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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-10-30 20:04:06 +00:00
parent 0aa77408f8
commit 354e20f431
1219 changed files with 10111 additions and 10111 deletions
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32
src/balance.cpp
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@ -13,10 +13,10 @@
//#define BALANCE_DEBUG 1
#include "mpi.h"
#include "math.h"
#include "stdlib.h"
#include "string.h"
#include <mpi.h>
#include <math.h>
#include <stdlib.h>
#include <string.h>
#include "balance.h"
#include "atom.h"
#include "comm.h"
@ -107,7 +107,7 @@ void Balance::command(int narg, char **arg)
int iarg = 1;
while (iarg < narg) {
if (strcmp(arg[iarg],"x") == 0) {
if (style != -1 && style != XYZ)
if (style != -1 && style != XYZ)
error->all(FLERR,"Illegal balance command");
style = XYZ;
if (strcmp(arg[iarg+1],"uniform") == 0) {
@ -127,7 +127,7 @@ void Balance::command(int narg, char **arg)
user_xsplit[procgrid[0]] = 1.0;
}
} else if (strcmp(arg[iarg],"y") == 0) {
if (style != -1 && style != XYZ)
if (style != -1 && style != XYZ)
error->all(FLERR,"Illegal balance command");
style = XYZ;
if (strcmp(arg[iarg+1],"uniform") == 0) {
@ -147,7 +147,7 @@ void Balance::command(int narg, char **arg)
user_ysplit[procgrid[1]] = 1.0;
}
} else if (strcmp(arg[iarg],"z") == 0) {
if (style != -1 && style != XYZ)
if (style != -1 && style != XYZ)
error->all(FLERR,"Illegal balance command");
style = XYZ;
if (strcmp(arg[iarg+1],"uniform") == 0) {
@ -237,7 +237,7 @@ void Balance::command(int narg, char **arg)
}
}
if (style == BISECTION && comm->style == 0)
if (style == BISECTION && comm->style == 0)
error->all(FLERR,"Balance rcb cannot be used with comm_style brick");
// insure atoms are in current box & update box via shrink-wrap
@ -510,14 +510,14 @@ int *Balance::bisection(int sortflag)
double *shrinkhi = &shrinkall[3];
// invoke RCB
// then invert() to create list of proc assignements for my atoms
// then invert() to create list of proc assignements for my atoms
//rcb->compute(dim,atom->nlocal,atom->x,NULL,boxlo,boxhi);
rcb->compute(dim,atom->nlocal,atom->x,NULL,shrinklo,shrinkhi);
rcb->invert(sortflag);
// reset RCB lo/hi bounding box to full simulation box as needed
double *lo = rcb->lo;
double *hi = rcb->hi;
@ -529,7 +529,7 @@ int *Balance::bisection(int sortflag)
if (hi[2] == shrinkhi[2]) hi[2] = boxhi[2];
// store RCB cut, dim, lo/hi box in CommTiled
// cut and lo/hi need to be in fractional form so can
// cut and lo/hi need to be in fractional form so can
// OK if changes by epsilon from what RCB used since particles
// will subsequently migrate to new owning procs by exchange() anyway
// ditto for particles exactly on lo/hi RCB box boundaries due to ties
@ -546,11 +546,11 @@ int *Balance::bisection(int sortflag)
mysplit[0][0] = (lo[0] - boxlo[0]) / prd[0];
if (hi[0] == boxhi[0]) mysplit[0][1] = 1.0;
else mysplit[0][1] = (hi[0] - boxlo[0]) / prd[0];
mysplit[1][0] = (lo[1] - boxlo[1]) / prd[1];
if (hi[1] == boxhi[1]) mysplit[1][1] = 1.0;
else mysplit[1][1] = (hi[1] - boxlo[1]) / prd[1];
mysplit[2][0] = (lo[2] - boxlo[2]) / prd[2];
if (hi[2] == boxhi[2]) mysplit[2][1] = 1.0;
else mysplit[2][1] = (hi[2] - boxlo[2]) / prd[2];
@ -941,7 +941,7 @@ void Balance::dumpout(bigint tstep, FILE *fp)
double **boxall;
memory->create(boxall,nprocs,6,"balance:dumpout");
MPI_Allgather(box,6,MPI_DOUBLE,&boxall[0][0],6,MPI_DOUBLE,world);
if (me) {
memory->destroy(boxall);
return;
@ -949,7 +949,7 @@ void Balance::dumpout(bigint tstep, FILE *fp)
// proc 0 writes out nodal coords
// some will be duplicates
double *boxlo = domain->boxlo;
double *boxhi = domain->boxhi;
@ -1036,7 +1036,7 @@ void Balance::dumpout(bigint tstep, FILE *fp)
fprintf(fp,"%d\n",nprocs);
if (dimension == 2) fprintf(fp,"ITEM: SQUARES\n");
else fprintf(fp,"ITEM: CUBES\n");
if (dimension == 2) {
int m = 0;
for (int i = 0; i < nprocs; i++) {