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distsh.h

00001 // 00002 // distsh.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 // Maintainer: LPS 00009 // 00010 // This file is part of the SC Toolkit. 00011 // 00012 // The SC Toolkit is free software; you can redistribute it and/or modify 00013 // it under the terms of the GNU Library General Public License as published by 00014 // the Free Software Foundation; either version 2, or (at your option) 00015 // any later version. 00016 // 00017 // The SC Toolkit is distributed in the hope that it will be useful, 00018 // but WITHOUT ANY WARRANTY; without even the implied warranty of 00019 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00020 // GNU Library General Public License for more details. 00021 // 00022 // You should have received a copy of the GNU Library General Public License 00023 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to 00024 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA. 00025 // 00026 // The U.S. Government is granted a limited license as per AL 91-7. 00027 // 00028 00029 #ifndef _chemistry_qc_mbptr12_distsh_h 00030 #define _chemistry_qc_mbptr12_distsh_h 00031 00032 #ifdef __GNUC__ 00033 #pragma interface 00034 #endif 00035 00036 #include <util/misc/regtime.h> 00037 #include <util/group/message.h> 00038 #include <util/group/thread.h> 00039 #include <chemistry/qc/basis/basis.h> 00040 00041 namespace sc { 00042 00044 class DistShellPairR12 { 00045 private: 00046 Ref<MessageGrp> msg_; 00047 int nthread_; 00048 Ref<ThreadLock> lock_; 00049 Ref<GaussianBasisSet> bs1_; 00050 Ref<GaussianBasisSet> bs2_; 00051 bool bs1_eq_bs2_; 00052 int dynamic_; 00053 int debug_; 00054 int print_percent_; 00055 00056 // for dynamic load balancing 00057 int req_type_; 00058 int ans_type_; 00059 int ncpu_less_0_; 00060 void serve_tasks(); 00061 00062 // for static load balancing 00063 int S_, R_; 00064 int ncpu_; 00065 int incS_, incR_; 00066 int mythread_; 00067 int ntask_; 00068 int print_interval_; 00069 int print_index_; 00070 public: 00076 DistShellPairR12(const Ref<MessageGrp> &, int nthread, int mythread, 00077 const Ref<ThreadLock>& lock, 00078 const Ref<GaussianBasisSet>& bs1, const Ref<GaussianBasisSet>& bs2); 00079 ~DistShellPairR12(); 00081 void init(); 00083 void set_dynamic(int d); 00085 void set_debug(int d) { debug_ = d; } 00087 void set_print_percent(int p) { print_percent_ = p; } 00095 int get_task(int &P, int &Q); 00096 }; 00097 00098 } 00099 00100 #endif 00101 00102 // ////////////////////////////////////////////////////////////////////////// 00103 00104 // Local Variables: 00105 // mode: c++ 00106 // c-file-style: "CLJ-CONDENSED" 00107 // End:

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