MPQC 2.3.1
distshpair.h
1//
2// distshpair.h
3// based on mbpt/distsh.h
4//
5// Copyright (C) 1996 Limit Point Systems, Inc.
6//
7// Author: Ida Nielsen <ida@kemi.aau.dk>
8// Updated: Edward Valeev <edward.valeev@chemistry.gatech.edu>
9// Maintainer: LPS
10//
11// This file is part of the SC Toolkit.
12//
13// The SC Toolkit is free software; you can redistribute it and/or modify
14// it under the terms of the GNU Library General Public License as published by
15// the Free Software Foundation; either version 2, or (at your option)
16// any later version.
17//
18// The SC Toolkit is distributed in the hope that it will be useful,
19// but WITHOUT ANY WARRANTY; without even the implied warranty of
20// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
21// GNU Library General Public License for more details.
22//
23// You should have received a copy of the GNU Library General Public License
24// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
25// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
26//
27// The U.S. Government is granted a limited license as per AL 91-7.
28//
29
30#ifndef _chemistry_qc_basis_distshpair_h
31#define _chemistry_qc_basis_distshpair_h
32
33#ifdef __GNUC__
34#pragma interface
35#endif
36
37#include <util/misc/regtime.h>
38#include <util/group/message.h>
39#include <util/group/thread.h>
40#include <chemistry/qc/basis/basis.h>
41
42using namespace sc;
43
44namespace sc {
45
48 public:
52 class SharedData {
53 public:
54 volatile long int shellpair_;
60 void init() { shellpair_ = 0; }
61 };
62 private:
63 Ref<MessageGrp> msg_;
64 int nthread_;
65 Ref<ThreadLock> lock_;
68 bool bs1_eq_bs2_;
69 bool task_dynamic_;
70 bool thread_dynamic_;
71 int debug_;
72 // How often updates are printed (i.e. every 10% of total work)
73 double print_percent_;
74 SharedData *shared_;
75
76 // Number of tasks handled by thread 0 in task 0:
77 // if dynamic == true : it will distribute all of them
78 // if dynamic == false : it will handle its share
79 long int ntask_;
80 // Print period
81 long int print_interval_;
82 // Index of the next task to be served
83 long int current_shellpair_;
84
85 // for dynamic load balancing
86 int req_type_;
87 int ans_type_;
88 int ncpu_less_0_;
89 void serve_tasks();
90
91 // for static load balancing
92 int S_, R_; // NOTE: S is in bs1, R is in bs2
93 int ncpu_;
94 int incS_, incR_;
95 int mythread_;
96
97 // sorted work for dynamic load balancing
98 int *cost_;
99 int *Svec_;
100 int *Rvec_;
101 int *Ivec_;
102
103 void init_dynamic_work();
104 public:
108 DistShellPair(const Ref<MessageGrp> &, int nthread, int mythread,
109 const Ref<ThreadLock>& lock,
110 const Ref<GaussianBasisSet>& bs1, const Ref<GaussianBasisSet>& bs2,
111 bool dynamic, SharedData *shared = 0);
114 void init();
116 void set_debug(int d) { debug_ = d; }
118 void set_print_percent(double p);
126 int get_task(int &P, int &Q);
127};
128
129}
130
131#endif
132
133// //////////////////////////////////////////////////////////////////////////
134
135// Local Variables:
136// mode: c++
137// c-file-style: "CLJ-CONDENSED"
138// End:
This is used to store data that must be shared between all cooperating shell pairs.
Definition distshpair.h:52
void init()
If this will be used to iterate through the shells again, then init must be called.
Definition distshpair.h:60
SharedData()
Construct and initialize.
Definition distshpair.h:56
Distributes shell pairs either statically or dynamically.
Definition distshpair.h:47
void init()
Resets to the first shell pair.
DistShellPair(const Ref< MessageGrp > &, int nthread, int mythread, const Ref< ThreadLock > &lock, const Ref< GaussianBasisSet > &bs1, const Ref< GaussianBasisSet > &bs2, bool dynamic, SharedData *shared=0)
The DistShellPair class is used to distribute shell pair indices among tasks.
void set_debug(int d)
How much stuff to print out.
Definition distshpair.h:116
int get_task(int &P, int &Q)
Puts the current PQ shell pair into P and Q and returns 1.
void set_print_percent(double p)
How often to print status from node 0.
A template class that maintains references counts.
Definition ref.h:332

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