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#ifndef __MPISIMULATION__ |
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#define __MPISIMULATION__ |
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#include "SimInfo.hpp" |
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#include "MakeStamps.hpp" |
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#define __C |
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#include "mpiComponentPlan.h" |
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#include "fortranWrapDefines.hpp" |
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class mpiSimulation{ |
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public: |
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mpiSimulation(SimInfo* the_entryPlug); |
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~mpiSimulation(); |
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void divideLabor(); |
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int getMyNode(void) { return mpiPlug->myNode; } |
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int getNumberProcessors(void) { return mpiPlug->numberProcessors; } |
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int getMyNMol( void ) { return mpiPlug->myNMol; } |
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int getMyNlocal( void ) { return mpiPlug->myNlocal; } |
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int getTotAtoms( void ) { return mpiPlug->nAtomsGlobal; } |
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int getTotNmol( void ) { return mpiPlug->nMolGlobal; } |
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int* getAtomToProcMap( void ) { return AtomToProcMap; } |
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int* getMolToProcMap( void ) { return MolToProcMap; } |
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int* getMolComponentType(void) { return MolComponentType; } |
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vector<int> getGlobalAtomIndex(void) {return globalAtomIndex; } |
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vector<int> getGlobalMolIndex(void) {return globalMolIndex;} |
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int getGlobalToLocalMol(int globalIndex) {return globalToLocalMol[globalIndex];} |
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int getGlobalToLocalAtom(int globalIndex) {return globalToLocalAtom[globalIndex];} |
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//void globalToLocalMol(int globalIndex, int& whichNode, int& localIndex); |
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//void globalToLocalAtom(int globalIndex, int& whichNode, int& localIndex); |
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// sets the internal function pointer to fortran. |
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void setInternal( setFortranMPI_TD fSetup){ |
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setFsimParallel = fSetup; |
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} |
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// call at the begining and after load balancing |
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void mpiRefresh( void ); |
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protected: |
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SimInfo* entryPlug; |
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mpiSimData* mpiPlug; |
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int *MolToProcMap; |
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int *MolComponentType; |
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int *AtomToProcMap; |
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int *AtomType; |
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vector<int> globalAtomIndex; |
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vector<int> globalMolIndex; |
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vector<int> globalToLocalMol; |
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vector<int> globalToLocalAtom; |
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// private function to initialize the fortran side of the simulation |
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setFortranMPI_TD setFsimParallel; |
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// int *myIdents; // is needed by Cpp only. It tells the molecule which stamp it is. |
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}; |
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/** |
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The following pointer is the global declaration of the mpiSim |
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object created when the mpiSimulation creation routine is |
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called. Every one who includes the header file will then have |
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access to all of the routines in mpiSimulation class. |
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*/ |
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extern mpiSimulation* mpiSim; |
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#endif |
