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add user option for performing message sorting during load balancing

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This commit is contained in:
Steve Plimpton
2023-03-06 09:48:33 -07:00
parent a67d82c183
commit 376c7899ab
6 changed files with 54 additions and 22 deletions
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32
src/balance.cpp
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@ -252,7 +252,7 @@ void Balance::command(int narg, char **arg)
// process remaining optional args
options(iarg,narg,arg);
options(iarg,narg,arg,1);
if (wtflag) weight_storage(nullptr);
// ensure particles are in current box & update box via shrink-wrap
@ -344,7 +344,7 @@ void Balance::command(int narg, char **arg)
if (style == BISECTION) {
comm->layout = Comm::LAYOUT_TILED;
bisection(1);
bisection();
}
// reset proc sub-domains
@ -359,8 +359,8 @@ void Balance::command(int narg, char **arg)
if (domain->triclinic) domain->x2lamda(atom->nlocal);
auto irregular = new Irregular(lmp);
if (wtflag) fixstore->disable = 0;
if (style == BISECTION) irregular->migrate_atoms(1,1,rcb->sendproc);
else irregular->migrate_atoms(1);
if (style == BISECTION) irregular->migrate_atoms(sortflag,1,rcb->sendproc);
else irregular->migrate_atoms(sortflag);
delete irregular;
if (domain->triclinic) domain->lamda2x(atom->nlocal);
@ -421,9 +421,10 @@ void Balance::command(int narg, char **arg)
/* ----------------------------------------------------------------------
process optional command args for Balance and FixBalance
sortflag_default is different for the 2 classes
------------------------------------------------------------------------- */
void Balance::options(int iarg, int narg, char **arg)
void Balance::options(int iarg, int narg, char **arg, int sortflag_default)
{
// count max number of weight settings
@ -435,10 +436,11 @@ void Balance::options(int iarg, int narg, char **arg)
wtflag = 0;
varflag = 0;
oldrcb = 0;
sortflag = sortflag_default;
outflag = 0;
int outarg = 0;
fp = nullptr;
oldrcb = 0;
while (iarg < narg) {
if (strcmp(arg[iarg],"weight") == 0) {
@ -471,14 +473,20 @@ void Balance::options(int iarg, int narg, char **arg)
}
iarg += 2+nopt;
} else if (strcmp(arg[iarg],"old") == 0) {
oldrcb = 1;
iarg++;
} else if (strcmp(arg[iarg+1],"sort") == 0) {
if (iarg+2 > narg) utils::missing_cmd_args(FLERR, "balance sort", error);
sortflag = utils::logical(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"out") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal (fix) balance command");
outflag = 1;
outarg = iarg+1;
iarg += 2;
} else if (strcmp(arg[iarg],"old") == 0) {
oldrcb = 1;
iarg++;
} else error->all(FLERR,"Illegal (fix) balance command");
}
@ -569,11 +577,10 @@ double Balance::imbalance_factor(double &maxcost)
/* ----------------------------------------------------------------------
perform balancing via RCB class
sortflag = flag for sorting order of received messages by proc ID
return list of procs to send my atoms to
------------------------------------------------------------------------- */
int *Balance::bisection(int sortflag)
int *Balance::bisection()
{
if (!rcb) rcb = new RCB(lmp);
@ -641,6 +648,7 @@ int *Balance::bisection(int sortflag)
// invoke RCB
// then invert() to create list of proc assignments for my atoms
// sortflag = flag for sorting order of received messages by proc ID
// if triclinic, RCB operates on lamda coords
// NOTE: (3/2017) can remove undocumented "old" option at some point
// ditto in rcb.cpp, or make it an option
@ -658,7 +666,7 @@ int *Balance::bisection(int sortflag)
}
if (triclinic) domain->lamda2x(nlocal);
rcb->invert(sortflag);
// reset RCB lo/hi bounding box to full simulation box as needed