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Comparing:
trunk/src/math/ParallelRandNumGen.cpp (file contents), Revision 1313 by gezelter, Wed Oct 22 20:01:49 2008 UTC vs.
branches/development/src/math/ParallelRandNumGen.cpp (file contents), Revision 1850 by gezelter, Wed Feb 20 15:39:39 2013 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, 234107 (2008).          
39 + * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 + * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42  
43   #include "math/ParallelRandNumGen.hpp"
# Line 44 | Line 45
45   #include <mpi.h>
46   #endif
47  
48 < namespace oopse {
48 > namespace OpenMD {
49  
50    int ParallelRandNumGen::nCreatedRNG_ = 0;
51  
52    ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) {
53  
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);
57 >    const int masterNode = 0;
58 >    MPI::COMM_WORLD.Bcast(&seed, 1, MPI::UNSIGNED_LONG, masterNode);
59   #endif
60  
61      if (seed != oneSeed) {
# Line 66 | Line 67 | namespace oopse {
67  
68      int nProcessors;
69   #ifdef IS_MPI
70 <    MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
71 <    MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
70 >    nProcessors = MPI::COMM_WORLD.Get_size();
71 >    myRank_ = MPI::COMM_WORLD.Get_rank();
72   #else
73      nProcessors = 1;
74      myRank_ = 0;
# Line 85 | Line 86 | namespace oopse {
86    ParallelRandNumGen::ParallelRandNumGen() {
87  
88      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_);
91 >    nProcessors = MPI::COMM_WORLD.Get_size();
92 >    myRank_ = MPI::COMM_WORLD.Get_rank();
93   #else
94      nProcessors = 1;
95      myRank_ = 0;
# Line 103 | Line 103 | namespace oopse {
103  
104    void ParallelRandNumGen::seed( const uint32 oneSeed ) {
105  
106 –    const int masterNode = 0;
106      unsigned long seed = oneSeed;
107   #ifdef IS_MPI
108 <    MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
108 >    const int masterNode = 0;
109 >    MPI::COMM_WORLD.Bcast(&seed, 1, MPI::UNSIGNED_LONG, masterNode);
110   #endif
111      if (seed != oneSeed) {
112        sprintf(painCave.errMsg,
# Line 124 | Line 124 | namespace oopse {
124    void ParallelRandNumGen::seed() {
125  
126      std::vector<uint32> bigSeed;
127 +
128 + #ifdef IS_MPI
129      int size;
130      const int masterNode = 0;
129 – #ifdef IS_MPI
131      if (worldRank == masterNode) {
132   #endif
133  
134        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);
137 >      size = bigSeed.size();
138 >      MPI::COMM_WORLD.Bcast(&size, 1, MPI::INT, masterNode);
139 >      MPI::COMM_WORLD.Bcast(&bigSeed[0], size, MPI::UNSIGNED_LONG, masterNode);
140      }else {
141 <      MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);        
141 >      MPI::COMM_WORLD.Bcast(&size, 1, MPI::INT, masterNode);
142        bigSeed.resize(size);
143 <      MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
143 >      MPI::COMM_WORLD.Bcast(&bigSeed[0], size, MPI::UNSIGNED_LONG, masterNode);
144      }
145   #endif
146      

Comparing:
trunk/src/math/ParallelRandNumGen.cpp (property svn:keywords), Revision 1313 by gezelter, Wed Oct 22 20:01:49 2008 UTC vs.
branches/development/src/math/ParallelRandNumGen.cpp (property svn:keywords), Revision 1850 by gezelter, Wed Feb 20 15:39:39 2013 UTC

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