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