| 1 |
#ifndef __MPISIMULATION__ |
| 2 |
#define __MPISIMULATION__ |
| 3 |
|
| 4 |
#include "SimInfo.hpp" |
| 5 |
#include "MakeStamps.hpp" |
| 6 |
#define __C |
| 7 |
#include "mpiComponentPlan.h" |
| 8 |
|
| 9 |
#include "fortranWrapDefines.hpp" |
| 10 |
|
| 11 |
class mpiSimulation{ |
| 12 |
public: |
| 13 |
|
| 14 |
mpiSimulation(SimInfo* the_entryPlug); |
| 15 |
~mpiSimulation(); |
| 16 |
|
| 17 |
int *divideLabor( void ); |
| 18 |
|
| 19 |
int getMyNode(void) { return mpiPlug->myNode; } |
| 20 |
int getNumberProcessors(void) { return mpiPlug->numberProcessors; } |
| 21 |
int getMyNMol( void ) { return mpiPlug->myNMol; } |
| 22 |
int getMyNlocal( void ) { return mpiPlug->myNlocal; } |
| 23 |
int getTotAtoms( void ) { return mpiPlug->nAtomsGlobal; } |
| 24 |
int getTotNmol( void ) { return mpiPlug->nMolGlobal; } |
| 25 |
int* getAtomToProcMap( void ) { return AtomToProcMap; } |
| 26 |
int* getMolToProcMap( void ) { return MolToProcMap; } |
| 27 |
int* getMolComponentType(void) { return MolComponentType; } |
| 28 |
|
| 29 |
// sets the internal function pointer to fortran. |
| 30 |
|
| 31 |
void setInternal( void (*fSetup) setFortranMPIlist ){ |
| 32 |
setFsimParallel = fSetup; |
| 33 |
} |
| 34 |
|
| 35 |
|
| 36 |
// call at the begining and after load balancing |
| 37 |
|
| 38 |
void mpiRefresh( void ); |
| 39 |
|
| 40 |
protected: |
| 41 |
SimInfo* entryPlug; |
| 42 |
mpiSimData* mpiPlug; |
| 43 |
int *MolToProcMap; |
| 44 |
int *MolComponentType; |
| 45 |
int *AtomToProcMap; |
| 46 |
int *AtomType; |
| 47 |
|
| 48 |
// private function to initialize the fortran side of the simulation |
| 49 |
void (*setFsimParallel) setFortranMPIlist; |
| 50 |
|
| 51 |
// int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is. |
| 52 |
|
| 53 |
}; |
| 54 |
|
| 55 |
|
| 56 |
/** |
| 57 |
The following pointer is the global declaration of the mpiSim |
| 58 |
object created when the mpiSimulation creation routine is |
| 59 |
called. Every one who includes the header file will then have |
| 60 |
access to all of the routines in mpiSimulation class. |
| 61 |
*/ |
| 62 |
|
| 63 |
extern mpiSimulation* mpiSim; |
| 64 |
|
| 65 |
#endif |
