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

Comparing trunk/src/math/ParallelRandNumGen.cpp (file contents):
Revision 388 by tim, Tue Mar 1 23:02:33 2005 UTC vs.
Revision 1969 by gezelter, Wed Feb 26 14:14:50 2014 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, 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		*/
41	–
42	–	#include "math/ParallelRandNumGen.hpp"
42		#ifdef IS_MPI
43		#include <mpi.h>
44	+	#endif
45
46	<	namespace oopse {
46	>	#include "math/ParallelRandNumGen.hpp"
47
48	+	namespace OpenMD {
49
50	+	int ParallelRandNumGen::nCreatedRNG_ = 0;
51
52	<	int ParallelRandNumGen::nCreatedRNG_ = 0;
52	>	ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) {
53
54	<	ParallelRandNumGen::ParallelRandNumGen( const uint32& oneSeed) {
54	>	unsigned long seed = oneSeed;
55
56	+	#ifdef IS_MPI
57	+	const int masterNode = 0;
58	+	MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
59	+	#endif
60	+
61	+	if (seed != oneSeed) {
62	+	sprintf(painCave.errMsg,
63	+	"Using different seed to initialize ParallelRandNumGen.\n");
64	+	painCave.isFatal = 1;;
65	+	simError();
66	+	}
67	+
68		int nProcessors;
69	<	MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
70	<	int newSeed = oneSeed +nCreatedRNG_;
71	<	mtRand_ = new MTRand(newSeed, nProcessors, worldRank);
69	>	#ifdef IS_MPI
70	>	MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
71	>	MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
72
73	+	#else
74	+	nProcessors = 1;
75	+	myRank_ = 0;
76	+	#endif
77	+	//In order to generate independent random number stream, the
78	+	//actual seed used by random number generator is the seed passed
79	+	//to the constructor plus the number of random number generators
80	+	//which are already created.
81	+	unsigned long newSeed = oneSeed + nCreatedRNG_;
82	+	mtRand_ = new MTRand(newSeed, nProcessors, myRank_);
83	+
84		++nCreatedRNG_;
85	<	}
85	>	}
86
87	<	ParallelRandNumGen::ParallelRandNumGen() {
87	>	ParallelRandNumGen::ParallelRandNumGen() {
88
64	–	std::vector<uint32> bigSeed;
65	–	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();
100	<	++nCreatedRNG_;
101	<	}
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	+	unsigned long seed = oneSeed;
107	+	#ifdef IS_MPI
108		const int masterNode = 0;
78	–	int seed = oneSeed;
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	+
128	+	#ifdef IS_MPI
129		int size;
130		const int masterNode = 0;
131		if (worldRank == masterNode) {
132	<	bigSeed = mtRand_->generateSeeds();
101	<	size = bigSeed.size();
102	<	MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
103	<	MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
132	>	#endif
133
134	+	bigSeed = mtRand_->generateSeeds();
135	+
136	+	#ifdef IS_MPI
137	+	size = bigSeed.size();
138	+	MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
139	+	MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode,
140	+	MPI_COMM_WORLD);
141		}else {
142	<	MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
143	<	bigSeed.resize(size);
144	<	MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
142	>	MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
143	>	bigSeed.resize(size);
144	>	MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode,
145	>	MPI_COMM_WORLD);
146		}
147	+	#endif
148
149		if (bigSeed.size() == 1) {
150	<	mtRand_->seed(bigSeed[0]);
150	>	mtRand_->seed(bigSeed[0]);
151		} else {
152	<	mtRand_->seed(&bigSeed[0], bigSeed.size());
152	>	mtRand_->seed(&bigSeed[0], bigSeed.size());
153		}
154
155		++nCreatedRNG_;
156	<	}
119	<
120	<
156	>	}
157		}
122	–
123	–	#endif

Comparing trunk/src/math/ParallelRandNumGen.cpp (property svn:keywords):
Revision 388 by tim, Tue Mar 1 23:02:33 2005 UTC vs.
Revision 1969 by gezelter, Wed Feb 26 14:14:50 2014 UTC

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