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lammps/src/comm_brick.h
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comm_brick.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_BRICK_H
#define LMP_COMM_BRICK_H
#include "comm.h"
namespace LAMMPS_NS {
class CommBrick : public Comm {
public:
CommBrick(class LAMMPS *);
CommBrick(class LAMMPS *, class Comm *);
virtual ~CommBrick();
virtual void init();
virtual void setup(); // setup 3d 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
void forward_comm_array(int, double **); // forward comm of array
int exchange_variable(int, double *, double *&); // exchange on neigh stencil
virtual bigint memory_usage();
protected:
int nswap; // # of swaps to perform = sum of maxneed
int recvneed[3][2]; // # of procs away I recv atoms from
int sendneed[3][2]; // # of procs away I send atoms to
int maxneed[3]; // max procs away any proc needs, per dim
int maxswap; // max # of swaps memory is allocated for
int *sendnum,*recvnum; // # of atoms to send/recv in each swap
int *sendproc,*recvproc; // proc to send/recv to/from at each swap
int *size_forward_recv; // # of values to recv in each forward comm
int *size_reverse_send; // # to send in each reverse comm
int *size_reverse_recv; // # to recv in each reverse comm
double *slablo,*slabhi; // bounds of slab to send at each swap
double **multilo,**multihi; // bounds of slabs for multi-type swap
double **cutghostmulti; // cutghost on a per-type basis
int *pbc_flag; // general flag for sending atoms thru PBC
int **pbc; // dimension flags for PBC adjustments
int *firstrecv; // where to put 1st recv atom in each swap
int **sendlist; // list of atoms to send in each swap
int *maxsendlist; // max size of send list for each swap
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 smax,rmax; // max size in atoms of single borders send/recv
// NOTE: init_buffers is called from a constructor and must not be made virtual
void init_buffers();
int updown(int, int, int, double, int, double *);
// compare cutoff to procs
virtual void grow_send(int, int); // reallocate send buffer
virtual void grow_recv(int); // free/allocate recv buffer
virtual void grow_list(int, int); // reallocate one sendlist
virtual void grow_swap(int); // grow swap and multi arrays
virtual void allocate_swap(int); // allocate swap arrays
virtual void allocate_multi(int); // allocate multi arrays
virtual void free_swap(); // free swap arrays
virtual void free_multi(); // free multi arrays
};
}
#endif
/* ERROR/WARNING messages:
E: Cannot change to comm_style brick from tiled layout
Self-explanatory.
*/
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