/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories LAMMPS development team: developers@lammps.org Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #include "imbalance_time.h" #include "atom.h" #include "error.h" #include "timer.h" using namespace LAMMPS_NS; #define BIG 1.0e20 /* -------------------------------------------------------------------- */ ImbalanceTime::ImbalanceTime(LAMMPS *lmp) : Imbalance(lmp) {} /* -------------------------------------------------------------------- */ int ImbalanceTime::options(int narg, char **arg) { if (narg < 1) error->all(FLERR, "Illegal balance weight command"); factor = utils::numeric(FLERR, arg[0], false, lmp); if (factor <= 0.0) error->all(FLERR, "Illegal balance weight command"); return 1; } /* ---------------------------------------------------------------------- reset last and timers if necessary ------------------------------------------------------------------------- */ void ImbalanceTime::init(int flag) { last = 0.0; // flag = 1 if called from FixBalance at start of run // init Timer, so accumulated time not carried over from previous run // should NOT init Timer if called from Balance, it uses time from last run if (flag) timer->init(); } /* -------------------------------------------------------------------- */ void ImbalanceTime::compute(double *weight) { if (!timer->has_normal()) return; // cost = CPU time for relevant timers since last invocation // localwt = weight assigned to each owned atom // just return if no time yet tallied // we 0.1 seconds as a minimum time to avoid computation of bogus // load balancing weights due to limited timer resolution/precision double cost = -last; cost += timer->get_wall(Timer::PAIR); cost += timer->get_wall(Timer::NEIGH); cost += timer->get_wall(Timer::BOND); cost += timer->get_wall(Timer::KSPACE); cost += 0.1; double maxcost; MPI_Allreduce(&cost, &maxcost, 1, MPI_DOUBLE, MPI_MAX, world); if (maxcost <= 0.1) return; int nlocal = atom->nlocal; double localwt = 0.0; if (nlocal) localwt = cost / nlocal; if (nlocal && localwt <= 0.0) error->one(FLERR, "Balance weight <= 0.0"); // apply factor if specified != 1.0 // wtlo,wthi = lo/hi values excluding 0.0 due to no atoms on this proc // lo value does not change // newhi = new hi value to give hi/lo ratio factor times larger/smaller // expand/contract all localwt values from lo->hi to lo->newhi if (factor != 1.0) { double wtlo, wthi; if (localwt == 0.0) localwt = BIG; MPI_Allreduce(&localwt, &wtlo, 1, MPI_DOUBLE, MPI_MIN, world); if (localwt == BIG) localwt = 0.0; MPI_Allreduce(&localwt, &wthi, 1, MPI_DOUBLE, MPI_MAX, world); if (wtlo == wthi) return; double newhi = wthi * factor; localwt = wtlo + ((localwt - wtlo) / (wthi - wtlo)) * (newhi - wtlo); } for (int i = 0; i < nlocal; i++) weight[i] *= localwt; // record time up to this point last += cost; } /* -------------------------------------------------------------------- */ std::string ImbalanceTime::info() { return fmt::format(" time weight factor: {}\n", factor); }