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root/OpenMD/branches/devel_omp/src/parallel/ForceMatrixDecomposition.hpp
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Comparing:
branches/development/src/parallel/ForceMatrixDecomposition.hpp (file contents), Revision 1593 by gezelter, Fri Jul 15 21:35:14 2011 UTC vs.
branches/devel_omp/src/parallel/ForceMatrixDecomposition.hpp (file contents), Revision 1608 by mciznick, Tue Aug 9 01:58:56 2011 UTC

# Line 66 | Line 66 | namespace OpenMD {
66  
67      // neighbor list routines
68      vector<pair<int, int> >  buildNeighborList();
69 +    // neighbor list routines based on Rapaport
70 +    vector<vector<CutoffGroup *> > buildLayerBasedNeighborList();
71  
72      // group bookkeeping
73      groupCutoffs getGroupCutoffs(int cg1, int cg2);
# Line 80 | Line 82 | namespace OpenMD {
82  
83      // spatial data
84      Vector3d getIntergroupVector(int cg1, int cg2);
85 +    Vector3d getIntergroupVector(CutoffGroup *cg1, CutoffGroup *cg2);
86      Vector3d getInteratomicVector(int atom1, int atom2);
87        
88      // atom bookkeeping
# Line 91 | Line 94 | namespace OpenMD {
94      void addForceToAtomRow(int atom1, Vector3d fg);
95      void addForceToAtomColumn(int atom2, Vector3d fg);
96  
97 +    void addForceToAtomRowOMP(int atom1, Vector3d fg);
98 +    void addForceToAtomColumnOMP(int atom2, Vector3d fg);
99 +
100      // filling interaction blocks with pointers
101      void fillInteractionData(InteractionData &idat, int atom1, int atom2);
102 +    void fillInteractionDataOMP(InteractionDataPrv &idat, int atom1, int atom2);
103      void unpackInteractionData(InteractionData &idat, int atom1, int atom2);
104  
105 +    void unpackInteractionDataOMP(InteractionDataPrv &idat, int atom1, int atom2);
106 +
107 +    // memory reordering
108 +    void reorderGroupCutoffs(vector<int> &order);
109 +    void reorderPosition(vector<int> &order);
110 +    void reorderGroupList(vector<int> &order);
111 +    void reorderMemory(vector<vector<CutoffGroup *> > &H_c_l);
112 +
113    private:
114      void createGtypeCutoffMap();
115  
# Line 105 | Line 120 | namespace OpenMD {
120      vector<RealType> groupCutoff;
121      vector<int> groupToGtype;
122  
123 +    /* XXX */
124 +    int neighborListReorderFreq;
125 +    int reorderFreqCounter;
126 +
127   #ifdef IS_MPI    
128      DataStorage atomRowData;
129      DataStorage atomColData;

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