# | 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" | |
# | Line 20 | Line 19 | mpiSimulation::mpiSimulation(SimInfo* the_entryPlug) | |
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]; | |
# | Line 203 | Line 202 | int* mpiSimulation::divideLabor( void ){ | |
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 | } | |
# | Line 250 | Line 249 | int* mpiSimulation::divideLabor( void ){ | |
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, |
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