OOPSE/libmdtools/mpiSimulation.hpp

#ifndef __MPISIMULATION__
#define __MPISIMULATION__

#include "SimInfo.hpp"
#include "MakeStamps.hpp"
#define __C
#include "mpiComponentPlan.h"

#include "fortranWrapDefines.hpp"

class mpiSimulation{
public:

  mpiSimulation(SimInfo* the_entryPlug);
  ~mpiSimulation();
  
  int *divideLabor( void );
  
  int  getMyNode(void)           { return mpiPlug->myNode; }
  int  getNumberProcessors(void) { return mpiPlug->numberProcessors; }
  int  getMyNMol( void )         { return mpiPlug->myNMol; }
  int  getMyNlocal( void )       { return mpiPlug->myNlocal; }
  int  getTotAtoms( void )       { return mpiPlug->nAtomsGlobal; }
  int  getTotNmol( void )        { return mpiPlug->nMolGlobal; }
  int* getAtomToProcMap( void )  { return AtomToProcMap; }
  int* getMolToProcMap( void )   { return MolToProcMap; }
  int* getMolComponentType(void) { return MolComponentType; }
   
  // sets the internal function pointer to fortran.

  void setInternal( void (*fSetup) setFortranMPIlist ){
    setFsimParallel = fSetup;
  }


  // call at the begining and after load balancing
  
  void mpiRefresh( void );

protected:
  SimInfo* entryPlug;
  mpiSimData* mpiPlug;
  int *MolToProcMap;
  int *MolComponentType;
  int *AtomToProcMap;
  int *AtomType;

  // private function to initialize the fortran side of the simulation
  void (*setFsimParallel) setFortranMPIlist;

  // int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is.

};


/**
   The following pointer is the global declaration of the mpiSim
   object created when the mpiSimulation creation routine is
   called. Every one who includes the header file will then have
   access to all of the routines in mpiSimulation class. 
*/ 

extern mpiSimulation* mpiSim;

#endif
Revision:	422
Committed:	Thu Mar 27 19:21:42 2003 UTC (21 years, 3 months ago) by mmeineke
File size:	1751 byte(s)
Log Message:	finished updating SimSetup to initialize and use the new MPI division of labour, and Molecule class
#	User	Rev	Content
1	mmeineke	377	#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	gezelter	405	int getMyNMol( void ) { return mpiPlug->myNMol; }
22	mmeineke	377	int getMyNlocal( void ) { return mpiPlug->myNlocal; }
23			int getTotAtoms( void ) { return mpiPlug->nAtomsGlobal; }
24	mmeineke	422	int getTotNmol( void ) { return mpiPlug->nMolGlobal; }
25	gezelter	419	int* getAtomToProcMap( void ) { return AtomToProcMap; }
26	mmeineke	422	int* getMolToProcMap( void ) { return MolToProcMap; }
27			int* getMolComponentType(void) { return MolComponentType; }
28
29	mmeineke	377	// 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	gezelter	405	int *MolToProcMap;
44			int *MolComponentType;
45			int *AtomToProcMap;
46			int *AtomType;
47
48	mmeineke	377	// 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