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2 small bug fixes to load balancing

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This commit is contained in:
Steven J. Plimpton
2018-07-11 15:55:16 -06:00
parent f288331874
commit b31f0245d0
4 changed files with 26 additions and 11 deletions
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13
src/fix_balance.cpp
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@ -114,6 +114,7 @@ FixBalance::FixBalance(LAMMPS *lmp, int narg, char **arg) :
if (nevery) force_reneighbor = 1;
lastbalance = -1;
next_reneighbor = -1;
// compute initial outputs
@ -248,6 +249,10 @@ void FixBalance::pre_neighbor()
if (!pending) return;
imbfinal = balance->imbalance_factor(maxloadperproc);
pending = 0;
// set disable = 1, so weights no longer migrate with atoms
if (wtflag) balance->fixstore->disable = 1;
}
/* ----------------------------------------------------------------------
@ -275,21 +280,23 @@ void FixBalance::rebalance()
// reset proc sub-domains
// check and warn if any proc's subbox is smaller than neigh skin
// since may lead to lost atoms in exchange()
// since may lead to lost atoms in comm->exchange()
if (domain->triclinic) domain->set_lamda_box();
domain->set_local_box();
domain->subbox_too_small_check(neighbor->skin);
// move atoms to new processors via irregular()
// only needed if migrate_check() says an atom moves to far
// for non-RCB only needed if migrate_check() says an atom moves too far
// else allow caller's comm->exchange() to do it
// set disable = 0, so weights migrate with atoms
// important to delay disable = 1 until after pre_neighbor imbfinal calc
// b/c atoms may migrate again in comm->exchange()
if (domain->triclinic) domain->x2lamda(atom->nlocal);
if (wtflag) balance->fixstore->disable = 0;
if (lbstyle == BISECTION) irregular->migrate_atoms(0,1,sendproc);
else if (irregular->migrate_check()) irregular->migrate_atoms();
if (wtflag) balance->fixstore->disable = 1;
if (domain->triclinic) domain->lamda2x(atom->nlocal);
// invoke KSpace setup_grid() to adjust to new proc sub-domains