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root/group/trunk/OOPSE/libmdtools/mpiSimulation.cpp
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Comparing trunk/OOPSE/libmdtools/mpiSimulation.cpp (file contents):
Revision 441 by chuckv, Tue Apr 1 16:50:14 2003 UTC vs.
Revision 726 by tim, Tue Aug 26 20:37:30 2003 UTC

# Line 4 | Line 4
4   #include <cstring>
5   #include <cmath>
6   #include <mpi.h>
7 – #include <mpi++.h>
7  
8   #include "mpiSimulation.hpp"
9   #include "simError.h"
10   #include "fortranWrappers.hpp"
11   #include "randomSPRNG.hpp"
12  
14 – #define BASE_SEED 123456789
15 –
13   mpiSimulation* mpiSim;
14  
15   mpiSimulation::mpiSimulation(SimInfo* the_entryPlug)
# Line 20 | Line 17 | mpiSimulation::mpiSimulation(SimInfo* the_entryPlug)
17    entryPlug = the_entryPlug;
18    mpiPlug = new mpiSimData;
19    
20 <  mpiPlug->numberProcessors = MPI::COMM_WORLD.Get_size();
20 >  MPI_Comm_size(MPI_COMM_WORLD, &(mpiPlug->numberProcessors) );
21    mpiPlug->myNode = worldRank;
22  
23    MolToProcMap = new int[entryPlug->n_mol];
# Line 67 | Line 64 | int* mpiSimulation::divideLabor( void ){
64    int nmol_global, natoms_global;
65    int local_index, index;
66    int smallDiff, bigDiff;
67 <  int baseSeed = BASE_SEED;
67 >  int baseSeed = entryPlug->getSeed();
68  
69    int testSum;
70  
# Line 83 | Line 80 | int* mpiSimulation::divideLabor( void ){
80    mpiPlug->nSRIGlobal = entryPlug->n_SRI;
81    mpiPlug->nMolGlobal = entryPlug->n_mol;
82  
83 +  
84    myRandom = new randomSPRNG( baseSeed );
85  
86    a = 3.0 * (double)mpiPlug->nMolGlobal / (double)mpiPlug->nAtomsGlobal;
# Line 203 | Line 201 | int* mpiSimulation::divideLabor( void ){
201  
202      // Spray out this nonsense to all other processors:
203  
204 <    MPI::COMM_WORLD.Bcast(MolToProcMap, mpiPlug->nMolGlobal,
205 <                          MPI_INT, 0);
204 >    MPI_Bcast(MolToProcMap, mpiPlug->nMolGlobal,
205 >              MPI_INT, 0, MPI_COMM_WORLD);
206  
207 <    MPI::COMM_WORLD.Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal,
208 <                          MPI_INT, 0);
207 >    MPI_Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal,
208 >              MPI_INT, 0, MPI_COMM_WORLD);
209  
210 <    MPI::COMM_WORLD.Bcast(MolComponentType, mpiPlug->nMolGlobal,
211 <                          MPI_INT, 0);
210 >    MPI_Bcast(MolComponentType, mpiPlug->nMolGlobal,
211 >              MPI_INT, 0, MPI_COMM_WORLD);
212  
213 <    MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors,
214 <                          MPI_INT, 0);    
213 >    MPI_Bcast(AtomsPerProc, mpiPlug->numberProcessors,
214 >              MPI_INT, 0, MPI_COMM_WORLD);    
215    } else {
216  
217      // Listen to your marching orders from processor 0:
218      
219 <    MPI::COMM_WORLD.Bcast(MolToProcMap, mpiPlug->nMolGlobal,
220 <                          MPI_INT, 0);
219 >    MPI_Bcast(MolToProcMap, mpiPlug->nMolGlobal,
220 >              MPI_INT, 0, MPI_COMM_WORLD);
221      
222 <    MPI::COMM_WORLD.Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal,
223 <                          MPI_INT, 0);
222 >    MPI_Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal,
223 >              MPI_INT, 0, MPI_COMM_WORLD);
224  
225 <    MPI::COMM_WORLD.Bcast(MolComponentType, mpiPlug->nMolGlobal,
226 <                          MPI_INT, 0);
225 >    MPI_Bcast(MolComponentType, mpiPlug->nMolGlobal,
226 >              MPI_INT, 0, MPI_COMM_WORLD);
227      
228 <    MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors,
229 <                          MPI_INT, 0);
228 >    MPI_Bcast(AtomsPerProc, mpiPlug->numberProcessors,
229 >              MPI_INT, 0, MPI_COMM_WORLD);
230  
231  
232    }
# Line 250 | Line 248 | int* mpiSimulation::divideLabor( void ){
248      }
249    }
250  
251 <  MPI::COMM_WORLD.Allreduce(&nmol_local,&nmol_global,1,MPI_INT,MPI_SUM);
252 <  MPI::COMM_WORLD.Allreduce(&natoms_local,&natoms_global,1,MPI_INT,MPI_SUM);
251 >  MPI_Allreduce(&nmol_local,&nmol_global,1,MPI_INT,MPI_SUM,
252 >                MPI_COMM_WORLD);
253 >  MPI_Allreduce(&natoms_local,&natoms_global,1,MPI_INT,
254 >                MPI_SUM, MPI_COMM_WORLD);
255    
256    if( nmol_global != entryPlug->n_mol ){
257      sprintf( painCave.errMsg,

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