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comm_tiled.h
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rLAMMPS lammps
comm_tiled.h
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef LMP_COMM_TILED_H
#define LMP_COMM_TILED_H
#include "comm.h"
namespace LAMMPS_NS {
class CommTiled : public Comm {
public:
CommTiled(class LAMMPS *);
CommTiled(class LAMMPS *, class Comm *);
virtual ~CommTiled();
void init();
void setup(); // setup comm pattern
virtual void forward_comm(int dummy = 0); // forward comm of atom coords
virtual void reverse_comm(); // reverse comm of forces
virtual void exchange(); // move atoms to new procs
virtual void borders(); // setup list of atoms to comm
virtual void forward_comm_pair(class Pair *); // forward comm from a Pair
virtual void reverse_comm_pair(class Pair *); // reverse comm from a Pair
virtual void forward_comm_fix(class Fix *, int size=0);
// forward comm from a Fix
virtual void reverse_comm_fix(class Fix *, int size=0);
// reverse comm from a Fix
virtual void reverse_comm_fix_variable(class Fix *);
// variable size reverse comm from a Fix
virtual void forward_comm_compute(class Compute *); // forward from a Compute
virtual void reverse_comm_compute(class Compute *); // reverse from a Compute
virtual void forward_comm_dump(class Dump *); // forward comm from a Dump
virtual void reverse_comm_dump(class Dump *); // reverse comm from a Dump
virtual void forward_comm_array(int, double **); // forward comm of array
virtual int exchange_variable(int, double *, double *&); // exchange on neigh stencil
void coord2proc_setup();
int coord2proc(double *, int &, int &, int &);
bigint memory_usage();
private:
int nswap; // # of swaps to perform = 2*dim
// forward/reverse comm info, proc lists include self
int *nsendproc,*nrecvproc; // # of procs to send/recv to/from per swap
int *sendother,*recvother; // 1 if send/recv to/from other proc per swap
int *sendself; // 1 if send to self per swap
int *nprocmax; // current max # of send procs per swap
int **sendproc,**recvproc; // procs to send/recv to/from per swap
int **sendnum,**recvnum; // # of atoms to send/recv per swap/proc
int **size_forward_recv; // # of values to recv in each forward swap/proc
int **firstrecv; // where to put 1st recv atom per swap/proc
int **size_reverse_send; // # of values to send in each reverse swap/proc
int **size_reverse_recv; // # of values to recv in each reverse swap/proc
int **forward_recv_offset; // forward comm offsets in buf_recv per swap/proc
int **reverse_recv_offset; // reverse comm offsets in buf_recv per swap/proc
int ***sendlist; // list of atoms to send per swap/proc
int **maxsendlist; // max size of send list per swap/proc
int **pbc_flag; // general flag for sending atoms thru PBC
int ***pbc; // dimension flags for PBC adjustments
double ***sendbox; // bounding box of atoms to send per swap/proc
// exchange comm info, proc lists do not include self
int *nexchproc; // # of procs to send/recv to/from in each dim
int *nexchprocmax; // current max # of exch procs for each dim
int **exchproc; // procs to exchange with per dim
int **exchnum; // # of values received per dim/proc
double *buf_send; // send buffer for all comm
double *buf_recv; // recv buffer for all comm
int maxsend,maxrecv; // current size of send/recv buffer
int bufextra; // extra space beyond maxsend in send buffer
int smaxone,rmaxone; // max size in atoms of single borders send/recv
int smaxall,rmaxall; // max size in atoms of any borders send/recv
// for comm to all procs in one swap
int maxreqstat; // max size of Request and Status vectors
MPI_Request *requests;
struct RCBinfo {
double mysplit[3][2]; // fractional RCB bounding box for one proc
double cutfrac; // fractional position of cut this proc owns
int dim; // dimension = 0/1/2 of cut
};
RCBinfo *rcbinfo; // list of RCB info for all procs
int noverlap; // # of overlapping procs
int maxoverlap; // current max length of overlap
int *overlap; // list of overlapping procs
double *prd; // local ptrs to Domain attributes
double *boxlo,*boxhi;
double *sublo,*subhi;
int dimension;
// NOTE: init_buffers is called from a constructor and must not be made virtual
void init_buffers();
// box drop and other functions
typedef void (CommTiled::*BoxDropPtr)(int, double *, double *, int &);
BoxDropPtr box_drop;
void box_drop_brick(int, double *, double *, int &);
void box_drop_tiled(int, double *, double *, int &);
void box_drop_tiled_recurse(double *, double *, int, int, int &);
typedef void (CommTiled::*BoxOtherPtr)(int, int, int, double *, double *);
BoxOtherPtr box_other;
void box_other_brick(int, int, int, double *, double *);
void box_other_tiled(int, int, int, double *, double *);
typedef int (CommTiled::*BoxTouchPtr)(int, int, int);
BoxTouchPtr box_touch;
int box_touch_brick(int, int, int);
int box_touch_tiled(int, int, int);
typedef int (CommTiled::*PointDropPtr)(int, double *);
PointDropPtr point_drop;
int point_drop_brick(int, double *);
int point_drop_tiled(int, double *);
int point_drop_tiled_recurse(double *, int, int);
int closer_subbox_edge(int, double *);
void grow_send(int, int); // reallocate send buffer
void grow_recv(int); // free/allocate recv buffer
void grow_list(int, int, int); // reallocate sendlist for one swap/proc
void allocate_swap(int); // allocate swap arrays
void grow_swap_send(int, int, int); // grow swap arrays for send and recv
void grow_swap_recv(int, int);
void deallocate_swap(int); // deallocate swap arrays
};
}
#endif
/* ERROR/WARNING messages:
E: KOKKOS package does not yet support comm_style tiled
Self-explanatory.
E: Cannot yet use comm_style tiled with triclinic box
Self-explanatory.
E: Cannot yet use comm_style tiled with multi-mode comm
Self-explanatory.
E: Communication cutoff for comm_style tiled cannot exceed periodic box length
Self-explanatory.
E: Comm tiled mis-match in box drop brick
Internal error check in comm_style tiled which should not occur.
Contact the developers.
E: Comm tiled invalid index in box drop brick
Internal error check in comm_style tiled which should not occur.
Contact the developers.
*/
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