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<h1>distshpair.h</h1><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001 <span class="comment">//</span>
<a name="l00002"></a>00002 <span class="comment">// distshpair.h</span>
<a name="l00003"></a>00003 <span class="comment">// based on mbpt/distsh.h</span>
<a name="l00004"></a>00004 <span class="comment">//</span>
<a name="l00005"></a>00005 <span class="comment">// Copyright (C) 1996 Limit Point Systems, Inc.</span>
<a name="l00006"></a>00006 <span class="comment">//</span>
<a name="l00007"></a>00007 <span class="comment">// Author: Ida Nielsen <ida@kemi.aau.dk></span>
<a name="l00008"></a>00008 <span class="comment">// Updated: Edward Valeev <edward.valeev@chemistry.gatech.edu></span>
<a name="l00009"></a>00009 <span class="comment">// Maintainer: LPS</span>
<a name="l00010"></a>00010 <span class="comment">//</span>
<a name="l00011"></a>00011 <span class="comment">// This file is part of the SC Toolkit.</span>
<a name="l00012"></a>00012 <span class="comment">//</span>
<a name="l00013"></a>00013 <span class="comment">// The SC Toolkit is free software; you can redistribute it and/or modify</span>
<a name="l00014"></a>00014 <span class="comment">// it under the terms of the GNU Library General Public License as published by</span>
<a name="l00015"></a>00015 <span class="comment">// the Free Software Foundation; either version 2, or (at your option)</span>
<a name="l00016"></a>00016 <span class="comment">// any later version.</span>
<a name="l00017"></a>00017 <span class="comment">//</span>
<a name="l00018"></a>00018 <span class="comment">// The SC Toolkit is distributed in the hope that it will be useful,</span>
<a name="l00019"></a>00019 <span class="comment">// but WITHOUT ANY WARRANTY; without even the implied warranty of</span>
<a name="l00020"></a>00020 <span class="comment">// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</span>
<a name="l00021"></a>00021 <span class="comment">// GNU Library General Public License for more details.</span>
<a name="l00022"></a>00022 <span class="comment">//</span>
<a name="l00023"></a>00023 <span class="comment">// You should have received a copy of the GNU Library General Public License</span>
<a name="l00024"></a>00024 <span class="comment">// along with the SC Toolkit; see the file COPYING.LIB. If not, write to</span>
<a name="l00025"></a>00025 <span class="comment">// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.</span>
<a name="l00026"></a>00026 <span class="comment">//</span>
<a name="l00027"></a>00027 <span class="comment">// The U.S. Government is granted a limited license as per AL 91-7.</span>
<a name="l00028"></a>00028 <span class="comment">//</span>
<a name="l00029"></a>00029
<a name="l00030"></a>00030 <span class="preprocessor">#ifndef _chemistry_qc_basis_distshpair_h</span>
<a name="l00031"></a>00031 <span class="preprocessor"></span><span class="preprocessor">#define _chemistry_qc_basis_distshpair_h</span>
<a name="l00032"></a>00032 <span class="preprocessor"></span>
<a name="l00033"></a>00033 <span class="preprocessor">#ifdef __GNUC__</span>
<a name="l00034"></a>00034 <span class="preprocessor"></span><span class="preprocessor">#pragma interface</span>
<a name="l00035"></a>00035 <span class="preprocessor"></span><span class="preprocessor">#endif</span>
<a name="l00036"></a>00036 <span class="preprocessor"></span>
<a name="l00037"></a>00037 <span class="preprocessor">#include <util/misc/regtime.h></span>
<a name="l00038"></a>00038 <span class="preprocessor">#include <util/group/message.h></span>
<a name="l00039"></a>00039 <span class="preprocessor">#include <util/group/thread.h></span>
<a name="l00040"></a>00040 <span class="preprocessor">#include <chemistry/qc/basis/basis.h></span>
<a name="l00041"></a>00041
<a name="l00042"></a>00042 <span class="keyword">using namespace </span>sc;
<a name="l00043"></a>00043
<a name="l00044"></a>00044 <span class="keyword">namespace </span>sc {
<a name="l00045"></a>00045
<a name="l00047"></a><a class="code" href="classsc_1_1DistShellPair.html">00047</a> <span class="keyword">class </span><a class="code" href="classsc_1_1DistShellPair.html" title="Distributes shell pairs either statically or dynamically.">DistShellPair</a> {
<a name="l00048"></a>00048 <span class="keyword">public</span>:
<a name="l00052"></a><a class="code" href="classsc_1_1DistShellPair_1_1SharedData.html">00052</a> <span class="keyword">class </span><a class="code" href="classsc_1_1DistShellPair_1_1SharedData.html" title="This is used to store data that must be shared between all cooperating shell pairs...">SharedData</a> {
<a name="l00053"></a>00053 <span class="keyword">public</span>:
<a name="l00054"></a>00054 <span class="keyword">volatile</span> <span class="keywordtype">long</span> <span class="keywordtype">int</span> shellpair_;
<a name="l00056"></a><a class="code" href="classsc_1_1DistShellPair_1_1SharedData.html#df7b113ee19585fa1937a38b1d54d8f2">00056</a> <a class="code" href="classsc_1_1DistShellPair_1_1SharedData.html#df7b113ee19585fa1937a38b1d54d8f2" title="Construct and initialize.">SharedData</a>() { <a class="code" href="classsc_1_1DistShellPair_1_1SharedData.html#6e36cd1c5825ba71e97d8f0ae4de96b7" title="If this will be used to iterate through the shells again, then init must be called...">init</a>(); }
<a name="l00060"></a><a class="code" href="classsc_1_1DistShellPair_1_1SharedData.html#6e36cd1c5825ba71e97d8f0ae4de96b7">00060</a> <span class="keywordtype">void</span> <a class="code" href="classsc_1_1DistShellPair_1_1SharedData.html#6e36cd1c5825ba71e97d8f0ae4de96b7" title="If this will be used to iterate through the shells again, then init must be called...">init</a>() { shellpair_ = 0; }
<a name="l00061"></a>00061 };
<a name="l00062"></a>00062 <span class="keyword">private</span>:
<a name="l00063"></a>00063 <a class="code" href="classsc_1_1Ref.html">Ref<MessageGrp></a> msg_;
<a name="l00064"></a>00064 <span class="keywordtype">int</span> nthread_;
<a name="l00065"></a>00065 <a class="code" href="classsc_1_1Ref.html">Ref<ThreadLock></a> lock_;
<a name="l00066"></a>00066 <a class="code" href="classsc_1_1Ref.html">Ref<GaussianBasisSet></a> bs1_;
<a name="l00067"></a>00067 <a class="code" href="classsc_1_1Ref.html">Ref<GaussianBasisSet></a> bs2_;
<a name="l00068"></a>00068 <span class="keywordtype">bool</span> bs1_eq_bs2_;
<a name="l00069"></a>00069 <span class="keywordtype">bool</span> task_dynamic_;
<a name="l00070"></a>00070 <span class="keywordtype">bool</span> thread_dynamic_;
<a name="l00071"></a>00071 <span class="keywordtype">int</span> debug_;
<a name="l00072"></a>00072 <span class="comment">// How often updates are printed (i.e. every 10% of total work)</span>
<a name="l00073"></a>00073 <span class="keywordtype">double</span> print_percent_;
<a name="l00074"></a>00074 SharedData *shared_;
<a name="l00075"></a>00075
<a name="l00076"></a>00076 <span class="comment">// Number of tasks handled by thread 0 in task 0:</span>
<a name="l00077"></a>00077 <span class="comment">// if dynamic == true : it will distribute all of them</span>
<a name="l00078"></a>00078 <span class="comment">// if dynamic == false : it will handle its share</span>
<a name="l00079"></a>00079 <span class="keywordtype">long</span> <span class="keywordtype">int</span> ntask_;
<a name="l00080"></a>00080 <span class="comment">// Print period</span>
<a name="l00081"></a>00081 <span class="keywordtype">long</span> <span class="keywordtype">int</span> print_interval_;
<a name="l00082"></a>00082 <span class="comment">// Index of the next task to be served</span>
<a name="l00083"></a>00083 <span class="keywordtype">long</span> <span class="keywordtype">int</span> current_shellpair_;
<a name="l00084"></a>00084
<a name="l00085"></a>00085 <span class="comment">// for dynamic load balancing</span>
<a name="l00086"></a>00086 <span class="keywordtype">int</span> req_type_;
<a name="l00087"></a>00087 <span class="keywordtype">int</span> ans_type_;
<a name="l00088"></a>00088 <span class="keywordtype">int</span> ncpu_less_0_;
<a name="l00089"></a>00089 <span class="keywordtype">void</span> serve_tasks();
<a name="l00090"></a>00090
<a name="l00091"></a>00091 <span class="comment">// for static load balancing</span>
<a name="l00092"></a>00092 <span class="keywordtype">int</span> S_, R_; <span class="comment">// NOTE: S is in bs1, R is in bs2</span>
<a name="l00093"></a>00093 <span class="keywordtype">int</span> ncpu_;
<a name="l00094"></a>00094 <span class="keywordtype">int</span> incS_, incR_;
<a name="l00095"></a>00095 <span class="keywordtype">int</span> mythread_;
<a name="l00096"></a>00096
<a name="l00097"></a>00097 <span class="comment">// sorted work for dynamic load balancing</span>
<a name="l00098"></a>00098 <span class="keywordtype">int</span> *cost_;
<a name="l00099"></a>00099 <span class="keywordtype">int</span> *Svec_;
<a name="l00100"></a>00100 <span class="keywordtype">int</span> *Rvec_;
<a name="l00101"></a>00101 <span class="keywordtype">int</span> *Ivec_;
<a name="l00102"></a>00102
<a name="l00103"></a>00103 <span class="keywordtype">void</span> init_dynamic_work();
<a name="l00104"></a>00104 <span class="keyword">public</span>:
<a name="l00108"></a>00108 <a class="code" href="classsc_1_1DistShellPair.html#89755837e21ce534aadf8550998bb00a" title="The DistShellPair class is used to distribute shell pair indices among tasks.">DistShellPair</a>(<span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<MessageGrp></a> &, <span class="keywordtype">int</span> nthread, <span class="keywordtype">int</span> mythread,
<a name="l00109"></a>00109 <span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<ThreadLock></a>& lock,
<a name="l00110"></a>00110 <span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<GaussianBasisSet></a>& bs1, <span class="keyword">const</span> <a class="code" href="classsc_1_1Ref.html">Ref<GaussianBasisSet></a>& bs2,
<a name="l00111"></a>00111 <span class="keywordtype">bool</span> dynamic, SharedData *shared = 0);
<a name="l00112"></a>00112 ~<a class="code" href="classsc_1_1DistShellPair.html" title="Distributes shell pairs either statically or dynamically.">DistShellPair</a>();
<a name="l00114"></a>00114 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1DistShellPair.html#188970b12fab7074ec08cf4ee5d2826a" title="Resets to the first shell pair.">init</a>();
<a name="l00116"></a><a class="code" href="classsc_1_1DistShellPair.html#bc4af6013dfed9cf8459c5bda477b57a">00116</a> <span class="keywordtype">void</span> <a class="code" href="classsc_1_1DistShellPair.html#bc4af6013dfed9cf8459c5bda477b57a" title="How much stuff to print out.">set_debug</a>(<span class="keywordtype">int</span> d) { debug_ = d; }
<a name="l00118"></a>00118 <span class="keywordtype">void</span> <a class="code" href="classsc_1_1DistShellPair.html#f337c1e8a03db1487fd7dbfc79e096cc" title="How often to print status from node 0.">set_print_percent</a>(<span class="keywordtype">double</span> p);
<a name="l00126"></a>00126 <span class="keywordtype">int</span> <a class="code" href="classsc_1_1DistShellPair.html#d219334d6f95a3f6dc7c7106e0767c0d" title="Puts the current PQ shell pair into P and Q and returns 1.">get_task</a>(<span class="keywordtype">int</span> &P, <span class="keywordtype">int</span> &Q);
<a name="l00127"></a>00127 };
<a name="l00128"></a>00128
<a name="l00129"></a>00129 }
<a name="l00130"></a>00130
<a name="l00131"></a>00131 <span class="preprocessor">#endif</span>
<a name="l00132"></a>00132 <span class="preprocessor"></span>
<a name="l00133"></a>00133 <span class="comment">// //////////////////////////////////////////////////////////////////////////</span>
<a name="l00134"></a>00134
<a name="l00135"></a>00135 <span class="comment">// Local Variables:</span>
<a name="l00136"></a>00136 <span class="comment">// mode: c++</span>
<a name="l00137"></a>00137 <span class="comment">// c-file-style: "CLJ-CONDENSED"</span>
<a name="l00138"></a>00138 <span class="comment">// End:</span>
</pre></div></div>
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