MultiSource/Benchmarks/DOE-ProxyApps-C/CoMD/haloExchange.h

/// \file
/// Communicate halo data such as "ghost" atoms with neighboring tasks.

#ifndef __HALO_EXCHANGE_
#define __HALO_EXCHANGE_

#include "mytype.h"
struct AtomsSt;
struct LinkCellSt;
struct DomainSt;

/// A polymorphic structure to store information about a halo exchange.
/// This structure can be thought of as an abstract base class that
/// specifies the interface and implements the communication patterns of
/// a halo exchange.  Concrete sub-classes supply actual implementations
/// of the loadBuffer, unloadBuffer, and destroy functions, that are
/// specific to the actual data being exchanged.  If the subclass needs
/// additional data members, these can be stored in a structure that is
/// pointed to by parms.
///
/// Designing the structure this way allows us to re-use the
/// communication code for both atom data and partial force data.
///
/// \see eamForce
/// \see redistributeAtoms
typedef struct HaloExchangeSt
{
   /// The MPI ranks of the six face neighbors of the local domain.
   /// Ranks are stored in the order specified in HaloFaceOrder.
   int nbrRank[6];
   /// The maximum send/recv buffer size (in bytes) that will be needed
   /// for this halo exchange.
   int bufCapacity;
   /// Pointer to a sub-class specific function to load the send buffer.
   /// \param [in] parms The parms member of the structure.  This is a
   ///                   pointer to a sub-class specific structure that can
   ///                   be used by the load and unload functions to store
   ///                   sub-class specific data.
   /// \param [in] data  A pointer to a structure that the contains the data
   ///                   that is needed by the loadBuffer function.  The
   ///                   loadBuffer function will cast the pointer to a
   ///                   concrete type that is appropriate for the data
   ///                   being exchanged.
   /// \param [in] face  Specifies the face across which data is being sent.
   /// \param [in] buf   The send buffer to be loaded
   /// \return The number of bytes loaded into the send buffer.
   int  (*loadBuffer)(void* parms, void* data, int face, char* buf);
   /// Pointer to a sub-class specific function to unload the recv buffer.
   /// \param [in] parms The parms member of the structure.  This is a
   ///                   pointer to a sub-class specific structure that can
   ///                   be used by the load and unload functions to store
   ///                   sub-class specific data.
   /// \param [out] data A pointer to a structure that the contains the data
   ///                   that is needed by the unloadBuffer function.  The
   ///                   unloadBuffer function will cast the pointer to a
   ///                   concrete type that is appropriate for the data
   ///                   being exchanged.
   /// \param [in] face  Specifies the face across which data is being sent.
   /// \param [in] bufSize The number of bytes in the recv buffer.
   /// \param [in] buf   The recv buffer to be unloaded.
   void (*unloadBuffer)(void* parms, void* data, int face, int bufSize, char* buf);
   /// Pointer to a function to deallocate any memory used by the
   /// sub-class parms.  Essentially this is a virtual destructor.
   void (*destroy)(void* parms);
   /// A pointer to a sub-class specific structure that contains
   /// additional data members needed by the sub-class.
   void* parms;
} 
HaloExchange;

/// Create a HaloExchange for atom data.
HaloExchange* initAtomHaloExchange(struct DomainSt* domain, struct LinkCellSt* boxes);

/// Create a HaloExchange for force data.
HaloExchange* initForceHaloExchange(struct DomainSt* domain, struct LinkCellSt* boxes);

/// HaloExchange destructor.
void destroyHaloExchange(HaloExchange** haloExchange);

/// Execute a halo exchange.
void haloExchange(HaloExchange* haloExchange, void* data);

/// Sort the atoms by gid in the specified link cell.
void sortAtomsInCell(struct AtomsSt* atoms, struct LinkCellSt* boxes, int iBox);

#endif