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* getAtomToProcMap( void )  { return AtomToProcMap; }

  // 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:	419
Committed:	Thu Mar 27 15:07:29 2003 UTC (21 years, 3 months ago) by gezelter
File size:	1563 byte(s)
Log Message:	fixes for local->global atom numbering in MPI
#	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	gezelter	419	int* getAtomToProcMap( void ) { return AtomToProcMap; }
25	mmeineke	377
26			// sets the internal function pointer to fortran.
27
28			void setInternal( void (*fSetup) setFortranMPIlist ){
29			setFsimParallel = fSetup;
30			}
31
32
33			// call at the begining and after load balancing
34
35			void mpiRefresh( void );
36
37			protected:
38			SimInfo* entryPlug;
39			mpiSimData* mpiPlug;
40	gezelter	405	int *MolToProcMap;
41			int *MolComponentType;
42			int *AtomToProcMap;
43			int *AtomType;
44
45	mmeineke	377	// private function to initialize the fortran side of the simulation
46			void (*setFsimParallel) setFortranMPIlist;
47
48			// int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is.
49
50			};
51
52
53			/**
54			The following pointer is the global declaration of the mpiSim
55			object created when the mpiSimulation creation routine is
56			called. Every one who includes the header file will then have
57			access to all of the routines in mpiSimulation class.
58			*/
59
60			extern mpiSimulation* mpiSim;
61
62			#endif