| 1 | gezelter | 507 | /* | 
| 2 | tim | 388 | * 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 | gezelter | 1241 | #endif | 
| 46 | tim | 388 |  | 
| 47 |  |  | namespace oopse { | 
| 48 |  |  |  | 
| 49 | gezelter | 507 | int ParallelRandNumGen::nCreatedRNG_ = 0; | 
| 50 | tim | 388 |  | 
| 51 | gezelter | 1241 | ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) { | 
| 52 | tim | 388 |  | 
| 53 | tim | 392 | const int masterNode = 0; | 
| 54 |  |  | int seed = oneSeed; | 
| 55 | gezelter | 1241 | #ifdef IS_MPI | 
| 56 | tim | 392 | MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); | 
| 57 | gezelter | 1241 | #endif | 
| 58 | tim | 392 | if (seed != oneSeed) { | 
| 59 | gezelter | 507 | sprintf(painCave.errMsg, | 
| 60 |  |  | "Using different seed to initialize ParallelRandNumGen.\n"); | 
| 61 |  |  | painCave.isFatal = 1;; | 
| 62 |  |  | simError(); | 
| 63 | tim | 392 | } | 
| 64 |  |  |  | 
| 65 | tim | 388 | int nProcessors; | 
| 66 | gezelter | 1241 | #ifdef IS_MPI | 
| 67 | tim | 388 | MPI_Comm_size(MPI_COMM_WORLD, &nProcessors); | 
| 68 | tim | 398 | MPI_Comm_rank( MPI_COMM_WORLD, &myRank_); | 
| 69 | gezelter | 1241 | #else | 
| 70 |  |  | nProcessors = 1; | 
| 71 |  |  | myRank_ = 0; | 
| 72 |  |  | #endif | 
| 73 |  |  | //In order to generate independent random number stream, the | 
| 74 |  |  | //actual seed used by random number generator is the seed passed | 
| 75 |  |  | //to the constructor plus the number of random number generators | 
| 76 |  |  | //which are already created. | 
| 77 | tim | 392 | int newSeed = oneSeed + nCreatedRNG_; | 
| 78 | tim | 398 | mtRand_ = new MTRand(newSeed, nProcessors, myRank_); | 
| 79 | gezelter | 1241 |  | 
| 80 | tim | 388 | ++nCreatedRNG_; | 
| 81 | gezelter | 507 | } | 
| 82 | tim | 388 |  | 
| 83 | gezelter | 507 | ParallelRandNumGen::ParallelRandNumGen() { | 
| 84 | tim | 388 |  | 
| 85 |  |  | std::vector<uint32> bigSeed; | 
| 86 |  |  | const int masterNode = 0; | 
| 87 |  |  | int nProcessors; | 
| 88 | gezelter | 1241 | #ifdef IS_MPI | 
| 89 | tim | 388 | MPI_Comm_size(MPI_COMM_WORLD, &nProcessors); | 
| 90 | tim | 398 | MPI_Comm_rank( MPI_COMM_WORLD, &myRank_); | 
| 91 | gezelter | 1241 | #else | 
| 92 |  |  | nProcessors = 1; | 
| 93 |  |  | myRank_ = 0; | 
| 94 |  |  | #endif | 
| 95 | tim | 398 | mtRand_ = new MTRand(nProcessors, myRank_); | 
| 96 | tim | 388 |  | 
| 97 | gezelter | 1241 | seed();       /** @todo calling virtual function in constructor is | 
| 98 |  |  | not a good design */ | 
| 99 | gezelter | 507 | } | 
| 100 | tim | 388 |  | 
| 101 |  |  |  | 
| 102 | gezelter | 507 | void ParallelRandNumGen::seed( const uint32 oneSeed ) { | 
| 103 | tim | 388 |  | 
| 104 |  |  | const int masterNode = 0; | 
| 105 |  |  | int seed = oneSeed; | 
| 106 | gezelter | 1241 | #ifdef IS_MPI | 
| 107 | tim | 388 | MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); | 
| 108 | gezelter | 1241 | #endif | 
| 109 | tim | 388 | if (seed != oneSeed) { | 
| 110 | gezelter | 507 | sprintf(painCave.errMsg, | 
| 111 |  |  | "Using different seed to initialize ParallelRandNumGen.\n"); | 
| 112 |  |  | painCave.isFatal = 1;; | 
| 113 |  |  | simError(); | 
| 114 | tim | 388 | } | 
| 115 | gezelter | 1241 |  | 
| 116 | tim | 388 | int newSeed = oneSeed +nCreatedRNG_; | 
| 117 |  |  | mtRand_->seed(newSeed); | 
| 118 | gezelter | 1241 |  | 
| 119 | tim | 388 | ++nCreatedRNG_; | 
| 120 | gezelter | 507 | } | 
| 121 | tim | 388 |  | 
| 122 | gezelter | 507 | void ParallelRandNumGen::seed() { | 
| 123 | tim | 388 |  | 
| 124 |  |  | std::vector<uint32> bigSeed; | 
| 125 |  |  | int size; | 
| 126 |  |  | const int masterNode = 0; | 
| 127 | gezelter | 1241 | #ifdef IS_MPI | 
| 128 | tim | 388 | if (worldRank == masterNode) { | 
| 129 | gezelter | 1241 | #endif | 
| 130 |  |  |  | 
| 131 | gezelter | 507 | bigSeed = mtRand_->generateSeeds(); | 
| 132 |  |  | size = bigSeed.size(); | 
| 133 | gezelter | 1241 |  | 
| 134 |  |  | #ifdef IS_MPI | 
| 135 | gezelter | 507 | MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD); | 
| 136 |  |  | MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); | 
| 137 | tim | 388 | }else { | 
| 138 | gezelter | 507 | MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD); | 
| 139 |  |  | bigSeed.resize(size); | 
| 140 |  |  | MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); | 
| 141 | tim | 388 | } | 
| 142 | gezelter | 1241 | #endif | 
| 143 | tim | 388 |  | 
| 144 |  |  | if (bigSeed.size() == 1) { | 
| 145 | gezelter | 507 | mtRand_->seed(bigSeed[0]); | 
| 146 | tim | 388 | } else { | 
| 147 | gezelter | 507 | mtRand_->seed(&bigSeed[0], bigSeed.size()); | 
| 148 | tim | 388 | } | 
| 149 |  |  |  | 
| 150 |  |  | ++nCreatedRNG_; | 
| 151 | gezelter | 1241 | } | 
| 152 | tim | 388 | } |