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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 {
friend class FixBalance;
public:
Balance(class LAMMPS *);
~Balance();
void command(int, char **);
void shift_setup(char *, int, double);
int shift();
int *bisection(int sortflag = 0);
double imbalance_nlocal(int &);
void dumpout(bigint, FILE *);
protected:
class RCB *rcb;
void set_imb_fix(class FixStore *fix) { imb_fix = fix; };
private:
int me,nprocs;
double thresh; // threshhold 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 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
bigint *count; // counts for slices in one dim
bigint *onecount; // work vector of counts in one dim
bigint *sum; // cummulative count for slices in one dim
bigint *target; // target sum for slices in one dim
double *lo,*hi; // lo/hi split coords that bound each target
bigint *losum,*hisum; // cummulative counts at lo/hi coords
int rho; // 0 for geometric recursion
// 1 for density weighted recursion
int *proccount; // (weighted) particle count per processor
int *allproccount;
int nimbalance; // number of imbalance weight computes
class Imbalance **imbalance; // list of imbalance compute classes
class FixStore *imb_fix; // fix for storing per-atom weights
int outflag; // for output of balance results to file
FILE *fp;
int firststep;
double imbalance_splits(int &, const double *);
void shift_setup_static(char *);
void tally(int, int, double *, const 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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