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gezelter |
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#ifndef __MPISIMULATION__ |
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#define __MPISIMULATION__ |
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tim |
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#include "brains/SimInfo.hpp" |
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#include "types/MakeStamps.hpp" |
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gezelter |
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#define __C |
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tim |
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#include "UseTheForce/mpiComponentPlan.h" |
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gezelter |
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tim |
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#include "UseTheForce/fortranWrapDefines.hpp" |
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gezelter |
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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 parallelData->myNode; } |
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int getNProcessors( void ) { return parallelData->nProcessors; } |
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int getNMolLocal( void ) { return parallelData->nMolLocal; } |
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int getNMolGlobal( void ) { return parallelData->nMolGlobal; } |
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int getNAtomsLocal( void ) { return parallelData->nAtomsLocal; } |
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int getNAtomsGlobal( void ) { return parallelData->nAtomsGlobal; } |
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int getNGroupsLocal( void ) { return parallelData->nGroupsLocal; } |
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int getNGroupsGlobal( void ) { return parallelData->nGroupsGlobal; } |
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int* getAtomToProcMap( void ) { return AtomToProcMap; } |
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int* getGroupToProcMap( void ) { return GroupToProcMap; } |
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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> getGlobalGroupIndex(void) {return globalGroupIndex; } |
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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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int getGlobalToLocalGroup(int globalIndex) {return globalToLocalGroup[globalIndex];} |
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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* parallelData; |
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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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int *GroupToProcMap; |
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vector<int> globalAtomIndex; |
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vector<int> globalMolIndex; |
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vector<int> globalGroupIndex; |
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vector<int> globalToLocalMol; |
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vector<int> globalToLocalAtom; |
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vector<int> globalToLocalGroup; |
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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 |
