/usr/include/liggghts/comm.h is in libliggghts-dev 2.3.8-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 | /* ----------------------------------------------------------------------
LIGGGHTS - LAMMPS Improved for General Granular and Granular Heat
Transfer Simulations
LIGGGHTS is part of the CFDEMproject
www.liggghts.com | www.cfdem.com
This file was modified with respect to the release in LAMMPS
Modifications are Copyright 2009-2012 JKU Linz
Copyright 2012- DCS Computing GmbH, Linz
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 directory.
------------------------------------------------------------------------- */
#ifndef LMP_COMM_H
#define LMP_COMM_H
#include "pointers.h"
namespace LAMMPS_NS {
class Comm : protected Pointers {
public:
int me,nprocs; // proc info
int procgrid[3]; // procs assigned in each dim of 3d grid
int user_procgrid[3]; // user request for procs in each dim
int myloc[3]; // which proc I am in each dim
int procneigh[3][2]; // my 6 neighboring procs, 0/1 = left/right
int ghost_velocity; // 1 if ghost atoms have velocity, 0 if not
int uniform; // 1 = equal subdomains, 0 = load-balanced
double *xsplit,*ysplit,*zsplit; // fractional (0-1) sub-domain sizes
double cutghost[3]; // cutoffs used for acquiring ghost atoms
double cutghostuser; // user-specified ghost cutoff
int ***grid2proc; // which proc owns i,j,k loc in 3d grid
int recv_from_partition; // recv proc layout from this partition
int send_to_partition; // send my proc layout to this partition
// -1 if no recv or send
int other_partition_style; // 0 = recv layout dims must be multiple of
// my layout dims
int nthreads; // OpenMP threads per MPI process
Comm(class LAMMPS *);
virtual ~Comm();
virtual void init();
virtual void set_proc_grid(); // setup 3d grid of procs
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 *); // forward comm from a Fix
virtual void reverse_comm_fix(class Fix *); // 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 set(int, char **); // set communication style
void set_processors(int, char **); // set 3d processor grid attributes
virtual bigint memory_usage();
protected:
int style; // single vs multi-type comm
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 triclinic; // 0 if domain is orthog, 1 if triclinic
int maxswap; // max # of swaps memory is allocated for
int size_forward; // # of per-atom datums in forward comm
int size_reverse; // # of datums in reverse comm
int size_border; // # of datums in forward border comm
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 comm_x_only,comm_f_only; // 1 if only exchange x,f in for/rev comm
int map_style; // non-0 if global->local mapping is done
int bordergroup; // only communicate this group in borders
int gridflag; // option for creating 3d grid
int mapflag; // option for mapping procs to 3d grid
char xyz[4]; // xyz mapping of procs to 3d grid
char *customfile; // file with custom proc map
char *outfile; // proc grid/map output file
int otherflag; // 1 if this partition dependent on another
int other_style; // style of dependency
int other_procgrid[3]; // proc layout of another partition
int other_coregrid[3]; // core layout of another partition
int ncores; // # of cores per node
int coregrid[3]; // 3d grid of cores within a node
int user_coregrid[3]; // user request for cores in each dim
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 maxforward,maxreverse; // max # of datums in forward/reverse comm
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
bool decide(int i,int dim,double lo,double hi,int ineed);
bool decide_wedge(int i,int dim,double lo,double hi,int ineed);
class DomainWedge *dw_;
int ia,iphi;
double nleft[2],nright[2],pleft[2],pright[2],c[2];
};
}
#endif
/* ERROR/WARNING messages:
E: Bad grid of processors
The 3d grid of processors defined by the processors command does not
match the number of processors LAMMPS is being run on.
E: Processor count in z must be 1 for 2d simulation
Self-explanatory.
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Invalid group in communicate command
Self-explanatory.
E: Communicate group != atom_modify first group
Self-explanatory.
E: Invalid cutoff in communicate command
Specified cutoff must be >= 0.0.
E: Specified processors != physical processors
The 3d grid of processors defined by the processors command does not
match the number of processors LAMMPS is being run on.
E: Cannot use processors part command without using partitions
See the command-line -partition switch.
E: Invalid partitions in processors part command
Valid partitions are numbered 1 to N and the sender and receiver
cannot be the same partition.
E: Sending partition in processors part command is already a sender
Cannot specify a partition to be a sender twice.
E: Receiving partition in processors part command is already a receiver
Cannot specify a partition to be a receiver twice.
E: Processors grid numa and map style are incompatible
Using numa for gstyle in the processors command requires using
cart for the map option.
E: Processors part option and grid style are incompatible
Cannot use gstyle numa or custom with the part option.
*/
|