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

Comparing trunk/src/math/ParallelRandNumGen.cpp (file contents):
Revision 1241 by gezelter, Fri Apr 25 15:14:47 2008 UTC vs.
Revision 1969 by gezelter, Wed Feb 26 14:14:50 2014 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		*/
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		ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) {
53
54	<	const int masterNode = 0;
55	<	int seed = 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");
#	Line 64 | Line 67 | namespace oopse {
67
68		int nProcessors;
69		#ifdef IS_MPI
70	<	MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
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;
#	Line 74 | Line 78 | namespace oopse {
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	<	int newSeed = oneSeed + nCreatedRNG_;
81	>	unsigned long newSeed = oneSeed + nCreatedRNG_;
82		mtRand_ = new MTRand(newSeed, nProcessors, myRank_);
83
84		++nCreatedRNG_;
#	Line 82 | Line 86 | namespace oopse {
86
87		ParallelRandNumGen::ParallelRandNumGen() {
88
85	–	std::vector<uint32> bigSeed;
86	–	const int masterNode = 0;
89		int nProcessors;
90		#ifdef IS_MPI
91	<	MPI_Comm_size(MPI_COMM_WORLD, &nProcessors);
91	>	MPI_Comm_size( MPI_COMM_WORLD, &nProcessors);
92		MPI_Comm_rank( MPI_COMM_WORLD, &myRank_);
93		#else
94		nProcessors = 1;
#	Line 101 | Line 103 | namespace oopse {
103
104		void ParallelRandNumGen::seed( const uint32 oneSeed ) {
105
106	<	const int masterNode = 0;
105	<	int seed = oneSeed;
106	>	unsigned long seed = oneSeed;
107		#ifdef IS_MPI
108	+	const int masterNode = 0;
109		MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD);
110		#endif
111		if (seed != oneSeed) {
#	Line 113 | Line 115 | namespace oopse {
115		simError();
116		}
117
118	<	int newSeed = oneSeed +nCreatedRNG_;
118	>	unsigned long newSeed = oneSeed +nCreatedRNG_;
119		mtRand_->seed(newSeed);
120
121		++nCreatedRNG_;
#	Line 122 | 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;
127	–	#ifdef IS_MPI
131		if (worldRank == masterNode) {
132		#endif
133
134		bigSeed = mtRand_->generateSeeds();
132	–	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_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);
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);
144	>	MPI_Bcast(&bigSeed[0], size, MPI_UNSIGNED_LONG, masterNode,
145	>	MPI_COMM_WORLD);
146		}
147		#endif
148

Comparing trunk/src/math/ParallelRandNumGen.cpp (property svn:keywords):
Revision 1241 by gezelter, Fri Apr 25 15:14:47 2008 UTC vs.
Revision 1969 by gezelter, Wed Feb 26 14:14:50 2014 UTC

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