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// based on mbpt/distsh.h
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// Copyright (C) 1996 Limit Point Systems, Inc.
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// Author: Ida Nielsen <ida@kemi.aau.dk>
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// Updated: Edward Valeev <edward.valeev@chemistry.gatech.edu>
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// This file is part of the SC Toolkit.
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// The SC Toolkit is free software; you can redistribute it and/or modify
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// it under the terms of the GNU Library General Public License as published by
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// the Free Software Foundation; either version 2, or (at your option)
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// The SC Toolkit is distributed in the hope that it will be useful,
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// but WITHOUT ANY WARRANTY; without even the implied warranty of
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// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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// GNU Library General Public License for more details.
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// You should have received a copy of the GNU Library General Public License
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// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
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// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
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// The U.S. Government is granted a limited license as per AL 91-7.
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#ifndef _chemistry_qc_basis_distshpair_h
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#define _chemistry_qc_basis_distshpair_h
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#include <util/misc/regtime.h>
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#include <util/group/message.h>
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#include <util/group/thread.h>
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#include <chemistry/qc/basis/basis.h>
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/// Distributes shell pairs either statically or dynamically.
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/** This is used to store data that must be shared between all
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* cooperating shell pairs.
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volatile long int shellpair_;
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/// Construct and initialize.
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SharedData() { init(); }
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/** If this will be used to iterate through the shells again,
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* then init must be called.
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void init() { shellpair_ = 0; }
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Ref<ThreadLock> lock_;
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Ref<GaussianBasisSet> bs1_;
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Ref<GaussianBasisSet> bs2_;
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// How often updates are printed (i.e. every 10% of total work)
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double print_percent_;
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// Number of tasks handled by thread 0 in task 0:
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// if dynamic == true : it will distribute all of them
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// if dynamic == false : it will handle its share
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long int print_interval_;
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// Index of the next task to be served
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long int current_shellpair_;
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// for dynamic load balancing
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// for static load balancing
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int S_, R_; // NOTE: S is in bs1, R is in bs2
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// sorted work for dynamic load balancing
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void init_dynamic_work();
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/** The DistShellPair class is used to distribute shell pair indices among tasks.
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Both static (round-robin) and dynamic methods are supported. */
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DistShellPair(const Ref<MessageGrp> &, int nthread, int mythread,
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const Ref<ThreadLock>& lock,
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const Ref<GaussianBasisSet>& bs1, const Ref<GaussianBasisSet>& bs2,
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bool dynamic, SharedData *shared = 0);
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/// Resets to the first shell pair.
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/// How much stuff to print out.
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void set_debug(int d) { debug_ = d; }
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/// How often to print status from node 0.
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void set_print_percent(double p);
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/** Puts the current PQ shell pair into P and Q and returns 1.
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When there are no more shell pairs to be processed by this processor,
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0 is returned. Once we start doing get_tasks, we have to go to the
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end if dynamic load balancing is used.
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P belongs to bs1, and Q belongs to bs2. If (bs1 == bs2) then
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P is greater or equal to Q. */
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int get_task(int &P, int &Q);
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// //////////////////////////////////////////////////////////////////////////
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// c-file-style: "CLJ-CONDENSED"
added
removed
src/lib/chemistry/qc/basis/distshpair.h
