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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11978 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-05-13 15:23:13 +00:00
parent d17e06c479
commit 6c06a66ae7
25 changed files with 512 additions and 2004 deletions
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214
src/balance.cpp
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@ -30,7 +30,8 @@
using namespace LAMMPS_NS;
enum{NONE,UNIFORM,USER,DYNAMIC};
enum{XYZ,SHIFT,RCB};
enum{NONE,UNIFORM,USER};
enum{X,Y,Z};
/* ---------------------------------------------------------------------- */
@ -44,7 +45,7 @@ Balance::Balance(LAMMPS *lmp) : Pointers(lmp)
memory->create(allproccount,nprocs,"balance:allproccount");
user_xsplit = user_ysplit = user_zsplit = NULL;
dflag = 0;
shift_allocate = 0;
fp = NULL;
firststep = 1;
@ -61,7 +62,7 @@ Balance::~Balance()
delete [] user_ysplit;
delete [] user_zsplit;
if (dflag) {
if (shift_allocate) {
delete [] bdim;
delete [] count;
delete [] sum;
@ -89,18 +90,21 @@ void Balance::command(int narg, char **arg)
// parse arguments
if (narg < 1) error->all(FLERR,"Illegal balance command");
if (narg < 2) error->all(FLERR,"Illegal balance command");
thresh = force->numeric(FLERR,arg[0]);
int dimension = domain->dimension;
int *procgrid = comm->procgrid;
style = -1;
xflag = yflag = zflag = NONE;
dflag = 0;
outflag = 0;
int iarg = 0;
int iarg = 1;
while (iarg < narg) {
if (strcmp(arg[iarg],"x") == 0) {
if (xflag == DYNAMIC) error->all(FLERR,"Illegal balance command");
if (style != -1 && style != XYZ)
error->all(FLERR,"Illegal balance command");
style = XYZ;
if (strcmp(arg[iarg+1],"uniform") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal balance command");
xflag = UNIFORM;
@ -118,7 +122,9 @@ void Balance::command(int narg, char **arg)
user_xsplit[procgrid[0]] = 1.0;
}
} else if (strcmp(arg[iarg],"y") == 0) {
if (yflag == DYNAMIC) error->all(FLERR,"Illegal balance command");
if (style != -1 && style != XYZ)
error->all(FLERR,"Illegal balance command");
style = XYZ;
if (strcmp(arg[iarg+1],"uniform") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal balance command");
yflag = UNIFORM;
@ -136,7 +142,9 @@ void Balance::command(int narg, char **arg)
user_ysplit[procgrid[1]] = 1.0;
}
} else if (strcmp(arg[iarg],"z") == 0) {
if (zflag == DYNAMIC) error->all(FLERR,"Illegal balance command");
if (style != -1 && style != XYZ)
error->all(FLERR,"Illegal balance command");
style = XYZ;
if (strcmp(arg[iarg+1],"uniform") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal balance command");
zflag = UNIFORM;
@ -154,22 +162,32 @@ void Balance::command(int narg, char **arg)
user_zsplit[procgrid[2]] = 1.0;
}
} else if (strcmp(arg[iarg],"dynamic") == 0) {
if (xflag != NONE || yflag != NONE || zflag != NONE)
error->all(FLERR,"Illegal balance command");
} else if (strcmp(arg[iarg],"shift") == 0) {
if (style != -1) error->all(FLERR,"Illegal balance command");
if (iarg+4 > narg) error->all(FLERR,"Illegal balance command");
dflag = 1;
xflag = yflag = DYNAMIC;
if (dimension == 3) zflag = DYNAMIC;
style = SHIFT;
if (strlen(arg[iarg+1]) > 3) error->all(FLERR,"Illegal balance command");
strcpy(bstr,arg[iarg+1]);
nitermax = force->inumeric(FLERR,arg[iarg+2]);
if (nitermax <= 0) error->all(FLERR,"Illegal balance command");
thresh = force->numeric(FLERR,arg[iarg+3]);
if (thresh < 1.0) error->all(FLERR,"Illegal balance command");
stopthresh = force->numeric(FLERR,arg[iarg+3]);
if (stopthresh < 1.0) error->all(FLERR,"Illegal balance command");
iarg += 4;
} else if (strcmp(arg[iarg],"out") == 0) {
} else if (strcmp(arg[iarg],"rcb") == 0) {
if (style != -1) error->all(FLERR,"Illegal balance command");
style = RCB;
iarg++;
} else break;
}
// optional keywords
outflag = 0;
while (iarg < narg) {
if (strcmp(arg[iarg],"out") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal balance command");
if (outflag) error->all(FLERR,"Illegal balance command");
outflag = 1;
@ -183,50 +201,58 @@ void Balance::command(int narg, char **arg)
// error check
if (zflag && dimension == 2)
error->all(FLERR,"Cannot balance in z dimension for 2d simulation");
if (style == XYZ) {
if (zflag != NONE && dimension == 2)
error->all(FLERR,"Cannot balance in z dimension for 2d simulation");
if (xflag == USER)
for (int i = 1; i <= procgrid[0]; i++)
if (user_xsplit[i-1] >= user_xsplit[i])
error->all(FLERR,"Illegal balance command");
if (yflag == USER)
for (int i = 1; i <= procgrid[1]; i++)
if (user_ysplit[i-1] >= user_ysplit[i])
error->all(FLERR,"Illegal balance command");
if (zflag == USER)
for (int i = 1; i <= procgrid[2]; i++)
if (user_zsplit[i-1] >= user_zsplit[i])
error->all(FLERR,"Illegal balance command");
if (xflag == USER)
for (int i = 1; i <= procgrid[0]; i++)
if (user_xsplit[i-1] >= user_xsplit[i])
error->all(FLERR,"Illegal balance command");
if (yflag == USER)
for (int i = 1; i <= procgrid[1]; i++)
if (user_ysplit[i-1] >= user_ysplit[i])
error->all(FLERR,"Illegal balance command");
if (zflag == USER)
for (int i = 1; i <= procgrid[2]; i++)
if (user_zsplit[i-1] >= user_zsplit[i])
error->all(FLERR,"Illegal balance command");
}
if (dflag) {
if (style == SHIFT) {
const int blen=strlen(bstr);
for (int i = 0; i < blen; i++) {
if (bstr[i] != 'x' && bstr[i] != 'y' && bstr[i] != 'z')
error->all(FLERR,"Balance dynamic string is invalid");
error->all(FLERR,"Balance shift string is invalid");
if (bstr[i] == 'z' && dimension == 2)
error->all(FLERR,"Balance dynamic string is invalid");
error->all(FLERR,"Balance shift string is invalid");
for (int j = i+1; j < blen; j++)
if (bstr[i] == bstr[j])
error->all(FLERR,"Balance dynamic string is invalid");
error->all(FLERR,"Balance shift string is invalid");
}
}
// insure atoms are in current box & update box via shrink-wrap
// no exchange() since doesn't matter if atoms are assigned to correct procs
// init entire system since comm->setup is done
// comm::init needs neighbor::init needs pair::init needs kspace::init, etc
lmp->init();
if (domain->triclinic) domain->x2lamda(atom->nlocal);
domain->pbc();
domain->reset_box();
comm->setup();
comm->exchange();
if (domain->triclinic) domain->lamda2x(atom->nlocal);
// imbinit = initial imbalance
// use current splits instead of nlocal since atoms may not be in sub-box
domain->x2lamda(atom->nlocal);
int maxinit;
double imbinit = imbalance_splits(maxinit);
domain->lamda2x(atom->nlocal);
double imbinit = imbalance_nlocal(maxinit);
// no load-balance if imbalance doesn't exceed threshhold
if (imbinit < thresh) return;
// debug output of initial state
@ -236,40 +262,55 @@ void Balance::command(int narg, char **arg)
int niter = 0;
// explicit setting of sub-domain sizes
// NOTE: if using XYZ or SHIFT and current partition is TILING,
// then need to create initial BRICK partition before performing LB
if (xflag == UNIFORM) {
for (int i = 0; i < procgrid[0]; i++)
comm->xsplit[i] = i * 1.0/procgrid[0];
comm->xsplit[procgrid[0]] = 1.0;
// perform load-balance
// style XYZ = explicit setting of cutting planes of logical 3d grid
if (style == XYZ) {
if (xflag == UNIFORM) {
for (int i = 0; i < procgrid[0]; i++)
comm->xsplit[i] = i * 1.0/procgrid[0];
comm->xsplit[procgrid[0]] = 1.0;
}
if (yflag == UNIFORM) {
for (int i = 0; i < procgrid[1]; i++)
comm->ysplit[i] = i * 1.0/procgrid[1];
comm->ysplit[procgrid[1]] = 1.0;
}
if (zflag == UNIFORM) {
for (int i = 0; i < procgrid[2]; i++)
comm->zsplit[i] = i * 1.0/procgrid[2];
comm->zsplit[procgrid[2]] = 1.0;
}
if (xflag == USER)
for (int i = 0; i <= procgrid[0]; i++) comm->xsplit[i] = user_xsplit[i];
if (yflag == USER)
for (int i = 0; i <= procgrid[1]; i++) comm->ysplit[i] = user_ysplit[i];
if (zflag == USER)
for (int i = 0; i <= procgrid[2]; i++) comm->zsplit[i] = user_zsplit[i];
}
if (yflag == UNIFORM) {
for (int i = 0; i < procgrid[1]; i++)
comm->ysplit[i] = i * 1.0/procgrid[1];
comm->ysplit[procgrid[1]] = 1.0;
}
// style SHIFT = adjust cutting planes of logical 3d grid
if (zflag == UNIFORM) {
for (int i = 0; i < procgrid[2]; i++)
comm->zsplit[i] = i * 1.0/procgrid[2];
comm->zsplit[procgrid[2]] = 1.0;
}
if (xflag == USER)
for (int i = 0; i <= procgrid[0]; i++) comm->xsplit[i] = user_xsplit[i];
if (yflag == USER)
for (int i = 0; i <= procgrid[1]; i++) comm->ysplit[i] = user_ysplit[i];
if (zflag == USER)
for (int i = 0; i <= procgrid[2]; i++) comm->zsplit[i] = user_zsplit[i];
// static load-balance of sub-domain sizes
if (dflag) {
if (style == SHIFT) {
static_setup(bstr);
niter = dynamic();
niter = shift();
}
// style RCB =
if (style == RCB) {
error->all(FLERR,"Balance rcb is not yet supported");
if (comm->style == 0)
error->all(FLERR,"Cannot use balance rcb with comm_style brick");
}
// output of final result
@ -279,15 +320,18 @@ void Balance::command(int narg, char **arg)
// reset comm->uniform flag if necessary
if (comm->uniform) {
if (xflag == USER || xflag == DYNAMIC) comm->uniform = 0;
if (yflag == USER || yflag == DYNAMIC) comm->uniform = 0;
if (zflag == USER || zflag == DYNAMIC) comm->uniform = 0;
if (style == SHIFT) comm->uniform = 0;
if (style == XYZ && xflag == USER) comm->uniform = 0;
if (style == XYZ && yflag == USER) comm->uniform = 0;
if (style == XYZ && zflag == USER) comm->uniform = 0;
} else {
if (dimension == 3) {
if (xflag == UNIFORM && yflag == UNIFORM && zflag == UNIFORM)
if (style == XYZ &&
xflag == UNIFORM && yflag == UNIFORM && zflag == UNIFORM)
comm->uniform = 1;
} else {
if (xflag == UNIFORM && yflag == UNIFORM) comm->uniform = 1;
if (style == XYZ && xflag == UNIFORM && yflag == UNIFORM)
comm->uniform = 1;
}
}
@ -431,6 +475,8 @@ double Balance::imbalance_splits(int &max)
void Balance::static_setup(char *str)
{
shift_allocate = 1;
ndim = strlen(str);
bdim = new int[ndim];
@ -456,17 +502,16 @@ void Balance::static_setup(char *str)
}
/* ----------------------------------------------------------------------
setup dynamic load balance operations
setup shift load balance operations
called from fix balance
set rho = 1 for dynamic balancing after call to dynamic_setup()
set rho = 1 for shift balancing after call to shift_setup()
------------------------------------------------------------------------- */
void Balance::dynamic_setup(char *str, int nitermax_in, double thresh_in)
void Balance::shift_setup(char *str, int nitermax_in, double thresh_in)
{
dflag = 1;
static_setup(str);
nitermax = nitermax_in;
thresh = thresh_in;
stopthresh = thresh_in;
rho = 1;
}
@ -477,7 +522,7 @@ void Balance::dynamic_setup(char *str, int nitermax_in, double thresh_in)
return niter = iteration count
------------------------------------------------------------------------- */
int Balance::dynamic()
int Balance::shift()
{
int i,j,k,m,np,max;
double *split = NULL;
@ -490,7 +535,7 @@ int Balance::dynamic()
// set delta for 1d balancing = root of threshhold
// root = # of dimensions being balanced on
double delta = pow(thresh,1.0/ndim) - 1.0;
double delta = pow(stopthresh,1.0/ndim) - 1.0;
int *procgrid = comm->procgrid;
// all balancing done in lamda coords
@ -624,7 +669,7 @@ int Balance::dynamic()
// this is a true 3d test of particle count per processor
double imbfactor = imbalance_splits(max);
if (imbfactor <= thresh) break;
if (imbfactor <= stopthresh) break;
}
// restore real coords
@ -867,6 +912,7 @@ void Balance::dumpout(bigint tstep, FILE *bfp)
debug output for Idim and count
only called by proc 0
------------------------------------------------------------------------- */
#ifdef BALANCE_DEBUG
void Balance::debug_output(int idim, int m, int np, double *split)
{