Homec4science
Diffusion lammps (master) Browse

lammps/src/KOKKOS/comm_tiled_kokkos.cpp
6f1935ea4058master

Last Change
Raw File

comm_tiled_kokkos.cpp
View Options

/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
#include <string.h>
#include "comm_tiled_kokkos.h"
#include "comm_brick.h"
#include "atom_kokkos.h"
#include "atom_vec.h"
#include "domain.h"
#include "force.h"
#include "pair.h"
#include "neighbor.h"
#include "modify.h"
#include "fix.h"
#include "compute.h"
#include "output.h"
#include "dump.h"
#include "memory.h"
#include "error.h"
#include "atom_masks.h"
using namespace LAMMPS_NS;
#define BUFFACTOR 1.5
#define BUFFACTOR 1.5
#define BUFMIN 1000
#define BUFEXTRA 1000
#define EPSILON 1.0e-6
#define DELTA_PROCS 16
enum{SINGLE,MULTI}; // same as in Comm
enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; // several files
/* ---------------------------------------------------------------------- */
CommTiledKokkos::CommTiledKokkos(LAMMPS *lmp) : CommTiled(lmp)
{
}
/* ---------------------------------------------------------------------- */
//IMPORTANT: we *MUST* pass "*oldcomm" to the Comm initializer here, as
// the code below *requires* that the (implicit) copy constructor
// for Comm is run and thus creating a shallow copy of "oldcomm".
// The call to Comm::copy_arrays() then converts the shallow copy
// into a deep copy of the class with the new layout.
CommTiledKokkos::CommTiledKokkos(LAMMPS *lmp, Comm *oldcomm) : CommTiled(lmp,oldcomm)
{
}
/* ---------------------------------------------------------------------- */
CommTiledKokkos::~CommTiledKokkos()
{
}
/* ---------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
forward communication of atom coords every timestep
other per-atom attributes may also be sent via pack/unpack routines
------------------------------------------------------------------------- */
void CommTiledKokkos::forward_comm(int dummy)
{
if (comm_x_only) {
atomKK->sync(Host,X_MASK);
atomKK->modified(Host,X_MASK);
} else if (ghost_velocity) {
atomKK->sync(Host,X_MASK | V_MASK);
atomKK->modified(Host,X_MASK | V_MASK);
} else {
atomKK->sync(Host,ALL_MASK);
atomKK->modified(Host,ALL_MASK);
}
CommTiled::forward_comm(dummy);
}
/* ----------------------------------------------------------------------
reverse communication of forces on atoms every timestep
other per-atom attributes may also be sent via pack/unpack routines
------------------------------------------------------------------------- */
void CommTiledKokkos::reverse_comm()
{
if (comm_f_only)
atomKK->sync(Host,F_MASK);
else
atomKK->sync(Host,ALL_MASK);
CommTiled::reverse_comm();
if (comm_f_only)
atomKK->modified(Host,F_MASK);
else
atomKK->modified(Host,ALL_MASK);
atomKK->sync(Device,ALL_MASK);
}
/* ----------------------------------------------------------------------
exchange: move atoms to correct processors
atoms exchanged with procs that touch sub-box in each of 3 dims
send out atoms that have left my box, receive ones entering my box
atoms will be lost if not inside a touching proc's box
can happen if atom moves outside of non-periodic bounary
or if atom moves more than one proc away
this routine called before every reneighboring
for triclinic, atoms must be in lamda coords (0-1) before exchange is called
------------------------------------------------------------------------- */
void CommTiledKokkos::exchange()
{
atomKK->sync(Host,ALL_MASK);
CommTiled::exchange();
atomKK->modified(Host,ALL_MASK);
}
/* ----------------------------------------------------------------------
borders: list nearby atoms to send to neighboring procs at every timestep
one list is created per swap/proc that will be made
as list is made, actually do communication
this does equivalent of a forward_comm(), so don't need to explicitly
call forward_comm() on reneighboring timestep
this routine is called before every reneighboring
for triclinic, atoms must be in lamda coords (0-1) before borders is called
------------------------------------------------------------------------- */
void CommTiledKokkos::borders()
{
atomKK->sync(Host,ALL_MASK);
CommTiled::borders();
atomKK->modified(Host,ALL_MASK);
}
/* ----------------------------------------------------------------------
forward communication invoked by a Pair
nsize used only to set recv buffer limit
------------------------------------------------------------------------- */
void CommTiledKokkos::forward_comm_pair(Pair *pair)
{
CommTiled::forward_comm_pair(pair);
}
/* ----------------------------------------------------------------------
reverse communication invoked by a Pair
nsize used only to set recv buffer limit
------------------------------------------------------------------------- */
void CommTiledKokkos::reverse_comm_pair(Pair *pair)
{
CommTiled::reverse_comm_pair(pair);
}
/* ----------------------------------------------------------------------
forward communication invoked by a Fix
size/nsize used only to set recv buffer limit
size = 0 (default) -> use comm_forward from Fix
size > 0 -> Fix passes max size per atom
the latter is only useful if Fix does several comm modes,
some are smaller than max stored in its comm_forward
------------------------------------------------------------------------- */
void CommTiledKokkos::forward_comm_fix(Fix *fix, int size)
{
CommTiled::forward_comm_fix(fix,size);
}
/* ----------------------------------------------------------------------
reverse communication invoked by a Fix
size/nsize used only to set recv buffer limit
size = 0 (default) -> use comm_forward from Fix
size > 0 -> Fix passes max size per atom
the latter is only useful if Fix does several comm modes,
some are smaller than max stored in its comm_forward
------------------------------------------------------------------------- */
void CommTiledKokkos::reverse_comm_fix(Fix *fix, int size)
{
CommTiled::reverse_comm_fix(fix,size);
}
/* ----------------------------------------------------------------------
reverse communication invoked by a Fix with variable size data
query fix for all pack sizes to insure buf_send is big enough
handshake sizes before irregular comm to insure buf_recv is big enough
NOTE: how to setup one big buf recv with correct offsets ??
------------------------------------------------------------------------- */
void CommTiledKokkos::reverse_comm_fix_variable(Fix *fix)
{
CommTiled::reverse_comm_fix_variable(fix);
}
/* ----------------------------------------------------------------------
forward communication invoked by a Compute
nsize used only to set recv buffer limit
------------------------------------------------------------------------- */
void CommTiledKokkos::forward_comm_compute(Compute *compute)
{
CommTiled::forward_comm_compute(compute);
}
/* ----------------------------------------------------------------------
reverse communication invoked by a Compute
nsize used only to set recv buffer limit
------------------------------------------------------------------------- */
void CommTiledKokkos::reverse_comm_compute(Compute *compute)
{
CommTiled::reverse_comm_compute(compute);
}
/* ----------------------------------------------------------------------
forward communication invoked by a Dump
nsize used only to set recv buffer limit
------------------------------------------------------------------------- */
void CommTiledKokkos::forward_comm_dump(Dump *dump)
{
CommTiled::forward_comm_dump(dump);
}
/* ----------------------------------------------------------------------
reverse communication invoked by a Dump
nsize used only to set recv buffer limit
------------------------------------------------------------------------- */
void CommTiledKokkos::reverse_comm_dump(Dump *dump)
{
CommTiled::reverse_comm_dump(dump);
}
/* ----------------------------------------------------------------------
forward communication of Nsize values in per-atom array
------------------------------------------------------------------------- */
void CommTiledKokkos::forward_comm_array(int nsize, double **array)
{
CommTiled::forward_comm_array(nsize,array);
}
/* ----------------------------------------------------------------------
exchange info provided with all 6 stencil neighbors
NOTE: this method is currently not used
------------------------------------------------------------------------- */
int CommTiledKokkos::exchange_variable(int n, double *inbuf, double *&outbuf)
{
return CommTiled::exchange_variable(n,inbuf,outbuf);
}
c4science · Help