--- trunk/src/math/ParallelRandNumGen.cpp 2008/04/25 15:14:47 1241 +++ branches/development/src/math/ParallelRandNumGen.cpp 2010/07/09 23:08:25 1465 @@ -6,19 +6,10 @@ * redistribute this software in source and binary code form, provided * that the following conditions are met: * - * 1. Acknowledgement of the program authors must be made in any - * publication of scientific results based in part on use of the - * program. An acceptable form of acknowledgement is citation of - * the article in which the program was described (Matthew - * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher - * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented - * Parallel Simulation Engine for Molecular Dynamics," - * J. Comput. Chem. 26, pp. 252-271 (2005)) - * - * 2. Redistributions of source code must retain the above copyright + * 1. Redistributions of source code must retain the above copyright * notice, this list of conditions and the following disclaimer. * - * 3. Redistributions in binary form must reproduce the above copyright + * 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. @@ -37,6 +28,15 @@ * 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] Vardeman & Gezelter, in progress (2009). */ #include "math/ParallelRandNumGen.hpp" @@ -44,17 +44,19 @@ #include #endif -namespace oopse { +namespace OpenMD { int ParallelRandNumGen::nCreatedRNG_ = 0; ParallelRandNumGen::ParallelRandNumGen(const uint32& oneSeed) { const int masterNode = 0; - int seed = oneSeed; + 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"); @@ -64,7 +66,7 @@ namespace oopse { int nProcessors; #ifdef IS_MPI - MPI_Comm_size(MPI_COMM_WORLD, &nProcessors); + MPI_Comm_size( MPI_COMM_WORLD, &nProcessors); MPI_Comm_rank( MPI_COMM_WORLD, &myRank_); #else nProcessors = 1; @@ -74,7 +76,7 @@ namespace oopse { //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. - int newSeed = oneSeed + nCreatedRNG_; + unsigned long newSeed = oneSeed + nCreatedRNG_; mtRand_ = new MTRand(newSeed, nProcessors, myRank_); ++nCreatedRNG_; @@ -86,7 +88,7 @@ namespace oopse { const int masterNode = 0; int nProcessors; #ifdef IS_MPI - MPI_Comm_size(MPI_COMM_WORLD, &nProcessors); + MPI_Comm_size( MPI_COMM_WORLD, &nProcessors); MPI_Comm_rank( MPI_COMM_WORLD, &myRank_); #else nProcessors = 1; @@ -102,7 +104,7 @@ namespace oopse { void ParallelRandNumGen::seed( const uint32 oneSeed ) { const int masterNode = 0; - int seed = oneSeed; + unsigned long seed = oneSeed; #ifdef IS_MPI MPI_Bcast(&seed, 1, MPI_UNSIGNED_LONG, masterNode, MPI_COMM_WORLD); #endif @@ -113,7 +115,7 @@ namespace oopse { simError(); } - int newSeed = oneSeed +nCreatedRNG_; + unsigned long newSeed = oneSeed +nCreatedRNG_; mtRand_->seed(newSeed); ++nCreatedRNG_;