git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11979 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
1537
src/comm_brick.cpp
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src/comm_brick.cpp
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src/comm_brick.h
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src/comm_brick.h
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/* ----------------------------------------------------------------------
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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_COMM_BRICK_H
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#define LMP_COMM_BRICK_H
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#include "comm.h"
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namespace LAMMPS_NS {
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class CommBrick : public Comm {
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public:
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CommBrick(class LAMMPS *);
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virtual ~CommBrick();
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virtual void init();
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virtual void setup(); // setup 3d comm pattern
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virtual void forward_comm(int dummy = 0); // forward comm of atom coords
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virtual void reverse_comm(); // reverse comm of forces
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virtual void exchange(); // move atoms to new procs
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virtual void borders(); // setup list of atoms to comm
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virtual void forward_comm_pair(class Pair *); // forward comm from a Pair
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virtual void reverse_comm_pair(class Pair *); // reverse comm from a Pair
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virtual void forward_comm_fix(class Fix *); // forward comm from a Fix
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virtual void reverse_comm_fix(class Fix *); // reverse comm from a Fix
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virtual void forward_comm_variable_fix(class Fix *); // variable-size variant
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virtual void reverse_comm_variable_fix(class Fix *); // variable-size variant
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virtual void forward_comm_compute(class Compute *); // forward from a Compute
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virtual void reverse_comm_compute(class Compute *); // reverse from a Compute
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virtual void forward_comm_dump(class Dump *); // forward comm from a Dump
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virtual void reverse_comm_dump(class Dump *); // reverse comm from a Dump
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void forward_comm_array(int, double **); // forward comm of array
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int exchange_variable(int, double *, double *&); // exchange on neigh stencil
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virtual bigint memory_usage();
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protected:
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int nswap; // # of swaps to perform = sum of maxneed
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int recvneed[3][2]; // # of procs away I recv atoms from
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int sendneed[3][2]; // # of procs away I send atoms to
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int maxneed[3]; // max procs away any proc needs, per dim
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int triclinic; // 0 if domain is orthog, 1 if triclinic
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int maxswap; // max # of swaps memory is allocated for
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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 *sendnum,*recvnum; // # of atoms to send/recv in each swap
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int *sendproc,*recvproc; // proc to send/recv to/from at each swap
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int *size_forward_recv; // # of values to recv in each forward comm
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int *size_reverse_send; // # to send in each reverse comm
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int *size_reverse_recv; // # to recv in each reverse comm
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double *slablo,*slabhi; // bounds of slab to send at each swap
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double **multilo,**multihi; // bounds of slabs for multi-type swap
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double **cutghostmulti; // cutghost on a per-type basis
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int *pbc_flag; // general flag for sending atoms thru PBC
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int **pbc; // dimension flags for PBC adjustments
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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 map_style; // non-0 if global->local mapping is done
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int *firstrecv; // where to put 1st recv atom in each swap
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int **sendlist; // list of atoms to send in each swap
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int *maxsendlist; // max size of send list for each swap
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double *buf_send; // send buffer for all comm
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double *buf_recv; // recv buffer for all comm
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int maxsend,maxrecv; // current size of send/recv buffer
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int maxforward,maxreverse; // max # of datums in forward/reverse comm
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int maxexchange; // max # of datums/atom in exchange comm
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int bufextra; // extra space beyond maxsend in send buffer
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int updown(int, int, int, double, int, double *);
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// compare cutoff to procs
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virtual void grow_send(int, int); // reallocate send buffer
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virtual void grow_recv(int); // free/allocate recv buffer
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virtual void grow_list(int, int); // reallocate one sendlist
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virtual void grow_swap(int); // grow swap and multi arrays
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virtual void allocate_swap(int); // allocate swap arrays
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virtual void allocate_multi(int); // allocate multi arrays
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virtual void free_swap(); // free swap arrays
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virtual void free_multi(); // free multi arrays
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};
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}
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#endif
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/* ERROR/WARNING messages:
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W: OMP_NUM_THREADS environment is not set.
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This environment variable must be set appropriately to use the
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USER-OMP pacakge.
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E: Bad grid of processors
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The 3d grid of processors defined by the processors command does not
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match the number of processors LAMMPS is being run on.
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E: Processor count in z must be 1 for 2d simulation
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Self-explanatory.
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Invalid group in communicate command
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Self-explanatory.
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E: Communicate group != atom_modify first group
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Self-explanatory.
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E: Invalid cutoff in communicate command
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Specified cutoff must be >= 0.0.
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E: Specified processors != physical processors
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The 3d grid of processors defined by the processors command does not
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match the number of processors LAMMPS is being run on.
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E: Cannot use processors part command without using partitions
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See the command-line -partition switch.
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E: Invalid partitions in processors part command
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Valid partitions are numbered 1 to N and the sender and receiver
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cannot be the same partition.
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E: Sending partition in processors part command is already a sender
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Cannot specify a partition to be a sender twice.
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E: Receiving partition in processors part command is already a receiver
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Cannot specify a partition to be a receiver twice.
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E: Processors grid numa and map style are incompatible
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Using numa for gstyle in the processors command requires using
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cart for the map option.
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E: Processors part option and grid style are incompatible
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Cannot use gstyle numa or custom with the part option.
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*/
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210
src/comm_tiled.cpp
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src/comm_tiled.cpp
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/* ----------------------------------------------------------------------
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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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#include "lmptype.h"
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#include "comm_tiled.h"
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#include "error.h"
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using namespace LAMMPS_NS;
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enum{SINGLE,MULTI}; // same as in Comm
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/* ---------------------------------------------------------------------- */
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CommTiled::CommTiled(LAMMPS *lmp) : Comm(lmp)
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{
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style = 1;
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layout = 0;
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error->all(FLERR,"Comm_style tiled is not yet supported");
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}
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/* ---------------------------------------------------------------------- */
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CommTiled::~CommTiled()
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{
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}
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/* ---------------------------------------------------------------------- */
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void CommTiled::init()
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{
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}
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/* ----------------------------------------------------------------------
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setup spatial-decomposition communication patterns
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function of neighbor cutoff(s) & cutghostuser & current box size
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single mode sets slab boundaries (slablo,slabhi) based on max cutoff
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multi mode sets type-dependent slab boundaries (multilo,multihi)
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------------------------------------------------------------------------- */
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void CommTiled::setup()
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{
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}
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/* ----------------------------------------------------------------------
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forward communication of atom coords every timestep
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other per-atom attributes may also be sent via pack/unpack routines
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------------------------------------------------------------------------- */
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void CommTiled::forward_comm(int dummy)
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{
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}
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/* ----------------------------------------------------------------------
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reverse communication of forces on atoms every timestep
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other per-atom attributes may also be sent via pack/unpack routines
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------------------------------------------------------------------------- */
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void CommTiled::reverse_comm()
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{
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}
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/* ----------------------------------------------------------------------
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exchange: move atoms to correct processors
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atoms exchanged with all 6 stencil neighbors
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send out atoms that have left my box, receive ones entering my box
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atoms will be lost if not inside some proc's box
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can happen if atom moves outside of non-periodic bounary
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or if atom moves more than one proc away
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this routine called before every reneighboring
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for triclinic, atoms must be in lamda coords (0-1) before exchange is called
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------------------------------------------------------------------------- */
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void CommTiled::exchange()
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{
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}
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/* ----------------------------------------------------------------------
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borders: list nearby atoms to send to neighboring procs at every timestep
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one list is created for every swap that will be made
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as list is made, actually do swaps
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this does equivalent of a communicate, so don't need to explicitly
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call communicate routine on reneighboring timestep
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this routine is called before every reneighboring
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for triclinic, atoms must be in lamda coords (0-1) before borders is called
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------------------------------------------------------------------------- */
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void CommTiled::borders()
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{
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}
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/* ----------------------------------------------------------------------
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forward communication invoked by a Pair
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------------------------------------------------------------------------- */
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void CommTiled::forward_comm_pair(Pair *pair)
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{
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}
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/* ----------------------------------------------------------------------
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reverse communication invoked by a Pair
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------------------------------------------------------------------------- */
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void CommTiled::reverse_comm_pair(Pair *pair)
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{
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}
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/* ----------------------------------------------------------------------
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forward communication invoked by a Fix
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n = constant number of datums per atom
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------------------------------------------------------------------------- */
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void CommTiled::forward_comm_fix(Fix *fix)
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{
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}
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/* ----------------------------------------------------------------------
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reverse communication invoked by a Fix
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n = constant number of datums per atom
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------------------------------------------------------------------------- */
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void CommTiled::reverse_comm_fix(Fix *fix)
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{
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}
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/* ----------------------------------------------------------------------
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forward communication invoked by a Fix
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n = total datums for all atoms, allows for variable number/atom
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------------------------------------------------------------------------- */
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void CommTiled::forward_comm_variable_fix(Fix *fix)
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{
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}
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/* ----------------------------------------------------------------------
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reverse communication invoked by a Fix
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n = total datums for all atoms, allows for variable number/atom
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------------------------------------------------------------------------- */
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void CommTiled::reverse_comm_variable_fix(Fix *fix)
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{
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}
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/* ----------------------------------------------------------------------
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forward communication invoked by a Compute
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------------------------------------------------------------------------- */
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void CommTiled::forward_comm_compute(Compute *compute)
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{
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}
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/* ----------------------------------------------------------------------
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reverse communication invoked by a Compute
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------------------------------------------------------------------------- */
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void CommTiled::reverse_comm_compute(Compute *compute)
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{
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}
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/* ----------------------------------------------------------------------
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forward communication invoked by a Dump
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------------------------------------------------------------------------- */
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void CommTiled::forward_comm_dump(Dump *dump)
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{
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}
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/* ----------------------------------------------------------------------
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reverse communication invoked by a Dump
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------------------------------------------------------------------------- */
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void CommTiled::reverse_comm_dump(Dump *dump)
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{
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}
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/* ----------------------------------------------------------------------
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forward communication of N values in array
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------------------------------------------------------------------------- */
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void CommTiled::forward_comm_array(int n, double **array)
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{
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}
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/* ----------------------------------------------------------------------
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exchange info provided with all 6 stencil neighbors
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------------------------------------------------------------------------- */
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int CommTiled::exchange_variable(int n, double *inbuf, double *&outbuf)
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{
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}
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/* ----------------------------------------------------------------------
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return # of bytes of allocated memory
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------------------------------------------------------------------------- */
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bigint CommTiled::memory_usage()
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{
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bigint bytes = 0;
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return bytes;
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}
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55
src/comm_tiled.h
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55
src/comm_tiled.h
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@ -0,0 +1,55 @@
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/* ----------------------------------------------------------------------
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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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||||
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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_TILED_H
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#define LMP_COMM_TILED_H
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#include "comm.h"
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namespace LAMMPS_NS {
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class CommTiled : public Comm {
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public:
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CommTiled(class LAMMPS *);
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virtual ~CommTiled();
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void init();
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void setup(); // setup comm pattern
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void forward_comm(int dummy = 0); // forward comm of atom coords
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void reverse_comm(); // reverse comm of forces
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void exchange(); // move atoms to new procs
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void borders(); // setup list of atoms to comm
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void forward_comm_pair(class Pair *); // forward comm from a Pair
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void reverse_comm_pair(class Pair *); // reverse comm from a Pair
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void forward_comm_fix(class Fix *); // forward comm from a Fix
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void reverse_comm_fix(class Fix *); // reverse comm from a Fix
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void forward_comm_variable_fix(class Fix *); // variable-size variant
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void reverse_comm_variable_fix(class Fix *); // variable-size variant
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void forward_comm_compute(class Compute *); // forward from a Compute
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void reverse_comm_compute(class Compute *); // reverse from a Compute
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void forward_comm_dump(class Dump *); // forward comm from a Dump
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void reverse_comm_dump(class Dump *); // reverse comm from a Dump
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void forward_comm_array(int, double **); // forward comm of array
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int exchange_variable(int, double *, double *&); // exchange on neigh stencil
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bigint memory_usage();
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};
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}
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#endif
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/* ERROR/WARNING messages:
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*/
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Reference in New Issue
Block a user