source: ThirdParty/mpqc_open/src/lib/math/scmat/dist.h@ 91c409

Candidate_v1.7.0 stable
Last change on this file since 91c409 was 860145, checked in by Frederik Heber <heber@…>, 9 years ago

Merge commit '0b990dfaa8c6007a996d030163a25f7f5fc8a7e7' as 'ThirdParty/mpqc_open'
  • Property mode set to 100644
File size: 9.5 KB
RevLine 
[0b990d]1//
2// dist.h
3//
4// Copyright (C) 1996 Limit Point Systems, Inc.
5//
6// Author: Curtis Janssen <cljanss@limitpt.com>
7// Maintainer: LPS
8//
9// This file is part of the SC Toolkit.
10//
11// The SC Toolkit is free software; you can redistribute it and/or modify
12// it under the terms of the GNU Library General Public License as published by
13// the Free Software Foundation; either version 2, or (at your option)
14// any later version.
15//
16// The SC Toolkit is distributed in the hope that it will be useful,
17// but WITHOUT ANY WARRANTY; without even the implied warranty of
18// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19// GNU Library General Public License for more details.
20//
21// You should have received a copy of the GNU Library General Public License
22// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24//
25// The U.S. Government is granted a limited license as per AL 91-7.
26//
27
28#ifdef __GNUC__
29#pragma interface
30#endif
31
32#ifndef _math_scmat_dist_h
33#define _math_scmat_dist_h
34
35#include <util/group/message.h>
36#include <util/group/mstate.h>
37
38#include <math/scmat/block.h>
39#include <math/scmat/matrix.h>
40#include <math/scmat/abstract.h>
41
42namespace sc {
43
44/** The DistSCMatrixKit produces matrices that work in a many processor
45environment. The matrix is distributed across all nodes. */
46class DistSCMatrixKit: public SCMatrixKit {
47 public:
48 DistSCMatrixKit(const Ref<MessageGrp> &grp = 0);
49 DistSCMatrixKit(const Ref<KeyVal>&);
50 ~DistSCMatrixKit();
51 SCMatrix* matrix(const RefSCDimension&,const RefSCDimension&);
52 SymmSCMatrix* symmmatrix(const RefSCDimension&);
53 DiagSCMatrix* diagmatrix(const RefSCDimension&);
54 SCVector* vector(const RefSCDimension&);
55};
56
57
58class DistSCVector: public SCVector {
59 friend class DistSCMatrix;
60 friend class DistSymmSCMatrix;
61 friend class DistDiagSCMatrix;
62 protected:
63 Ref<SCMatrixBlockList> blocklist;
64
65 void init_blocklist();
66 double *find_element(int i) const;
67 int element_to_node(int i) const;
68 int block_to_node(int) const;
69 Ref<SCMatrixBlock> block_to_block(int) const;
70 void error(const char *);
71 public:
72 DistSCVector(const RefSCDimension&, DistSCMatrixKit*);
73 ~DistSCVector();
74 void assign_p(const double*);
75 void assign_v(SCVector*a);
76 void convert(double* v) const;
77 void convert(SCVector *);
78
79 void set_element(int,double);
80 void accumulate_element(int,double);
81 double get_element(int) const;
82 void accumulate(const SCVector*);
83 void accumulate(const SCMatrix*m);
84 double scalar_product(SCVector*);
85 void accumulate_product_rv(SCMatrix *, SCVector *);
86 void element_op(const Ref<SCElementOp>&);
87 void element_op(const Ref<SCElementOp2>&,
88 SCVector*);
89 void element_op(const Ref<SCElementOp3>&,
90 SCVector*,SCVector*);
91 void vprint(const char* title=0,
92 std::ostream& out=ExEnv::out0(), int =10) const;
93
94 Ref<SCMatrixSubblockIter> local_blocks(SCMatrixSubblockIter::Access);
95 Ref<SCMatrixSubblockIter> all_blocks(SCMatrixSubblockIter::Access);
96
97 Ref<DistSCMatrixKit> skit();
98};
99
100class DistSCMatrix: public SCMatrix {
101 friend class DistSymmSCMatrix;
102 friend class DistDiagSCMatrix;
103 friend class DistSCVector;
104 protected:
105 Ref<SCMatrixBlockList> blocklist;
106
107 int vecoff;
108 int nvec;
109 double **vec;
110 protected:
111 // utility functions
112 void init_blocklist();
113 void error(const char *);
114 double *find_element(int i, int j) const;
115 int element_to_node(int i, int j) const;
116 int block_to_node(int,int) const;
117 Ref<SCMatrixBlock> block_to_block(int, int) const;
118 Ref<SCBlockInfo> rowblocks() const { return d1->blocks(); }
119 Ref<SCBlockInfo> colblocks() const { return d2->blocks(); }
120
121 enum VecOp {CopyFromVec, CopyToVec, AccumFromVec, AccumToVec};
122 enum Form { Row, Col } form;
123 void create_vecform(Form, int nvec = -1);
124 void delete_vecform();
125 void vecform_op(VecOp op, int *ivec = 0);
126 void vecform_zero();
127 public:
128 DistSCMatrix(const RefSCDimension&, const RefSCDimension&,
129 DistSCMatrixKit*);
130 ~DistSCMatrix();
131
132 // implementations and overrides of virtual functions
133 double get_element(int,int) const;
134 void set_element(int,int,double);
135 void accumulate_element(int,int,double);
136 SCMatrix * get_subblock(int,int,int,int);
137 void assign_subblock(SCMatrix*, int,int,int,int,int=0,int=0);
138 void accumulate_subblock(SCMatrix*, int,int,int,int,int=0,int=0);
139 SCVector * get_row(int i);
140 SCVector * get_column(int i);
141 void assign_row(SCVector *v, int i);
142 void assign_column(SCVector *v, int i);
143 void accumulate_row(SCVector *v, int i);
144 void accumulate_column(SCVector *v, int i);
145
146 void accumulate_outer_product(SCVector*,SCVector*);
147 void accumulate_product_rr(SCMatrix*,SCMatrix*);
148 void accumulate(const SCMatrix*);
149 void accumulate(const SymmSCMatrix*);
150 void accumulate(const DiagSCMatrix*);
151 void accumulate(const SCVector*);
152 void transpose_this();
153 double invert_this();
154 double solve_this(SCVector*);
155 double determ_this();
156 double trace();
157 void gen_invert_this();
158 void schmidt_orthog(SymmSCMatrix*,int);
159 int schmidt_orthog_tol(SymmSCMatrix*, double tol, double *res=0);
160 void element_op(const Ref<SCElementOp>&);
161 void element_op(const Ref<SCElementOp2>&,
162 SCMatrix*);
163 void element_op(const Ref<SCElementOp3>&,
164 SCMatrix*,SCMatrix*);
165 void vprint(const char* title=0,
166 std::ostream& out=ExEnv::out0(), int =10);
167 void vprint(const char* title=0,
168 std::ostream& out=ExEnv::out0(), int =10) const;
169
170 Ref<SCMatrixSubblockIter> local_blocks(SCMatrixSubblockIter::Access);
171 Ref<SCMatrixSubblockIter> all_blocks(SCMatrixSubblockIter::Access);
172
173 Ref<DistSCMatrixKit> skit();
174};
175
176class DistSymmSCMatrix: public SymmSCMatrix {
177 friend class DistSCMatrix;
178 friend class DistDiagSCMatrix;
179 friend class DistSCVector;
180 protected:
181 Ref<SCMatrixBlockList> blocklist;
182 protected:
183 // utility functions
184 void init_blocklist();
185 double *find_element(int i, int j) const;
186 int element_to_node(int i, int j) const;
187 int block_to_node(int,int) const;
188 Ref<SCMatrixBlock> block_to_block(int, int) const;
189
190 void error(const char *msg);
191 public:
192 DistSymmSCMatrix(const RefSCDimension&, DistSCMatrixKit*);
193 ~DistSymmSCMatrix();
194
195 // implementations and overrides of virtual functions
196 double get_element(int,int) const;
197 void set_element(int,int,double);
198 void accumulate_element(int,int,double);
199
200 SCMatrix * get_subblock(int,int,int,int);
201 SymmSCMatrix * get_subblock(int,int);
202 void assign_subblock(SCMatrix*, int,int,int,int);
203 void assign_subblock(SymmSCMatrix*, int,int);
204 void accumulate_subblock(SCMatrix*, int,int,int,int);
205 void accumulate_subblock(SymmSCMatrix*, int,int);
206 SCVector * get_row(int i);
207 void assign_row(SCVector *v, int i);
208 void accumulate_row(SCVector *v, int i);
209
210 void accumulate_product_rr(SCMatrix*,SCMatrix*);
211 void accumulate(const SymmSCMatrix*);
212 double invert_this();
213 double solve_this(SCVector*);
214 double trace();
215 double determ_this();
216 void gen_invert_this();
217
218 void diagonalize(DiagSCMatrix*,SCMatrix*);
219 void accumulate_symmetric_sum(SCMatrix*);
220 void element_op(const Ref<SCElementOp>&);
221 void element_op(const Ref<SCElementOp2>&,
222 SymmSCMatrix*);
223 void element_op(const Ref<SCElementOp3>&,
224 SymmSCMatrix*,SymmSCMatrix*);
225
226 virtual void convert_accumulate(SymmSCMatrix*);
227
228 Ref<SCMatrixSubblockIter> local_blocks(SCMatrixSubblockIter::Access);
229 Ref<SCMatrixSubblockIter> all_blocks(SCMatrixSubblockIter::Access);
230
231 Ref<DistSCMatrixKit> skit();
232};
233
234class DistDiagSCMatrix: public DiagSCMatrix {
235 friend class DistSCMatrix;
236 friend class DistSymmSCMatrix;
237 friend class DistSCVector;
238 protected:
239 Ref<SCMatrixBlockList> blocklist;
240
241 void init_blocklist();
242 double *find_element(int i) const;
243 int element_to_node(int i) const;
244 int block_to_node(int) const;
245 Ref<SCMatrixBlock> block_to_block(int) const;
246 void error(const char *msg);
247 public:
248 DistDiagSCMatrix(const RefSCDimension&, DistSCMatrixKit*);
249 ~DistDiagSCMatrix();
250
251 // implementations and overrides of virtual functions
252 double get_element(int) const;
253 void set_element(int,double);
254 void accumulate_element(int,double);
255 void accumulate(const DiagSCMatrix*);
256 double invert_this();
257 double determ_this();
258 double trace();
259 void gen_invert_this();
260
261 void element_op(const Ref<SCElementOp>&);
262 void element_op(const Ref<SCElementOp2>&,
263 DiagSCMatrix*);
264 void element_op(const Ref<SCElementOp3>&,
265 DiagSCMatrix*,DiagSCMatrix*);
266
267 Ref<SCMatrixSubblockIter> local_blocks(SCMatrixSubblockIter::Access);
268 Ref<SCMatrixSubblockIter> all_blocks(SCMatrixSubblockIter::Access);
269
270 Ref<DistSCMatrixKit> skit();
271};
272
273class DistSCMatrixListSubblockIter: public SCMatrixListSubblockIter {
274 protected:
275 Ref<MessageGrp> grp_;
276 StateSend out_;
277 StateRecv in_;
278 int step_;
279 Ref<SCMatrixBlockList> locallist_;
280
281 void maybe_advance_list();
282 void advance_list();
283 public:
284 DistSCMatrixListSubblockIter(Access,
285 const Ref<SCMatrixBlockList> &locallist,
286 const Ref<MessageGrp> &grp);
287 void begin();
288 void next();
289 ~DistSCMatrixListSubblockIter();
290};
291
292}
293
294#endif
295
296// Local Variables:
297// mode: c++
298// c-file-style: "CLJ"
299// End:
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