210 lines
7.2 KiB
C++
210 lines
7.2 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef LMP_GRIDCOMM_H
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#define LMP_GRIDCOMM_H
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#include "pointers.h"
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namespace LAMMPS_NS {
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class GridComm : protected Pointers {
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public:
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GridComm(class LAMMPS *, MPI_Comm, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int);
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GridComm(class LAMMPS *, MPI_Comm, int, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int);
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virtual ~GridComm();
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void setup(int &, int &);
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int ghost_adjacent();
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void forward_comm_kspace(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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void reverse_comm_kspace(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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protected:
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int me,nprocs;
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int layout; // REGULAR or TILED
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MPI_Comm gridcomm; // communicator for this class
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// usually world, but MSM calls with subset
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// inputs from caller via constructor
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int nx,ny,nz; // size of global grid in all 3 dims
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int inxlo,inxhi; // inclusive extent of my grid chunk
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int inylo,inyhi; // 0 <= in <= N-1
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int inzlo,inzhi;
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int outxlo,outxhi; // inclusive extent of my grid chunk plus
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int outylo,outyhi; // ghost cells in all 6 directions
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int outzlo,outzhi; // lo indices can be < 0, hi indices can be >= N
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int fullxlo,fullxhi; // extent of grid chunk that caller stores
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int fullylo,fullyhi; // can be same as out indices or larger
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int fullzlo,fullzhi;
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// -------------------------------------------
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// internal variables for REGULAR layout
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// -------------------------------------------
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int procxlo,procxhi; // 6 neighbor procs that adjoin me
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int procylo,procyhi; // not used for comm_style = tiled
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int proczlo,proczhi;
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int ghostxlo,ghostxhi; // # of my owned grid planes needed
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int ghostylo,ghostyhi; // by neighobr procs in each dir as their ghost planes
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int ghostzlo,ghostzhi;
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// swap = exchange of owned and ghost grid cells between 2 procs, including self
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struct Swap {
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int sendproc; // proc to send to for forward comm
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int recvproc; // proc to recv from for forward comm
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int npack; // # of datums to pack
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int nunpack; // # of datums to unpack
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int *packlist; // 3d array offsets to pack
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int *unpacklist; // 3d array offsets to unpack
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};
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int nswap,maxswap;
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Swap *swap;
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// -------------------------------------------
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// internal variables for TILED layout
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// -------------------------------------------
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int *overlap_procs; // length of Nprocs in communicator
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MPI_Request *requests; // length of max messages this proc receives
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// RCB tree of cut info
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// each proc contributes one value, except proc 0
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struct RCBinfo {
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int dim; // 0,1,2 = which dim the cut is in
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int cut; // grid index of lowest cell in upper half of cut
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};
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RCBinfo *rcbinfo;
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// overlap = a proc whose owned cells overlap with my extended ghost box
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// includes overlaps across periodic boundaries, can also be self
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struct Overlap {
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int proc; // proc whose owned cells overlap my ghost cells
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int box[6]; // box that overlaps otherproc's owned cells
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// this box is wholly contained within global grid
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int pbc[3]; // PBC offsets to convert box to a portion of my ghost box
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// my ghost box may extend beyond global grid
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};
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int noverlap,maxoverlap;
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Overlap *overlap;
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// request = sent to each proc whose owned cells overlap my ghost cells
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struct Request {
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int sender; // sending proc
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int index; // index of overlap on sender
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int box[6]; // box that overlaps receiver's owned cells
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// wholly contained within global grid
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};
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Request *srequest,*rrequest;
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// response = reply from each proc whose owned cells overlap my ghost cells
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struct Response {
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int index; // index of my overlap for the initial request
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int box[6]; // box that overlaps responder's owned cells
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// wholly contained within global grid
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// has to unwrapped by PBC to map to my ghost cells
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};
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Response *sresponse,*rresponse;
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// send = proc to send a subset of my owned cells to, for forward comm
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// for reverse comm, proc I receive ghost overlaps with my owned cells from
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// offset used in reverse comm to recv a message in middle of a large buffer
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struct Send {
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int proc;
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int npack;
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int *packlist;
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int offset;
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};
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// recv = proc to recv a subset of my ghost cells from, for forward comm
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// for reverse comm, proc I send a subset of my ghost cells to
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// offset used in forward comm to recv a message in middle of a large buffer
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struct Recv {
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int proc;
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int nunpack;
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int *unpacklist;
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int offset;
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};
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int adjacent; // 0 on a proc who receives ghosts from a non-neighbor proc
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// copy = subset of my owned cells to copy into subset of my ghost cells
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// that describes forward comm, for reverse comm it is the opposite
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struct Copy {
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int npack;
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int nunpack;
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int *packlist;
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int *unpacklist;
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};
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int nsend,nrecv,ncopy;
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Send *send;
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Recv *recv;
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Copy *copy;
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// -------------------------------------------
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// internal methods
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// -------------------------------------------
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void initialize(MPI_Comm, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int);
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virtual void setup_regular(int &, int &);
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virtual void setup_tiled(int &, int &);
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void ghost_box_drop(int *, int *);
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void box_drop_grid(int *, int, int, int &, int *);
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int ghost_adjacent_regular();
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int ghost_adjacent_tiled();
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void forward_comm_kspace_regular(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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void forward_comm_kspace_tiled(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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void reverse_comm_kspace_regular(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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void reverse_comm_kspace_tiled(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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virtual void grow_swap();
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void grow_overlap();
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int indices(int *&, int, int, int, int, int, int);
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};
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}
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#endif
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