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root/group/trunk/mdtools/headers/mpiSimulation.hpp
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Comparing trunk/mdtools/headers/mpiSimulation.hpp (file contents):
Revision 215 by chuckv, Thu Dec 19 21:59:51 2002 UTC vs.
Revision 253 by chuckv, Thu Jan 30 15:20:21 2003 UTC

# Line 13 | Line 13 | class mpiSimulation{ (public)
13    mpiSimulation(SimInfo* the_entryPlug);
14    ~mpiSimulation();
15    
16 <  void divideLabor( void );
16 >  int *divideLabor( void );
17    
18 <  int  getMyNode(void)        { return myNode; }
19 <  int  getMyMolStart( void )  { return myMolStart; }
20 <  int  getMyMolEnd( void )    { return myMlEnd; }
21 <  int  getMyMol( void )       { return myMol; }
22 <  int  getMyAtomStart( void ) { return myAtomStart; }
23 <  int  getMyAtomEnd( void )   { return myAtomEnd; }
24 <  int  getMyNlocal( void )    { return myNlocal; }
25 <
26 <  int getTotAtoms( void )     { return simTotAtoms; }
18 >  int  getMyNode(void)           { return mpiPlug->myNode; }
19 >  int  getNumberProcessors(void) { return mpiPlug->numberProcessors; }
20 >  int  getMyMolStart( void )     { return mpiPlug->myMolStart; }
21 >  int  getMyMolEnd( void )       { return mpiPlug->myMolEnd; }
22 >  int  getMyMol( void )          { return mpiPlug->myMol; }
23 >  int  getMyAtomStart( void )    { return mpiPlug->myAtomStart; }
24 >  int  getMyAtomEnd( void )      { return mpiPlug->myAtomEnd; }
25 >  int  getMyNlocal( void )       { return mpiPlug->myNlocal; }
26 >  int  getTotAtoms( void )       { return mpiPlug->nAtomsGlobal; }
27    
28  
29 < private:
29 >  // sets the internal function pointer to fortran.
30  
31 +  void setInternal( void (*fSetup)( mpiSimData*, int*, int*, int*) ){
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  
44 +  // function to wrap the fortran function
45 +  void wrapMe();
46 +  
47 +  // private function to initialize the fortran side of the simulation
48 +  void (*setFsimParallel)(mpiSimData* the_mpiPlug, int *nLocal,
49 +                          int* globalIndex, int* isError );
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

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