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lammps/src/balance.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.
------------------------------------------------------------------------- */
#ifdef COMMAND_CLASS
CommandStyle(balance,Balance)
#else
#ifndef LMP_BALANCE_H
#define LMP_BALANCE_H
#include <stdio.h>
#include "pointers.h"
namespace LAMMPS_NS {
class Balance : protected Pointers {
public:
class RCB *rcb;
class FixStore *fixstore; // per-atom weights stored in FixStore
int wtflag; // 1 if particle weighting is used
int varflag; // 1 if weight style var(iable) is used
int outflag; // 1 for output of balance results to file
Balance(class LAMMPS *);
~Balance();
void command(int, char **);
void options(int, int, char **);
void weight_storage(char *);
void init_imbalance(int);
void set_weights();
double imbalance_factor(double &);
void shift_setup(char *, int, double);
int shift();
int *bisection(int sortflag = 0);
void dumpout(bigint);
private:
int me,nprocs;
double thresh; // threshold to perform LB
int style; // style of LB
int xflag,yflag,zflag; // xyz LB flags
double *user_xsplit,*user_ysplit,*user_zsplit; // params for xyz LB
int oldrcb; // use old-style RCB compute
int nitermax; // params for shift LB
double stopthresh;
char bstr[4];
int shift_allocate; // 1 if SHIFT vectors have been allocated
int ndim; // length of balance string bstr
int *bdim; // XYZ for each character in bstr
double *onecost; // work vector of counts in one dim
double *allcost; // counts for slices in one dim
double *sum; // cumulative count for slices in one dim
double *target; // target sum for slices in one dim
double *lo,*hi; // lo/hi split coords that bound each target
double *losum,*hisum; // cumulative counts at lo/hi coords
int rho; // 0 for geometric recursion
// 1 for density weighted recursion
double *proccost; // particle cost per processor
double *allproccost; // proccost summed across procs
int nimbalance; // number of user-specified weight styles
class Imbalance **imbalances; // list of Imb classes, one per weight style
double *weight; // ptr to FixStore weight vector
FILE *fp; // balance output file
int firststep;
double imbalance_splits();
void shift_setup_static(char *);
void tally(int, int, double *);
int adjust(int, double *);
int binary(double, int, double *);
#ifdef BALANCE_DEBUG
void debug_shift_output(int, int, int, double *);
#endif
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Balance command before simulation box is defined
The balance command cannot be used before a read_data, read_restart,
or create_box command.
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: Cannot open balance output file
Self-explanatory.
E: Cannot balance in z dimension for 2d simulation
Self-explanatory.
E: Balance shift string is invalid
The string can only contain the characters "x", "y", or "z".
E: Balance rcb cannot be used with comm_style brick
Comm_style tiled must be used instead.
E: Lost atoms via balance: original %ld current %ld
This should not occur. Report the problem to the developers.
E: Balance produced bad splits
This should not occur. It means two or more cutting plane locations
are on top of each other or out of order. Report the problem to the
developers.
*/
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