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root/group/trunk/OOPSE-4/src/math/ParallelRandNumGen.cpp
Revision: 3470
Committed: Wed Oct 22 20:01:49 2008 UTC (15 years, 8 months ago) by gezelter
File size: 4954 byte(s)
Log Message:
General bug-fixes and other changes to make particle pots work with
the Helfand Energy correlation function

File Contents

# Content
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 #include "math/ParallelRandNumGen.hpp"
43 #ifdef IS_MPI
44 #include <mpi.h>
45 #endif
46
47 namespace oopse {
48
49 int ParallelRandNumGen::nCreatedRNG_ = 0;
50
51 ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) {
52
53 const int masterNode = 0;
54 unsigned long seed = oneSeed;
55
56 #ifdef IS_MPI
57 MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
58 #endif
59
60 if (seed != oneSeed) {
61 sprintf(painCave.errMsg,
62 "Using different seed to initialize ParallelRandNumGen.\n");
63 painCave.isFatal = 1;;
64 simError();
65 }
66
67 int nProcessors;
68 #ifdef IS_MPI
69 MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
70 MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
71 #else
72 nProcessors = 1;
73 myRank_ = 0;
74 #endif
75 //In order to generate independent random number stream, the
76 //actual seed used by random number generator is the seed passed
77 //to the constructor plus the number of random number generators
78 //which are already created.
79 unsigned long newSeed = oneSeed + nCreatedRNG_;
80 mtRand_ = new MTRand(newSeed, nProcessors, myRank_);
81
82 ++nCreatedRNG_;
83 }
84
85 ParallelRandNumGen::ParallelRandNumGen() {
86
87 std::vector<uint32> bigSeed;
88 const int masterNode = 0;
89 int nProcessors;
90 #ifdef IS_MPI
91 MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
92 MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
93 #else
94 nProcessors = 1;
95 myRank_ = 0;
96 #endif
97 mtRand_ = new MTRand(nProcessors, myRank_);
98
99 seed(); /** @todo calling virtual function in constructor is
100 not a good design */
101 }
102
103
104 void ParallelRandNumGen::seed( const uint32 oneSeed ) {
105
106 const int masterNode = 0;
107 unsigned long seed = oneSeed;
108 #ifdef IS_MPI
109 MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
110 #endif
111 if (seed != oneSeed) {
112 sprintf(painCave.errMsg,
113 "Using different seed to initialize ParallelRandNumGen.\n");
114 painCave.isFatal = 1;;
115 simError();
116 }
117
118 unsigned long newSeed = oneSeed +nCreatedRNG_;
119 mtRand_->seed(newSeed);
120
121 ++nCreatedRNG_;
122 }
123
124 void ParallelRandNumGen::seed() {
125
126 std::vector<uint32> bigSeed;
127 int size;
128 const int masterNode = 0;
129 #ifdef IS_MPI
130 if (worldRank == masterNode) {
131 #endif
132
133 bigSeed = mtRand_->generateSeeds();
134 size = bigSeed.size();
135
136 #ifdef IS_MPI
137 MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
138 MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
139 }else {
140 MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
141 bigSeed.resize(size);
142 MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
143 }
144 #endif
145
146 if (bigSeed.size() == 1) {
147 mtRand_->seed(bigSeed[0]);
148 } else {
149 mtRand_->seed(&bigSeed[0], bigSeed.size());
150 }
151
152 ++nCreatedRNG_;
153 }
154 }

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