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

Comparing trunk/src/math/ParallelRandNumGen.cpp (file contents):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1796 by gezelter, Mon Sep 10 18:38:44 2012 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]  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"
44		#ifdef IS_MPI
45		#include <mpi.h>
46	+	#endif
47
48	<	namespace oopse {
48	>	namespace OpenMD {
49
48	–
49	–
50		int ParallelRandNumGen::nCreatedRNG_ = 0;
51
52	<	ParallelRandNumGen::ParallelRandNumGen( const uint32& oneSeed) {
52	>	ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) {
53
54	+	unsigned long seed = oneSeed;
55	+
56	+	#ifdef IS_MPI
57		const int masterNode = 0;
58	<	int seed = oneSeed;
59	<	MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
58	>	MPI::COMM_WORLD.Bcast(&seed, 1, MPI::UNSIGNED_LONG, masterNode);
59	>	#endif
60
61		if (seed != oneSeed) {
62		sprintf(painCave.errMsg,
#	Line 63 | Line 66 | namespace oopse {
66		}
67
68		int nProcessors;
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_;
69	>	#ifdef IS_MPI
70	>	nProcessors = MPI::COMM_WORLD.Get_size();
71	>	myRank_ = MPI::COMM_WORLD.Get_rank();
72	>	#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	>	unsigned long newSeed = oneSeed + nCreatedRNG_;
81		mtRand_ = new MTRand(newSeed, nProcessors, myRank_);
82	<
82	>
83		++nCreatedRNG_;
84		}
85
86		ParallelRandNumGen::ParallelRandNumGen() {
87
88		std::vector<uint32> bigSeed;
80	–	const int masterNode = 0;
89		int nProcessors;
90	<	MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
91	<	MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
90	>	#ifdef IS_MPI
91	>	nProcessors = MPI::COMM_WORLD.Get_size();
92	>	myRank_ = MPI::COMM_WORLD.Get_rank();
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	+	unsigned long seed = oneSeed;
107	+	#ifdef IS_MPI
108		const int masterNode = 0;
109	<	int seed = oneSeed;
110	<	MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
95	<
109	>	MPI::COMM_WORLD.Bcast(&seed, 1, MPI::UNSIGNED_LONG, masterNode);
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 110 | Line 125 | namespace oopse {
125
126		std::vector<uint32> bigSeed;
127		int size;
128	+
129	+	#ifdef IS_MPI
130		const int masterNode = 0;
131		if (worldRank == masterNode) {
132	+	#endif
133	+
134		bigSeed = mtRand_->generateSeeds();
135		size = bigSeed.size();
117	–	MPI_Bcast(&size, 1, MPI_INT, masterNode, MPI_COMM_WORLD);
118	–	MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
136
137	+	#ifdef IS_MPI
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
147		if (bigSeed.size() == 1) {
148		mtRand_->seed(bigSeed[0]);
#	Line 130 | Line 151 | namespace oopse {
151		}
152
153		++nCreatedRNG_;
154	<	}
134	<
135	<
154	>	}
155		}
137	–
138	–	#endif

Comparing trunk/src/math/ParallelRandNumGen.cpp (property svn:keywords):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1796 by gezelter, Mon Sep 10 18:38:44 2012 UTC

#	Line 0 | Line 1
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