git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12207 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
214
src/balance.cpp
214
src/balance.cpp
@ -21,6 +21,7 @@
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#include "balance.h"
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#include "atom.h"
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#include "comm.h"
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#include "rcb.h"
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#include "irregular.h"
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#include "domain.h"
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#include "force.h"
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@ -30,9 +31,10 @@
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using namespace LAMMPS_NS;
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enum{XYZ,SHIFT,RCB};
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enum{XYZ,SHIFT,BISECTION};
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enum{NONE,UNIFORM,USER};
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enum{X,Y,Z};
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enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; // several files
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/* ---------------------------------------------------------------------- */
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@ -47,6 +49,8 @@ Balance::Balance(LAMMPS *lmp) : Pointers(lmp)
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user_xsplit = user_ysplit = user_zsplit = NULL;
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shift_allocate = 0;
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rcb = NULL;
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fp = NULL;
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firststep = 1;
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}
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@ -74,6 +78,8 @@ Balance::~Balance()
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delete [] hisum;
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}
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delete rcb;
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if (fp) fclose(fp);
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}
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@ -176,7 +182,7 @@ void Balance::command(int narg, char **arg)
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} else if (strcmp(arg[iarg],"rcb") == 0) {
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if (style != -1) error->all(FLERR,"Illegal balance command");
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style = RCB;
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style = BISECTION;
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iarg++;
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} else break;
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@ -232,6 +238,9 @@ void Balance::command(int narg, char **arg)
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}
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}
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if (style == BISECTION && comm->style == 0)
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error->all(FLERR,"Balance rcb cannot be used with comm_style brick");
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// insure atoms are in current box & update box via shrink-wrap
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// init entire system since comm->setup is done
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// comm::init needs neighbor::init needs pair::init needs kspace::init, etc
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@ -251,8 +260,10 @@ void Balance::command(int narg, char **arg)
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double imbinit = imbalance_nlocal(maxinit);
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// no load-balance if imbalance doesn't exceed threshhold
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// unless switching from tiled to non tiled layout, then force rebalance
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if (imbinit < thresh) return;
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if (comm->layout == LAYOUT_TILED && style != BISECTION) {
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} else if (imbinit < thresh) return;
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// debug output of initial state
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@ -262,80 +273,65 @@ void Balance::command(int narg, char **arg)
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int niter = 0;
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// NOTE: if using XYZ or SHIFT and current partition is TILING,
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// then need to create initial BRICK partition before performing LB
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// perform load-balance
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// style XYZ = explicit setting of cutting planes of logical 3d grid
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if (style == XYZ) {
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if (comm->layout == LAYOUT_UNIFORM) {
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if (xflag == USER || yflag == USER || zflag == USER)
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comm->layout == LAYOUT_NONUNIFORM;
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} else if (comm->style == LAYOUT_NONUNIFORM) {
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if (xflag == UNIFORM && yflag == UNIFORM && zflag == UNIFORM)
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comm->layout == LAYOUT_UNIFORM;
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} else if (comm->style == LAYOUT_TILED) {
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if (xflag == UNIFORM && yflag == UNIFORM && zflag == UNIFORM)
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comm->layout == LAYOUT_UNIFORM;
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else comm->layout == LAYOUT_NONUNIFORM;
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}
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if (xflag == UNIFORM) {
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for (int i = 0; i < procgrid[0]; i++)
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comm->xsplit[i] = i * 1.0/procgrid[0];
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comm->xsplit[procgrid[0]] = 1.0;
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}
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} else if (xflag == USER)
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for (int i = 0; i <= procgrid[0]; i++) comm->xsplit[i] = user_xsplit[i];
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if (yflag == UNIFORM) {
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for (int i = 0; i < procgrid[1]; i++)
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comm->ysplit[i] = i * 1.0/procgrid[1];
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comm->ysplit[procgrid[1]] = 1.0;
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}
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} else if (yflag == USER)
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for (int i = 0; i <= procgrid[1]; i++) comm->ysplit[i] = user_ysplit[i];
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if (zflag == UNIFORM) {
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for (int i = 0; i < procgrid[2]; i++)
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comm->zsplit[i] = i * 1.0/procgrid[2];
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comm->zsplit[procgrid[2]] = 1.0;
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}
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if (xflag == USER)
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for (int i = 0; i <= procgrid[0]; i++) comm->xsplit[i] = user_xsplit[i];
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if (yflag == USER)
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for (int i = 0; i <= procgrid[1]; i++) comm->ysplit[i] = user_ysplit[i];
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if (zflag == USER)
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} else if (zflag == USER)
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for (int i = 0; i <= procgrid[2]; i++) comm->zsplit[i] = user_zsplit[i];
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}
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// style SHIFT = adjust cutting planes of logical 3d grid
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if (style == SHIFT) {
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static_setup(bstr);
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comm->layout = LAYOUT_NONUNIFORM;
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shift_setup_static(bstr);
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niter = shift();
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}
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// style RCB =
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// style BISECTION = recursive coordinate bisectioning
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if (style == RCB) {
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error->all(FLERR,"Balance rcb is not yet supported");
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if (comm->style == 0)
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error->all(FLERR,"Cannot use balance rcb with comm_style brick");
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if (style == BISECTION) {
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comm->layout = LAYOUT_TILED;
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bisection(1);
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}
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// output of final result
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if (outflag && me == 0) dumpout(update->ntimestep,fp);
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// reset comm->uniform flag if necessary
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if (comm->uniform) {
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if (style == SHIFT) comm->uniform = 0;
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if (style == XYZ && xflag == USER) comm->uniform = 0;
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if (style == XYZ && yflag == USER) comm->uniform = 0;
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if (style == XYZ && zflag == USER) comm->uniform = 0;
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} else {
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if (dimension == 3) {
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if (style == XYZ &&
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xflag == UNIFORM && yflag == UNIFORM && zflag == UNIFORM)
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comm->uniform = 1;
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} else {
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if (style == XYZ && xflag == UNIFORM && yflag == UNIFORM)
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comm->uniform = 1;
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}
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}
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// reset proc sub-domains
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// for either brick or tiled comm style
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if (domain->triclinic) domain->set_lamda_box();
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domain->set_local_box();
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@ -344,7 +340,8 @@ void Balance::command(int narg, char **arg)
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if (domain->triclinic) domain->x2lamda(atom->nlocal);
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Irregular *irregular = new Irregular(lmp);
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irregular->migrate_atoms(1);
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if (style == BISECTION) irregular->migrate_atoms(1,rcb->sendproc);
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else irregular->migrate_atoms(1);
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delete irregular;
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if (domain->triclinic) domain->lamda2x(atom->nlocal);
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@ -382,34 +379,36 @@ void Balance::command(int narg, char **arg)
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}
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}
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if (me == 0) {
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if (screen) {
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fprintf(screen," x cuts:");
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for (int i = 0; i <= comm->procgrid[0]; i++)
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fprintf(screen," %g",comm->xsplit[i]);
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fprintf(screen,"\n");
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fprintf(screen," y cuts:");
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for (int i = 0; i <= comm->procgrid[1]; i++)
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fprintf(screen," %g",comm->ysplit[i]);
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fprintf(screen,"\n");
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fprintf(screen," z cuts:");
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for (int i = 0; i <= comm->procgrid[2]; i++)
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fprintf(screen," %g",comm->zsplit[i]);
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fprintf(screen,"\n");
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}
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if (logfile) {
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fprintf(logfile," x cuts:");
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for (int i = 0; i <= comm->procgrid[0]; i++)
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fprintf(logfile," %g",comm->xsplit[i]);
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fprintf(logfile,"\n");
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fprintf(logfile," y cuts:");
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for (int i = 0; i <= comm->procgrid[1]; i++)
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fprintf(logfile," %g",comm->ysplit[i]);
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fprintf(logfile,"\n");
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fprintf(logfile," z cuts:");
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for (int i = 0; i <= comm->procgrid[2]; i++)
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fprintf(logfile," %g",comm->zsplit[i]);
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fprintf(logfile,"\n");
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if (style != BISECTION) {
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if (me == 0) {
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if (screen) {
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fprintf(screen," x cuts:");
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for (int i = 0; i <= comm->procgrid[0]; i++)
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fprintf(screen," %g",comm->xsplit[i]);
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fprintf(screen,"\n");
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fprintf(screen," y cuts:");
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for (int i = 0; i <= comm->procgrid[1]; i++)
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fprintf(screen," %g",comm->ysplit[i]);
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fprintf(screen,"\n");
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fprintf(screen," z cuts:");
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for (int i = 0; i <= comm->procgrid[2]; i++)
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fprintf(screen," %g",comm->zsplit[i]);
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fprintf(screen,"\n");
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}
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if (logfile) {
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fprintf(logfile," x cuts:");
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for (int i = 0; i <= comm->procgrid[0]; i++)
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fprintf(logfile," %g",comm->xsplit[i]);
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fprintf(logfile,"\n");
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fprintf(logfile," y cuts:");
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for (int i = 0; i <= comm->procgrid[1]; i++)
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fprintf(logfile," %g",comm->ysplit[i]);
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fprintf(logfile,"\n");
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fprintf(logfile," z cuts:");
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for (int i = 0; i <= comm->procgrid[2]; i++)
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fprintf(logfile," %g",comm->zsplit[i]);
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fprintf(logfile,"\n");
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}
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}
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}
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}
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@ -467,13 +466,52 @@ double Balance::imbalance_splits(int &max)
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return imbalance;
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}
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/* ----------------------------------------------------------------------
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perform balancing via RCB class
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sortflag = flag for sorting order of received messages by proc ID
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------------------------------------------------------------------------- */
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int *Balance::bisection(int sortflag)
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{
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if (!rcb) rcb = new RCB(lmp);
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// NOTE: lo/hi args could be simulation box or particle bounding box
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// NOTE: triclinic needs to be in lamda coords
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int dim = domain->dimension;
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double *boxlo = domain->boxlo;
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double *boxhi = domain->boxhi;
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double *prd = domain->prd;
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rcb->compute(dim,atom->nlocal,atom->x,NULL,boxlo,boxhi);
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rcb->invert(sortflag);
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// NOTE: this logic is specific to orthogonal boxes, not triclinic
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double (*mysplit)[2] = comm->mysplit;
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mysplit[0][0] = (rcb->lo[0] - boxlo[0]) / prd[0];
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if (rcb->hi[0] == boxhi[0]) mysplit[0][1] = 1.0;
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else mysplit[0][1] = (rcb->hi[0] - boxlo[0]) / prd[0];
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mysplit[1][0] = (rcb->lo[1] - boxlo[1]) / prd[1];
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if (rcb->hi[1] == boxhi[1]) mysplit[1][1] = 1.0;
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else mysplit[1][1] = (rcb->hi[1] - boxlo[1]) / prd[1];
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mysplit[2][0] = (rcb->lo[2] - boxlo[2]) / prd[2];
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if (rcb->hi[2] == boxhi[2]) mysplit[2][1] = 1.0;
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else mysplit[2][1] = (rcb->hi[2] - boxlo[2]) / prd[2];
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return rcb->sendproc;
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}
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/* ----------------------------------------------------------------------
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setup static load balance operations
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called from command
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called from command and indirectly initially from fix balance
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set rho = 0 for static balancing
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------------------------------------------------------------------------- */
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void Balance::static_setup(char *str)
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void Balance::shift_setup_static(char *str)
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{
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shift_allocate = 1;
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@ -498,21 +536,35 @@ void Balance::static_setup(char *str)
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losum = new bigint[max+1];
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hisum = new bigint[max+1];
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// if current layout is TILED, set initial uniform splits in Comm
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// this gives starting point to subsequent shift balancing
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if (comm->layout == LAYOUT_TILED) {
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int *procgrid = comm->procgrid;
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double *xsplit = comm->xsplit;
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double *ysplit = comm->ysplit;
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double *zsplit = comm->zsplit;
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for (int i = 0; i < procgrid[0]; i++) xsplit[i] = i * 1.0/procgrid[0];
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for (int i = 0; i < procgrid[1]; i++) ysplit[i] = i * 1.0/procgrid[1];
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for (int i = 0; i < procgrid[2]; i++) zsplit[i] = i * 1.0/procgrid[2];
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xsplit[procgrid[0]] = ysplit[procgrid[1]] = zsplit[procgrid[2]] = 1.0;
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}
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rho = 0;
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}
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/* ----------------------------------------------------------------------
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setup shift load balance operations
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called from fix balance
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set rho = 1 for shift balancing after call to shift_setup()
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set rho = 1 to do dynamic balancing after call to shift_setup_static()
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------------------------------------------------------------------------- */
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void Balance::shift_setup(char *str, int nitermax_in, double thresh_in)
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{
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static_setup(str);
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shift_setup_static(str);
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nitermax = nitermax_in;
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stopthresh = thresh_in;
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rho = 1;
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}
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@ -525,7 +577,7 @@ void Balance::shift_setup(char *str, int nitermax_in, double thresh_in)
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int Balance::shift()
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{
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int i,j,k,m,np,max;
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double *split = NULL;
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double *split;
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// no balancing if no atoms
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@ -590,7 +642,7 @@ int Balance::shift()
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// iterate until balanced
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#ifdef BALANCE_DEBUG
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if (me == 0) debug_output(idim,0,np,split);
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if (me == 0) debug_shift_output(idim,0,np,split);
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#endif
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int doneflag;
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@ -601,7 +653,7 @@ int Balance::shift()
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niter++;
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#ifdef BALANCE_DEBUG
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if (me == 0) debug_output(idim,m+1,np,split);
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if (me == 0) debug_shift_output(idim,m+1,np,split);
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if (me == 0 && fp) dumpout(update->ntimestep,fp);
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#endif
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@ -827,7 +879,7 @@ void Balance::dumpout(bigint tstep, FILE *bfp)
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int nx = comm->procgrid[0] + 1;
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int ny = comm->procgrid[1] + 1;
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//int nz = comm->procgrid[2] + 1;
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int nz = comm->procgrid[2] + 1;
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if (dimension == 2) {
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int m = 0;
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@ -914,7 +966,7 @@ void Balance::dumpout(bigint tstep, FILE *bfp)
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------------------------------------------------------------------------- */
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#ifdef BALANCE_DEBUG
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void Balance::debug_output(int idim, int m, int np, double *split)
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void Balance::debug_shift_output(int idim, int m, int np, double *split)
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{
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int i;
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const char *dim = NULL;
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