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root/OpenMD/trunk/src/math/ParallelRandNumGen.cpp

Comparing trunk/src/math/ParallelRandNumGen.cpp (file contents):
Revision 392 by tim, Wed Mar 2 15:36:14 2005 UTC vs.
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC

#	Line 1 | Line 1
1	<	/*
1	>	/*
2		* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3		*
4		* The University of Notre Dame grants you ("Licensee") a
#	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
49	+	int ParallelRandNumGen::nCreatedRNG_ = 0;
50
51	+	ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) {
52
50	–	int ParallelRandNumGen::nCreatedRNG_ = 0;
51	–
52	–	ParallelRandNumGen::ParallelRandNumGen( const uint32& oneSeed) {
53	–
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,
62	<	"Using different seed to initialize ParallelRandNumGen.\n");
63	<	painCave.isFatal = 1;;
64	<	simError();
61	>	sprintf(painCave.errMsg,
62	>	"Using different seed to initialize ParallelRandNumGen.\n");
63	>	painCave.isFatal = 1;;
64	>	simError();
65		}
66
67		int nProcessors;
68	<	MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
69	<
70	<	//In order to generate independent random number stream, the actual seed used by random
71	<	//number generator is the seed passed to the constructor plus the number of random number
72	<	//generators which are already created.
73	<	int newSeed = oneSeed + nCreatedRNG_;
74	<	mtRand_ = new MTRand(newSeed, nProcessors, worldRank);
75	<
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	<	}
83	>	}
84
85	<	ParallelRandNumGen::ParallelRandNumGen() {
85	>	ParallelRandNumGen::ParallelRandNumGen() {
86
87		std::vector<uint32> bigSeed;
88		const int masterNode = 0;
89		int nProcessors;
90	<	MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
91	<	mtRand_ = new MTRand(nProcessors, worldRank);
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 */
100	<	}
99	>	seed();       /** @todo calling virtual function in constructor is
100	>	not a good design */
101	>	}
102
103
104	<	void ParallelRandNumGen::seed( const uint32 oneSeed ) {
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();
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	<	}
122	>	}
123
124	<	void ParallelRandNumGen::seed() {
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	<	bigSeed = mtRand_->generateSeeds();
115	<	size = bigSeed.size();
116	<	MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
117	<	MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
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);
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]);
147	>	mtRand_->seed(bigSeed[0]);
148		} else {
149	<	mtRand_->seed(&bigSeed[0], bigSeed.size());
149	>	mtRand_->seed(&bigSeed[0], bigSeed.size());
150		}
151
152		++nCreatedRNG_;
153	<	}
133	<
134	<
153	>	}
154		}
136	–
137	–	#endif

Comparing trunk/src/math/ParallelRandNumGen.cpp (property svn:keywords):
Revision 392 by tim, Wed Mar 2 15:36:14 2005 UTC vs.
Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC

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