| 4 |
|
#include <cstring> |
| 5 |
|
#include <cmath> |
| 6 |
|
#include <mpi.h> |
| 7 |
– |
#include <mpi++.h> |
| 7 |
|
|
| 8 |
|
#include "mpiSimulation.hpp" |
| 9 |
|
#include "simError.h" |
| 19 |
|
entryPlug = the_entryPlug; |
| 20 |
|
mpiPlug = new mpiSimData; |
| 21 |
|
|
| 22 |
< |
mpiPlug->numberProcessors = MPI::COMM_WORLD.Get_size(); |
| 22 |
> |
MPI_Comm_size(MPI_COMM_WORLD, &(mpiPlug->numberProcessors) ); |
| 23 |
|
mpiPlug->myNode = worldRank; |
| 24 |
|
|
| 25 |
|
MolToProcMap = new int[entryPlug->n_mol]; |
| 202 |
|
|
| 203 |
|
// Spray out this nonsense to all other processors: |
| 204 |
|
|
| 205 |
< |
MPI::COMM_WORLD.Bcast(MolToProcMap, mpiPlug->nMolGlobal, |
| 206 |
< |
MPI_INT, 0); |
| 205 |
> |
MPI_Bcast(MolToProcMap, mpiPlug->nMolGlobal, |
| 206 |
> |
MPI_INT, 0, MPI_COMM_WORLD); |
| 207 |
|
|
| 208 |
< |
MPI::COMM_WORLD.Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, |
| 209 |
< |
MPI_INT, 0); |
| 208 |
> |
MPI_Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, |
| 209 |
> |
MPI_INT, 0, MPI_COMM_WORLD); |
| 210 |
|
|
| 211 |
< |
MPI::COMM_WORLD.Bcast(MolComponentType, mpiPlug->nMolGlobal, |
| 212 |
< |
MPI_INT, 0); |
| 211 |
> |
MPI_Bcast(MolComponentType, mpiPlug->nMolGlobal, |
| 212 |
> |
MPI_INT, 0, MPI_COMM_WORLD); |
| 213 |
|
|
| 214 |
< |
MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors, |
| 215 |
< |
MPI_INT, 0); |
| 214 |
> |
MPI_Bcast(AtomsPerProc, mpiPlug->numberProcessors, |
| 215 |
> |
MPI_INT, 0, MPI_COMM_WORLD); |
| 216 |
|
} else { |
| 217 |
|
|
| 218 |
|
// Listen to your marching orders from processor 0: |
| 219 |
|
|
| 220 |
< |
MPI::COMM_WORLD.Bcast(MolToProcMap, mpiPlug->nMolGlobal, |
| 221 |
< |
MPI_INT, 0); |
| 220 |
> |
MPI_Bcast(MolToProcMap, mpiPlug->nMolGlobal, |
| 221 |
> |
MPI_INT, 0, MPI_COMM_WORLD); |
| 222 |
|
|
| 223 |
< |
MPI::COMM_WORLD.Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, |
| 224 |
< |
MPI_INT, 0); |
| 223 |
> |
MPI_Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, |
| 224 |
> |
MPI_INT, 0, MPI_COMM_WORLD); |
| 225 |
|
|
| 226 |
< |
MPI::COMM_WORLD.Bcast(MolComponentType, mpiPlug->nMolGlobal, |
| 227 |
< |
MPI_INT, 0); |
| 226 |
> |
MPI_Bcast(MolComponentType, mpiPlug->nMolGlobal, |
| 227 |
> |
MPI_INT, 0, MPI_COMM_WORLD); |
| 228 |
|
|
| 229 |
< |
MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors, |
| 230 |
< |
MPI_INT, 0); |
| 229 |
> |
MPI_Bcast(AtomsPerProc, mpiPlug->numberProcessors, |
| 230 |
> |
MPI_INT, 0, MPI_COMM_WORLD); |
| 231 |
|
|
| 232 |
|
|
| 233 |
|
} |
| 249 |
|
} |
| 250 |
|
} |
| 251 |
|
|
| 252 |
< |
MPI::COMM_WORLD.Allreduce(&nmol_local,&nmol_global,1,MPI_INT,MPI_SUM); |
| 253 |
< |
MPI::COMM_WORLD.Allreduce(&natoms_local,&natoms_global,1,MPI_INT,MPI_SUM); |
| 252 |
> |
MPI_Allreduce(&nmol_local,&nmol_global,1,MPI_INT,MPI_SUM, |
| 253 |
> |
MPI_COMM_WORLD); |
| 254 |
> |
MPI_Allreduce(&natoms_local,&natoms_global,1,MPI_INT, |
| 255 |
> |
MPI_SUM, MPI_COMM_WORLD); |
| 256 |
|
|
| 257 |
|
if( nmol_global != entryPlug->n_mol ){ |
| 258 |
|
sprintf( painCave.errMsg, |