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# distshpair.h

    00001 //
    00002 // distshpair.h
    00003 // based on mbpt/distsh.h
    00004 //
    00005 // Copyright (C) 1996 Limit Point Systems, Inc.
    00006 //
    00007 // Author: Ida Nielsen <ida@kemi.aau.dk>
    00008 // Updated: Edward Valeev <edward.valeev@chemistry.gatech.edu>
    00009 // Maintainer: LPS
    00010 //
    00011 // This file is part of the SC Toolkit.
    00012 //
    00013 // The SC Toolkit is free software; you can redistribute it and/or modify
    00014 // it under the terms of the GNU Library General Public License as published by
    00015 // the Free Software Foundation; either version 2, or (at your option)
    00016 // any later version.
    00017 //
    00018 // The SC Toolkit is distributed in the hope that it will be useful,
    00019 // but WITHOUT ANY WARRANTY; without even the implied warranty of
    00020 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    00021 // GNU Library General Public License for more details.
    00022 //
    00023 // You should have received a copy of the GNU Library General Public License
    00024 // along with the SC Toolkit; see the file COPYING.LIB.  If not, write to
    00025 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
    00026 //
    00027 // The U.S. Government is granted a limited license as per AL 91-7.
    00028 //
    00029
    00030 #ifndef _chemistry_qc_basis_distshpair_h
    00031 #define _chemistry_qc_basis_distshpair_h
    00032
    00033 #ifdef __GNUC__
    00034 #pragma interface
    00035 #endif
    00036
    00037 #include <util/misc/regtime.h>
    00038 #include <util/group/message.h>
    00039 #include <util/group/thread.h>
    00040 #include <chemistry/qc/basis/basis.h>
    00041
    00042 using namespace sc;
    00043
    00044 namespace sc {
    00045
    00047 class DistShellPair {
    00048   public:
    00052      class SharedData {
    00053        public:
    00054          volatile long int shellpair_;
    00056          SharedData() { init(); }
    00060          void init() { shellpair_ = 0; }
    00061      };
    00062   private:
    00063     Ref<MessageGrp> msg_;
    00064     int nthread_;
    00065     Ref<ThreadLock> lock_;
    00066     Ref<GaussianBasisSet> bs1_;
    00067     Ref<GaussianBasisSet> bs2_;
    00068     bool bs1_eq_bs2_;
    00069     bool task_dynamic_;
    00070     bool thread_dynamic_;
    00071     int debug_;
    00072     // How often updates are printed (i.e. every 10% of total work)
    00073     double print_percent_;
    00074     SharedData *shared_;
    00075
    00076     // Number of tasks handled by thread 0 in task 0:
    00077     // if dynamic == true : it will distribute all of them
    00078     // if dynamic == false : it will handle its share
    00079     long int ntask_;
    00080     // Print period
    00081     long int print_interval_;
    00082     // Index of the next task to be served
    00083     long int current_shellpair_;
    00084
    00085     // for dynamic load balancing
    00086     int req_type_;
    00087     int ans_type_;
    00088     int ncpu_less_0_;
    00089     void serve_tasks();
    00090
    00091     // for static load balancing
    00092     int S_, R_;          // NOTE: S is in bs1, R is in bs2
    00093     int ncpu_;
    00094     int incS_, incR_;
    00095     int mythread_;
    00096
    00097     // sorted work for dynamic load balancing
    00098     int *cost_;
    00099     int *Svec_;
    00100     int *Rvec_;
    00101     int *Ivec_;
    00102
    00103     void init_dynamic_work();
    00104   public:
    00108     DistShellPair(const Ref<MessageGrp> &, int nthread, int mythread,
    00109                   const Ref<ThreadLock>& lock,
    00110                   const Ref<GaussianBasisSet>& bs1, const Ref<GaussianBasisSet>& bs2,
    00111                   bool dynamic, SharedData *shared = 0);
    00112     ~DistShellPair();
    00114     void init();
    00116     void set_debug(int d) { debug_ = d; }
    00118     void set_print_percent(double p);
    00126     int get_task(int &P, int &Q);
    00127 };
    00128
    00129 }
    00130
    00131 #endif
    00132
    00133 // //////////////////////////////////////////////////////////////////////////
    00134
    00135 // Local Variables:
    00136 // mode: c++
    00137 // c-file-style: "CLJ-CONDENSED"
    00138 // End: