src/math/ParallelRandNumGen.cpp

/*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 2. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the appropriate papers when you publish your
 * work.  Good starting points are:
 *                                                                      
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 */

#include "math/ParallelRandNumGen.hpp"
#ifdef IS_MPI
#include <mpi.h>
#endif

namespace OpenMD {

  int ParallelRandNumGen::nCreatedRNG_ = 0;

  ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) {

    const int masterNode = 0;
    unsigned long seed = oneSeed;

#ifdef IS_MPI
    MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); 
#endif

    if (seed != oneSeed) {
      sprintf(painCave.errMsg,
              "Using different seed to initialize ParallelRandNumGen.\n");
      painCave.isFatal = 1;;
      simError();
    }

    int nProcessors;
#ifdef IS_MPI
    MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
    MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
#else
    nProcessors = 1;
    myRank_ = 0;
#endif
    //In order to generate independent random number stream, the
    //actual seed used by random number generator is the seed passed
    //to the constructor plus the number of random number generators
    //which are already created.
    unsigned long newSeed = oneSeed + nCreatedRNG_;
    mtRand_ = new MTRand(newSeed, nProcessors, myRank_);
    
    ++nCreatedRNG_;
  }

  ParallelRandNumGen::ParallelRandNumGen() {

    std::vector<uint32> bigSeed;
    const int masterNode = 0;
    int nProcessors;
#ifdef IS_MPI
    MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
    MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
#else
    nProcessors = 1;
    myRank_ = 0;
#endif
    mtRand_ = new MTRand(nProcessors, myRank_);

    seed();       /** @todo calling virtual function in constructor is
                      not a good design */
  }


  void ParallelRandNumGen::seed( const uint32 oneSeed ) {

    const int masterNode = 0;
    unsigned long seed = oneSeed;
#ifdef IS_MPI
    MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); 
#endif
    if (seed != oneSeed) {
      sprintf(painCave.errMsg,
              "Using different seed to initialize ParallelRandNumGen.\n");
      painCave.isFatal = 1;;
      simError();
    }
    
    unsigned long newSeed = oneSeed +nCreatedRNG_;
    mtRand_->seed(newSeed);
    
    ++nCreatedRNG_;
  }
        
  void ParallelRandNumGen::seed() {

    std::vector<uint32> bigSeed;
    int size;
    const int masterNode = 0;
#ifdef IS_MPI
    if (worldRank == masterNode) {
#endif

      bigSeed = mtRand_->generateSeeds();
      size = bigSeed.size();

#ifdef IS_MPI
      MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);        
      MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); 
    }else {
      MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);        
      bigSeed.resize(size);
      MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); 
    }
#endif
    
    if (bigSeed.size() == 1) {
      mtRand_->seed(bigSeed[0]);
    } else {
      mtRand_->seed(&bigSeed[0], bigSeed.size());
    }

    ++nCreatedRNG_;
  }        
}
Revision:	1782
Committed:	Wed Aug 22 02:28:28 2012 UTC (12 years, 8 months ago) by gezelter
File size:	5062 byte(s)
Log Message:	MERGE OpenMD development branch 1465:1781 into trunk
#	User	Rev	Content
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	gezelter	1390	* 1. Redistributions of source code must retain the above copyright
10	tim	388	* notice, this list of conditions and the following disclaimer.
11			*
12	gezelter	1390	* 2. Redistributions in binary form must reproduce the above copyright
13	tim	388	* notice, this list of conditions and the following disclaimer in the
14			* documentation and/or other materials provided with the
15			* distribution.
16			*
17			* This software is provided "AS IS," without a warranty of any
18			* kind. All express or implied conditions, representations and
19			* warranties, including any implied warranty of merchantability,
20			* fitness for a particular purpose or non-infringement, are hereby
21			* excluded. The University of Notre Dame and its licensors shall not
22			* be liable for any damages suffered by licensee as a result of
23			* using, modifying or distributing the software or its
24			* derivatives. In no event will the University of Notre Dame or its
25			* licensors be liable for any lost revenue, profit or data, or for
26			* direct, indirect, special, consequential, incidental or punitive
27			* damages, however caused and regardless of the theory of liability,
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	gezelter	1390	*
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	gezelter	1782	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40			* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41	tim	388	*/
42
43			#include "math/ParallelRandNumGen.hpp"
44			#ifdef IS_MPI
45			#include <mpi.h>
46	gezelter	1241	#endif
47	tim	388
48	gezelter	1390	namespace OpenMD {
49	tim	388
50	gezelter	507	int ParallelRandNumGen::nCreatedRNG_ = 0;
51	tim	388
52	gezelter	1241	ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) {
53	tim	388
54	tim	392	const int masterNode = 0;
55	gezelter	1313	unsigned long seed = oneSeed;
56
57	gezelter	1241	#ifdef IS_MPI
58	tim	392	MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
59	gezelter	1241	#endif
60	gezelter	1313
61	tim	392	if (seed != oneSeed) {
62	gezelter	507	sprintf(painCave.errMsg,
63			"Using different seed to initialize ParallelRandNumGen.\n");
64			painCave.isFatal = 1;;
65			simError();
66	tim	392	}
67
68	tim	388	int nProcessors;
69	gezelter	1241	#ifdef IS_MPI
70	gezelter	1313	MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
71	tim	398	MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
72	gezelter	1241	#else
73			nProcessors = 1;
74			myRank_ = 0;
75			#endif
76			//In order to generate independent random number stream, the
77			//actual seed used by random number generator is the seed passed
78			//to the constructor plus the number of random number generators
79			//which are already created.
80	gezelter	1313	unsigned long newSeed = oneSeed + nCreatedRNG_;
81	tim	398	mtRand_ = new MTRand(newSeed, nProcessors, myRank_);
82	gezelter	1241
83	tim	388	++nCreatedRNG_;
84	gezelter	507	}
85	tim	388
86	gezelter	507	ParallelRandNumGen::ParallelRandNumGen() {
87	tim	388
88			std::vector<uint32> bigSeed;
89			const int masterNode = 0;
90			int nProcessors;
91	gezelter	1241	#ifdef IS_MPI
92	gezelter	1313	MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
93	tim	398	MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
94	gezelter	1241	#else
95			nProcessors = 1;
96			myRank_ = 0;
97			#endif
98	tim	398	mtRand_ = new MTRand(nProcessors, myRank_);
99	tim	388
100	gezelter	1241	seed(); /** @todo calling virtual function in constructor is
101			not a good design */
102	gezelter	507	}
103	tim	388
104
105	gezelter	507	void ParallelRandNumGen::seed( const uint32 oneSeed ) {
106	tim	388
107			const int masterNode = 0;
108	gezelter	1313	unsigned long seed = oneSeed;
109	gezelter	1241	#ifdef IS_MPI
110	tim	388	MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
111	gezelter	1241	#endif
112	tim	388	if (seed != oneSeed) {
113	gezelter	507	sprintf(painCave.errMsg,
114			"Using different seed to initialize ParallelRandNumGen.\n");
115			painCave.isFatal = 1;;
116			simError();
117	tim	388	}
118	gezelter	1241
119	gezelter	1313	unsigned long newSeed = oneSeed +nCreatedRNG_;
120	tim	388	mtRand_->seed(newSeed);
121	gezelter	1241
122	tim	388	++nCreatedRNG_;
123	gezelter	507	}
124	tim	388
125	gezelter	507	void ParallelRandNumGen::seed() {
126	tim	388
127			std::vector<uint32> bigSeed;
128			int size;
129			const int masterNode = 0;
130	gezelter	1241	#ifdef IS_MPI
131	tim	388	if (worldRank == masterNode) {
132	gezelter	1241	#endif
133
134	gezelter	507	bigSeed = mtRand_->generateSeeds();
135			size = bigSeed.size();
136	gezelter	1241
137			#ifdef IS_MPI
138	gezelter	507	MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
139			MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
140	tim	388	}else {
141	gezelter	507	MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
142			bigSeed.resize(size);
143			MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
144	tim	388	}
145	gezelter	1241	#endif
146	tim	388
147			if (bigSeed.size() == 1) {
148	gezelter	507	mtRand_->seed(bigSeed[0]);
149	tim	388	} else {
150	gezelter	507	mtRand_->seed(&bigSeed[0], bigSeed.size());
151	tim	388	}
152
153			++nCreatedRNG_;
154	gezelter	1241	}
155	tim	388	}