domainpaircomm.h File Reference

#include <vector>
#include "gromacs/nbnxm/grid.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/defaultinitializationallocator.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/gmxmpi.h"
#include "gromacs/utility/vectypes.h"

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Description

Declares classes for communication between domain pairs in the halo.

The DomainPairComm class is a holder for an object of type DomainPairCommBackward and an object of type DomainPairCommForward. The backward object is used to send coordinates backward along the DD grid and receive forces from the same rank/domain the coordinates were sent to. The forward object is used for receiving the coordinates and sending the forces in the other direction. Both objects couple to a ranks/domains with the same displacement vector in DD-grid coordinates but with opposite sign.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes
struct	gmx::ZoneCorners
	The upper corners of a zone, used for computing which halo clusters need to be sent. More...
class	gmx::DomainCommBackward
	Setup for selecting halo atoms to be sent and sending coordinates to another domain. More...
struct	gmx::DomainCommBackward::GridClusterRange
	Struct for storing a cluster range for a grid column. More...
class	gmx::DomainCommForward
	Setup for receiving halo coordinates from another domain and sending halo forces. More...
class	gmx::DomainPairComm
	Setup for communication between pairs of domains, both backward and forward along the DD grid. More...

Enumerations
enum	gmx::HaloMpiTag {   gmx::HaloMpiTag::X, gmx::HaloMpiTag::F, gmx::HaloMpiTag::ZoneCorners, GridCounts,   gmx::HaloMpiTag::GridColumns, gmx::HaloMpiTag::GridDimensions, gmx::HaloMpiTag::AtomIndices }
	MPI tags for non-blocking x and f communication. More...