177 lines
7.8 KiB
C++
177 lines
7.8 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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LAMMPS development team: developers@lammps.org
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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_COMM_H
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#define LMP_COMM_H
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#include "pointers.h" // IWYU pragma: export
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namespace LAMMPS_NS {
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class Comm : protected Pointers {
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public:
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enum { BRICK, TILED };
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int style; // BRICK = 6-way stencil communication
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// TILED = irregular tiling communication
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enum { LAYOUT_UNIFORM, LAYOUT_NONUNIFORM, LAYOUT_TILED };
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int layout; // LAYOUT_UNIFORM = equal-sized bricks
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// LAYOUT_NONUNIFORM = logical bricks, but diff sizes via LB
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// LAYOUT_TILED = general tiling, due to RCB LB
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enum { SINGLE, MULTI, MULTIOLD };
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int mode; // SINGLE = single cutoff
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// MULTI = multi-collection cutoff
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// MULTIOLD = multiold-type cutoff
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int me, nprocs; // proc info
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int ghost_velocity; // 1 if ghost atoms have velocity, 0 if not
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double cutghost[3]; // cutoffs used for acquiring ghost atoms
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double cutghostuser; // user-specified ghost cutoff (mode == SINGLE)
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double *cutusermulti; // per collection user ghost cutoff (mode == MULTI)
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double *cutusermultiold; // per type user ghost cutoff (mode == MULTIOLD)
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int ncollections; // # of collections known by comm, used to test if # has changed
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int ncollections_cutoff; // # of collections stored b cutoff/multi
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int recv_from_partition; // recv proc layout from this partition
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int send_to_partition; // send my proc layout to this partition
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// -1 if no recv or send
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int other_partition_style; // 0 = recv layout dims must be multiple of
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// my layout dims
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int nthreads; // OpenMP threads per MPI process
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// public settings specific to layout = UNIFORM, NONUNIFORM
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int procgrid[3]; // proc count assigned to each dim of 3d grid
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int user_procgrid[3]; // user request for proc counts in each dim
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int myloc[3]; // which proc I am in each dim, 0 to N-1
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int procneigh[3][2]; // my 6 neighboring procs, 0/1 = left/right
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double *xsplit, *ysplit, *zsplit; // fractional (0-1) sub-domain sizes, includes 0/1
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int ***grid2proc; // which proc owns i,j,k loc in 3d grid
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// public settings specific to layout = TILED
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int rcbnew; // 1 if just reset by rebalance, else 0
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double mysplit[3][2]; // fractional (0-1) bounds of my sub-domain
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double rcbcutfrac; // fractional RCB cut by this proc
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int rcbcutdim; // dimension of RCB cut
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// methods
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Comm(class LAMMPS *);
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~Comm() override;
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// NOTE: copy_arrays is called from a constructor and must not be made virtual
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void copy_arrays(class Comm *);
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virtual void init();
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void modify_params(int, char **);
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void set_processors(int, char **); // set 3d processor grid attributes
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virtual void set_proc_grid(int outflag = 1); // setup 3d grid of procs
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double get_comm_cutoff(); // determine communication cutoff
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virtual void setup() = 0; // setup 3d comm pattern
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virtual void forward_comm(int dummy = 0) = 0; // forward comm of atom coords
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virtual void reverse_comm() = 0; // reverse comm of forces
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virtual void exchange() = 0; // move atoms to new procs
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virtual void borders() = 0; // setup list of atoms to comm
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// forward/reverse comm from a Pair, Bond, Fix, Compute, Dump
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virtual void forward_comm(class Pair *, int size = 0) = 0;
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virtual void reverse_comm(class Pair *, int size = 0) = 0;
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virtual void forward_comm(class Bond *, int size = 0) = 0;
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virtual void reverse_comm(class Bond *, int size = 0) = 0;
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virtual void forward_comm(class Fix *, int size = 0) = 0;
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virtual void reverse_comm(class Fix *, int size = 0) = 0;
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virtual void reverse_comm_variable(class Fix *) = 0;
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virtual void forward_comm(class Compute *, int size = 0) = 0;
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virtual void reverse_comm(class Compute *, int size = 0) = 0;
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virtual void forward_comm(class Dump *, int size = 0) = 0;
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virtual void reverse_comm(class Dump *, int size = 0) = 0;
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// forward comm of an array
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virtual void forward_comm_array(int, double **) = 0;
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// map a point to a processor, based on current decomposition
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virtual void coord2proc_setup() {}
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virtual int coord2proc(double *, int &, int &, int &);
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// memory usage
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virtual double memory_usage() = 0;
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// non-virtual functions common to all Comm styles
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void ring(int, int, void *, int, void (*)(int, char *, void *), void *, void *, int self = 1);
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int rendezvous(int, int, char *, int, int, int *,
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int (*)(int, char *, int &, int *&, char *&, void *), int, char *&, int, void *,
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int statflag = 0);
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// extract data useful to other classes
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virtual void *extract(const char *, int &) { return nullptr; }
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protected:
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int bordergroup; // only communicate this group in borders
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int triclinic; // 0 if domain is orthog, 1 if triclinic
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int map_style; // non-0 if global->local mapping is done
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int comm_x_only, comm_f_only; // 1 if only exchange x,f in for/rev comm
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int size_forward; // # of per-atom datums in forward comm
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int size_reverse; // # of datums in reverse comm
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int size_border; // # of datums in forward border comm
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int maxforward, maxreverse; // max # of datums in forward/reverse comm
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int maxexchange; // max size of one exchanged atom
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int maxexchange_atom; // contribution to maxexchange from AtomVec
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int maxexchange_fix; // static contribution to maxexchange from Fixes
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int maxexchange_fix_dynamic; // 1 if a fix has a dynamic contribution
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int bufextra; // augment send buf size for an exchange atom
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int bufextra_max;
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int gridflag; // option for creating 3d grid
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int mapflag; // option for mapping procs to 3d grid
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char xyz[4]; // xyz mapping of procs to 3d grid
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char *customfile; // file with custom proc map
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char *outfile; // proc grid/map output file
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int numa_nodes; // Number of numa domains per socket for 3d grid
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int otherflag; // 1 if this partition dependent on another
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int other_style; // style of dependency
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int other_procgrid[3]; // proc layout of another partition
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int other_coregrid[3]; // core layout of another partition
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int ncores; // # of cores per node
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int coregrid[3]; // 3d grid of cores within a node
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int user_coregrid[3]; // user request for cores in each dim
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int multi_reduce; // 1 if multi cutoff is intra-collection cutoff
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void init_exchange();
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int rendezvous_irregular(int, char *, int, int, int *,
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int (*)(int, char *, int &, int *&, char *&, void *), int, char *&, int,
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void *, int);
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int rendezvous_all2all(int, char *, int, int, int *,
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int (*)(int, char *, int &, int *&, char *&, void *), int, char *&, int,
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void *, int);
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void rendezvous_stats(int, int, int, int, int, int, bigint);
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public:
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enum { MULTIPLE };
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};
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} // namespace LAMMPS_NS
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#endif
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