; |
174 |
int size; |
175 |
const int masterNode = 0; |
176 |
if (worldRank == masterNode) { |
177 |
bigSeed = mtRand_->generateSeeds(); |
178 |
size = bigSeed.size(); |
179 |
MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD); |
180 |
MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); |
181 |
|
182 |
}else { |
183 |
MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD); |
184 |
bigSeed.resize(size); |
185 |
MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); |
186 |
} |
187 |
|
188 |
if (bigSeed.size() == 1) { |
189 |
mtRand_->seed(bigSeed[0]); |
190 |
} else { |
191 |
mtRand_->seed(&bigSeed[0], bigSeed.size()); |
192 |
} |
193 |
|
194 |
#endif |
195 |
} |
196 |
|
197 |
} |
198 |
#endif |