src/parallel/Parallel.hpp


#ifndef PARALLEL_PARALLEL_HPP
#define PARALLEL_PARALLEL_HPP
#include <vector>
#include <string>

//#include <protomol/type/Real.h>
//#include <protomol/parallel/ParallelType.h>

namespace OpenMD {
  class ScalarStructure;
  class Vector3DBlock;
  class GenericTopology;

  //____ Parallel
  class Parallel  {

    //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
    // Constructors, destructors, assignment
    //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  private:
    Parallel();
    ~Parallel();
    Parallel(const Parallel &) {}

    Parallel &operator=(const Parallel &) {return *this;}

  public:
    static void init(int &argc, char ** &argv); ///< MPI_Init and sets id and
                                                ///< number of process.
    static void finalize();                     ///< MPI_Finialize.

    static bool initialized()          {return myInitialized;}

    static bool finalized()            {return myFinalized;}

    static bool ok()                   {return myInitialized && !myFinalized;}

    static int getId()                {return myId;}

    static int getMasterId()          {return myMasterId;}

    static int getNum()               {return myNum;}

    static int getAvailableId()       {return myAvailableId;}

    static int getAvailableNum()      {return myAvailableNum;}

    static bool isParallel()           {return myIsParallel;}

    static bool iAmMaster()            {return myIAmMaster;}

    static bool iAmSlave()             {return myIAmSlave;}


  public:

    /**
     * Broadcast a Vector3DBlock from the master to the rest.
     * Handles also the case if the receiving nodes have an emty
     * (other size) Vector3DBlock.
     */
    static void bcast(Vector3DBlock *coords);
    static void bcast(int &n);

    /**
     * Does the preprocessing, clearing the energies and forces for
     * all nodes except the master.
     */
    static void distribute(ScalarStructure *energy, Vector3DBlock *coords);

    /**
     * Does a reduction and a broadcast, such that all
     * nodes have the correct summed energies and forces locally.
     */
    static void reduce(ScalarStructure *energy, Vector3DBlock *coords);

    /// Takes care of sending a Vector3DBlock to a single node.
    static void send(Vector3DBlock *vect, int address);

    /// Recieves a Vector3DBlock from a node.
    static void recv(Vector3DBlock *vect, int address);

    /// Sends a Vector3DBlock, to one node, and overwrites it with one recieved
    /// from another node
    static void sendrecv_replace(Vector3DBlock *Vect, int sendaddr,
                                 int recvaddr);

    /// Sends a Real (or array of Reals) from one node to another
    static void send(RealType *data, int num, int address);

    /// Recieves a Real (or array of Reals) from another node
    static void recv(RealType *data, int num, int address);

    /// Sends one real and receives another real from one or two nodes (sends
    ///  to one, recieves to the other)
    static void sendrecv(Real *senddata, int sendnum, int sendaddr,
                         Real *recvdata, int recvnum,
                         int recvaddr);

    /// Sends a Real (or array of Reals) to one node and overwrites it with
    ///  data from another node.
    static void sendrecv_replace(Real *data, int num, int sendaddr,
                                 int recvaddr);

    /// Gathers a vector of Reals from the compute nodes and stores it in an
    /// array.
    static void gather(Real *data, int num, Real *data_array, int address);

    /// Gathers a vector of Reals from the compute nodes and stores it in an
    /// array, distributed to all the nodes.
    static void allgather(Real *data, int num, Real *data_array);

    // Partitioning
  public:
    /// Returns the number of packages over all forces.
    static unsigned int getNumberOfPackages(unsigned int n);

  public:
    /// true if the actual work package should computed, false skip it
    static bool next();

    static void resetNext() {myNext = 0; myNextRange[0] = 0; myNextRange[1] = 0;
                             myWorkState = getWorkState();}

    static void resetNext(const std::vector<int> &blocks);

  public:
    /// Disables MPI on the current node
    static void isolateNode();

    /// Enables MPI on the current node
    static void integrateNode();

  private:
    static void kill();
    static Parallel &instance();
    static bool ok(const std::string &err);
    static WorkState getWorkState();
    static void nextMaster();

    //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
    // My data members
    //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  public:
    static const bool isMPI;
  private:
    static bool myInitialized;   ///< If Parallel is initialized
    static bool myFinalized;     // /<If Parallel is finalized
    static int myId;            ///< Actual id of the node, [0,1,...,N-1]
    static int myMasterId;      ///< Id of the master
    static int myNum;           ///< Number of nodes, N
    static int myAvailableId;   ///< Actual master-slave id, -1 for the master
    static int myAvailableNum;  ///< Available number of nodes for computation
    static bool myIsParallel;    ///< If environment has more that 1 node
    static bool myIAmMaster;     ///< If this node is master
    static bool myIAmSlave;      ///< If this node is slave/worker
    static ParallelType myMode;          ///< Parallelization scheme
    static WorkState myWorkState;     ///< Actual work state

    static int myPipeSize;      ///< Number of add. work packages to push to
                                ///< slaves
    static bool myUseBarrier;    ///< Flag to signal usage of MPI_Barrier
    static int myMaxPackages;   ///< Number of max. packages per node per force

    static int *myBuffer;        ///< Bsend buffer
    static int myNext;          ///< Counter of next() calls
    static int myNextRange[2];  ///< Actual work package to work on [from,to]
    static std::vector<int> myDone;          ///< Master, keeps track of slave
                                             ///< have got already their work
    static std::vector<int> myBlockList;     ///< List of of the force
                                             ///< partitioning

    static int myRecv;          ///< Number of outstanding receives
    static int myI;             ///< Index of the actual work package (only
                                ///< master)
    static int myP;             ///< Node number

    static Parallel *obj;             ///< Instance

    static bool myIsolated;      ///< Saves isolation state
    static int myOldId;         ///< Saves processor id when switching MPI off
    static int myOldNum;        ///< Saves number of processors when switching
                                ///< MPI off
    static ParallelType myOldMode;  ///< Saves parallelization scheme when
                                    ///< switching MPI off
  };
  //____ INLINES
}
#endif /* PARAMETER_H */
Revision:	1538
Committed:	Tue Jan 11 18:58:12 2011 UTC (14 years, 3 months ago) by chuckv
File size:	7105 byte(s)
Log Message:	Adding parallel classes...
#	User	Rev	Content
1	chuckv	1538
2			#ifndef PARALLEL_PARALLEL_HPP
3			#define PARALLEL_PARALLEL_HPP
4			#include <vector>
5			#include <string>
6
7			//#include <protomol/type/Real.h>
8			//#include <protomol/parallel/ParallelType.h>
9
10			namespace OpenMD {
11			class ScalarStructure;
12			class Vector3DBlock;
13			class GenericTopology;
14
15			//____ Parallel
16			class Parallel {
17
18			//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
19			// Constructors, destructors, assignment
20			//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
21			private:
22			Parallel();
23			~Parallel();
24			Parallel(const Parallel &) {}
25
26			Parallel &operator=(const Parallel &) {return *this;}
27
28			public:
29			static void init(int &argc, char ** &argv); ///< MPI_Init and sets id and
30			///< number of process.
31			static void finalize(); ///< MPI_Finialize.
32
33			static bool initialized() {return myInitialized;}
34
35			static bool finalized() {return myFinalized;}
36
37			static bool ok() {return myInitialized && !myFinalized;}
38
39			static int getId() {return myId;}
40
41			static int getMasterId() {return myMasterId;}
42
43			static int getNum() {return myNum;}
44
45			static int getAvailableId() {return myAvailableId;}
46
47			static int getAvailableNum() {return myAvailableNum;}
48
49			static bool isParallel() {return myIsParallel;}
50
51			static bool iAmMaster() {return myIAmMaster;}
52
53			static bool iAmSlave() {return myIAmSlave;}
54
55
56			public:
57
58			/**
59			* Broadcast a Vector3DBlock from the master to the rest.
60			* Handles also the case if the receiving nodes have an emty
61			* (other size) Vector3DBlock.
62			*/
63			static void bcast(Vector3DBlock *coords);
64			static void bcast(int &n);
65
66			/**
67			* Does the preprocessing, clearing the energies and forces for
68			* all nodes except the master.
69			*/
70			static void distribute(ScalarStructure energy, Vector3DBlock coords);
71
72			/**
73			* Does a reduction and a broadcast, such that all
74			* nodes have the correct summed energies and forces locally.
75			*/
76			static void reduce(ScalarStructure energy, Vector3DBlock coords);
77
78			/// Takes care of sending a Vector3DBlock to a single node.
79			static void send(Vector3DBlock *vect, int address);
80
81			/// Recieves a Vector3DBlock from a node.
82			static void recv(Vector3DBlock *vect, int address);
83
84			/// Sends a Vector3DBlock, to one node, and overwrites it with one recieved
85			/// from another node
86			static void sendrecv_replace(Vector3DBlock *Vect, int sendaddr,
87			int recvaddr);
88
89			/// Sends a Real (or array of Reals) from one node to another
90			static void send(RealType *data, int num, int address);
91
92			/// Recieves a Real (or array of Reals) from another node
93			static void recv(RealType *data, int num, int address);
94
95			/// Sends one real and receives another real from one or two nodes (sends
96			/// to one, recieves to the other)
97			static void sendrecv(Real *senddata, int sendnum, int sendaddr,
98			Real *recvdata, int recvnum,
99			int recvaddr);
100
101			/// Sends a Real (or array of Reals) to one node and overwrites it with
102			/// data from another node.
103			static void sendrecv_replace(Real *data, int num, int sendaddr,
104			int recvaddr);
105
106			/// Gathers a vector of Reals from the compute nodes and stores it in an
107			/// array.
108			static void gather(Real data, int num, Real data_array, int address);
109
110			/// Gathers a vector of Reals from the compute nodes and stores it in an
111			/// array, distributed to all the nodes.
112			static void allgather(Real data, int num, Real data_array);
113
114			// Partitioning
115			public:
116			/// Returns the number of packages over all forces.
117			static unsigned int getNumberOfPackages(unsigned int n);
118
119			public:
120			/// true if the actual work package should computed, false skip it
121			static bool next();
122
123			static void resetNext() {myNext = 0; myNextRange[0] = 0; myNextRange[1] = 0;
124			myWorkState = getWorkState();}
125
126			static void resetNext(const std::vector<int> &blocks);
127
128			public:
129			/// Disables MPI on the current node
130			static void isolateNode();
131
132			/// Enables MPI on the current node
133			static void integrateNode();
134
135			private:
136			static void kill();
137			static Parallel &instance();
138			static bool ok(const std::string &err);
139			static WorkState getWorkState();
140			static void nextMaster();
141
142			//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
143			// My data members
144			//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
145			public:
146			static const bool isMPI;
147			private:
148			static bool myInitialized; ///< If Parallel is initialized
149			static bool myFinalized; // /<If Parallel is finalized
150			static int myId; ///< Actual id of the node, [0,1,...,N-1]
151			static int myMasterId; ///< Id of the master
152			static int myNum; ///< Number of nodes, N
153			static int myAvailableId; ///< Actual master-slave id, -1 for the master
154			static int myAvailableNum; ///< Available number of nodes for computation
155			static bool myIsParallel; ///< If environment has more that 1 node
156			static bool myIAmMaster; ///< If this node is master
157			static bool myIAmSlave; ///< If this node is slave/worker
158			static ParallelType myMode; ///< Parallelization scheme
159			static WorkState myWorkState; ///< Actual work state
160
161			static int myPipeSize; ///< Number of add. work packages to push to
162			///< slaves
163			static bool myUseBarrier; ///< Flag to signal usage of MPI_Barrier
164			static int myMaxPackages; ///< Number of max. packages per node per force
165
166			static int *myBuffer; ///< Bsend buffer
167			static int myNext; ///< Counter of next() calls
168			static int myNextRange[2]; ///< Actual work package to work on [from,to]
169			static std::vector<int> myDone; ///< Master, keeps track of slave
170			///< have got already their work
171			static std::vector<int> myBlockList; ///< List of of the force
172			///< partitioning
173
174			static int myRecv; ///< Number of outstanding receives
175			static int myI; ///< Index of the actual work package (only
176			///< master)
177			static int myP; ///< Node number
178
179			static Parallel *obj; ///< Instance
180
181			static bool myIsolated; ///< Saves isolation state
182			static int myOldId; ///< Saves processor id when switching MPI off
183			static int myOldNum; ///< Saves number of processors when switching
184			///< MPI off
185			static ParallelType myOldMode; ///< Saves parallelization scheme when
186			///< switching MPI off
187			};
188			//____ INLINES
189			}
190			#endif /* PARAMETER_H */