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root/OpenMD/trunk/src/math/ParallelRandNumGen.cpp
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Comparing trunk/src/math/ParallelRandNumGen.cpp (file contents):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC

# Line 6 | Line 6
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
9 > * 1. Redistributions of source code must retain the above copyright
10   *    notice, this list of conditions and the following disclaimer.
11   *
12 < * 3. Redistributions in binary form must reproduce the above copyright
12 > * 2. Redistributions in binary form must reproduce the above copyright
13   *    notice, this list of conditions and the following disclaimer in the
14   *    documentation and/or other materials provided with the
15   *    distribution.
# Line 37 | Line 28
28   * arising out of the use of or inability to use software, even if the
29   * University of Notre Dame has been advised of the possibility of
30   * such damages.
31 + *
32 + * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33 + * research, please cite the appropriate papers when you publish your
34 + * work.  Good starting points are:
35 + *                                                                      
36 + * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37 + * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 + * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
39 + * [4]  Vardeman & Gezelter, in progress (2009).                        
40   */
41  
42   #include "math/ParallelRandNumGen.hpp"
43   #ifdef IS_MPI
44   #include <mpi.h>
45 + #endif
46  
47 < namespace oopse {
47 > namespace OpenMD {
48  
48 –
49 –
49    int ParallelRandNumGen::nCreatedRNG_ = 0;
50  
51 <  ParallelRandNumGen::ParallelRandNumGen( const uint32& oneSeed) {
51 >  ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) {
52  
53      const int masterNode = 0;
54 <    int seed = oneSeed;
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,
# Line 63 | Line 65 | namespace oopse {
65      }
66  
67      int nProcessors;
68 <    MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
68 > #ifdef IS_MPI
69 >    MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
70      MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
71 <    //In order to generate independent random number stream, the actual seed used by random
72 <    //number generator is the seed passed to the constructor plus the number of random number
73 <    //generators which are already created.    
74 <    int newSeed = oneSeed + nCreatedRNG_;
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 <
81 >    
82      ++nCreatedRNG_;
83    }
84  
# Line 79 | Line 87 | namespace oopse {
87      std::vector<uint32> bigSeed;
88      const int masterNode = 0;
89      int nProcessors;
90 <    MPI_Comm_size(MPI_COMM_WORLD, &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 not a good design */
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 <    int seed = oneSeed;
107 >    unsigned long seed = oneSeed;
108 > #ifdef IS_MPI
109      MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
110 <
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 <    int newSeed = oneSeed +nCreatedRNG_;
117 >    
118 >    unsigned long newSeed = oneSeed +nCreatedRNG_;
119      mtRand_->seed(newSeed);
120 <
120 >    
121      ++nCreatedRNG_;
122    }
123          
# Line 111 | Line 126 | namespace oopse {
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);
119 –
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]);
# Line 130 | Line 150 | namespace oopse {
150      }
151  
152      ++nCreatedRNG_;
153 <  }    
134 <
135 <
153 >  }        
154   }
137 –
138 – #endif

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