/usr/include/deal.II/lac/arpack_solver.h is in libdeal.ii-dev 8.1.0-6ubuntu1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 | // ---------------------------------------------------------------------
// $Id: arpack_solver.h 31932 2013-12-08 02:15:54Z heister $
//
// Copyright (C) 2010 - 2013 by the deal.II authors
//
// This file is part of the deal.II library.
//
// The deal.II library is free software; you can use it, redistribute
// it, and/or modify it under the terms of the GNU Lesser General
// Public License as published by the Free Software Foundation; either
// version 2.1 of the License, or (at your option) any later version.
// The full text of the license can be found in the file LICENSE at
// the top level of the deal.II distribution.
//
// ---------------------------------------------------------------------
#ifndef __deal2__arpack_solver_h
#define __deal2__arpack_solver_h
#include <deal.II/base/config.h>
#include <deal.II/base/smartpointer.h>
#include <deal.II/lac/solver_control.h>
#include <cstring>
#ifdef DEAL_II_WITH_ARPACK
DEAL_II_NAMESPACE_OPEN
extern "C" void dnaupd_(int *ido, char *bmat, const unsigned int *n, char *which,
const unsigned int *nev, const double *tol, double *resid, int *ncv,
double *v, int *ldv, int *iparam, int *ipntr,
double *workd, double *workl, int *lworkl,
int *info);
extern "C" void dneupd_(int *rvec, char *howmany, int *select, double *d,
double *di, double *z, int *ldz, double *sigmar,
double *sigmai, double *workev, char *bmat,const unsigned int *n, char *which,
const unsigned int *nev, const double *tol, double *resid, int *ncv,
double *v, int *ldv, int *iparam, int *ipntr,
double *workd, double *workl, int *lworkl, int *info);
/**
* Interface for using ARPACK. ARPACK is a collection of Fortran77 subroutines
* designed to solve large scale eigenvalue problems. Here we interface to
* the routines <code>dneupd</code> and <code>dnaupd</code> of ARPACK. The
* package is designed to compute a few eigenvalues and corresponding
* eigenvectors of a general n by n matrix A. It is most appropriate for large
* sparse matrices A.
*
* In this class we make use of the method applied to the
* generalized eigenspectrum problem $(A-\lambda B)x=0$, for
* $x\neq0$; where $A$ is a system matrix, $B$ is a mass matrix,
* and $\lambda, x$ are a set of eigenvalues and eigenvectors
* respectively.
*
* The ArpackSolver can be used in application codes in the
* following way:
@code
SolverControl solver_control (1000, 1e-9);
ArpackSolver (solver_control);
system.solve (A, B, P, lambda, x, size_of_spectrum);
@endcode
* for the generalized eigenvalue problem $Ax=B\lambda x$, where
* the variable <code>size_of_spectrum</code>
* tells ARPACK the number of eigenvector/eigenvalue pairs to
* solve for. Here, <code>lambda</code> is a vector that will contain
* the eigenvalues computed, <code>x</code> a vector that will
* contain the eigenvectors computed, and <code>P</code> is
* a preconditioner for the matrix <code>A</code>.
*
* Through the AdditionalData the user can specify some of the
* parameters to be set.
*
* For further information on how the ARPACK routines <code>dneupd</code> and
* <code>dnaupd</code> work and also how to set the parameters appropriately
* please take a look into the ARPACK manual.
*
* @author Baerbel Janssen, Agnieszka Miedlar, 2010.
*/
class ArpackSolver : public Subscriptor
{
public:
/**
* Declare the type for container size.
*/
typedef types::global_dof_index size_type;
/**
* An enum that lists the possible
* choices for which eigenvalues to
* compute in the solve() function.
*/
enum WhichEigenvalues
{
algebraically_largest,
algebraically_smallest,
largest_magnitude,
smallest_magnitude,
largest_real_part,
smallest_real_part,
largest_imaginary_part,
smallest_imaginary_part,
both_ends
};
/**
* Standardized data struct to pipe
* additional data to the solver,
* should it be needed.
*/
struct AdditionalData
{
const unsigned int number_of_arnoldi_vectors;
const WhichEigenvalues eigenvalue_of_interest;
AdditionalData(
const unsigned int number_of_arnoldi_vectors = 15,
const WhichEigenvalues eigenvalue_of_interest = largest_magnitude);
};
/**
* Access to the object that
* controls convergence.
*/
SolverControl &control () const;
/**
* Constructor.
*/
ArpackSolver(SolverControl &control,
const AdditionalData &data = AdditionalData());
/**
* Solve the generalized eigensprectrum
* problem $A x=\lambda B x$ by calling
* the <code>dneupd</code> and <code>dnaupd</code>
* functions of ARPACK.
*/
template <typename VECTOR, typename MATRIX1,
typename MATRIX2, typename INVERSE>
void solve(
const MATRIX1 &A,
const MATRIX2 &B,
const INVERSE &inverse,
std::vector<std::complex<double> > &eigenvalues,
std::vector<VECTOR> &eigenvectors,
const unsigned int n_eigenvalues);
protected:
/**
* Reference to the object that
* controls convergence of the
* iterative solver.
*/
SolverControl &solver_control;
/**
* Store a copy of the flags for
* this particular solver.
*/
const AdditionalData additional_data;
private:
/**
* Exceptions.
*/
DeclException2 (ExcInvalidNumberofEigenvalues, int, int,
<< "Number of wanted eigenvalues " << arg1
<< " is larger that the size of the matrix " << arg2);
DeclException2 (ExcInvalidNumberofArnoldiVectors, int, int,
<< "Number of Arnoldi vectors " << arg1
<< " is larger that the size of the matrix " << arg2);
DeclException2 (ExcSmallNumberofArnoldiVectors, int, int,
<< "Number of Arnoldi vectors " << arg1
<< " is too small to obtain " << arg2
<< " eigenvalues");
DeclException1 (ExcArpackIdo, int, << "This ido " << arg1
<< " is not supported. Check documentation of ARPACK");
DeclException1 (ExcArpackMode, int, << "This mode " << arg1
<< " is not supported. Check documentation of ARPACK");
DeclException1 (ExcArpackInfodsaupd, int,
<< "Error with dsaupd, info " << arg1
<< ". Check documentation of ARPACK");
DeclException1 (ExcArpackInfodneupd, int,
<< "Error with dneupd, info " << arg1
<< ". Check documentation of ARPACK");
DeclException1 (ExcArpackInfoMaxIt, int,
<< "Maximum number " << arg1
<< " of iterations reached.");
DeclException1 (ExcArpackNoShifts, int,
<< "No shifts could be applied during implicit"
<< " Arnoldi update, try increasing the number of"
<< " Arnoldi vectors.");
};
inline
ArpackSolver::AdditionalData::
AdditionalData (const unsigned int number_of_arnoldi_vectors,
const WhichEigenvalues eigenvalue_of_interest)
:
number_of_arnoldi_vectors(number_of_arnoldi_vectors),
eigenvalue_of_interest(eigenvalue_of_interest)
{}
inline
ArpackSolver::ArpackSolver (SolverControl &control,
const AdditionalData &data)
:
solver_control (control),
additional_data (data)
{}
template <typename VECTOR, typename MATRIX1,
typename MATRIX2, typename INVERSE>
inline
void ArpackSolver::solve (
const MATRIX1 &system_matrix,
const MATRIX2 &mass_matrix,
const INVERSE &inverse,
std::vector<std::complex<double> > &eigenvalues,
std::vector<VECTOR> &eigenvectors,
const unsigned int n_eigenvalues)
{
//inside the routines of ARPACK the
//values change magically, so store
//them here
const unsigned int n = system_matrix.m();
const unsigned int n_inside_arpack = system_matrix.m();
/*
if(n < 0 || nev <0 || p < 0 || maxit < 0 )
std:cout << "All input parameters have to be positive.\n";
*/
Assert (n_eigenvalues < n,
ExcInvalidNumberofEigenvalues(n_eigenvalues, n));
Assert (additional_data.number_of_arnoldi_vectors < n,
ExcInvalidNumberofArnoldiVectors(
additional_data.number_of_arnoldi_vectors, n));
Assert (additional_data.number_of_arnoldi_vectors > 2*n_eigenvalues+1,
ExcSmallNumberofArnoldiVectors(
additional_data.number_of_arnoldi_vectors, n_eigenvalues));
// ARPACK mode for dnaupd, here only mode 3
int mode = 3;
// reverse communication parameter
int ido = 0;
/**
* 'G' generalized eigenvalue problem
* 'I' standard eigenvalue problem
*/
char bmat[2] = "G";
/** Specify the eigenvalues of interest,
* possible parameters
* "LA" algebraically largest
* "SA" algebraically smallest
* "LM" largest magnitude
* "SM" smallest magnitude
* "LR" largest real part
* "SR" smallest real part
* "LI" largest imaginary part
* "SI" smallest imaginary part
* "BE" both ends of spectrum simultaneous
*/
char which[3];
switch (additional_data.eigenvalue_of_interest)
{
case algebraically_largest:
std::strcpy (which, "LA");
break;
case algebraically_smallest:
std::strcpy (which, "SA");
break;
case largest_magnitude:
std::strcpy (which, "LM");
break;
case smallest_magnitude:
std::strcpy (which, "SM");
break;
case largest_real_part:
std::strcpy (which, "LR");
break;
case smallest_real_part:
std::strcpy (which, "SR");
break;
case largest_imaginary_part:
std::strcpy (which, "LI");
break;
case smallest_imaginary_part:
std::strcpy (which, "SI");
break;
case both_ends:
std::strcpy (which, "BE");
break;
}
// tolerance for ARPACK
const double tol = control().tolerance();
// if the starting vector is used it has to be in resid
std::vector<double> resid(n, 1.);
// number of Arnoldi basis vectors specified
// in additional_data
int ncv = additional_data.number_of_arnoldi_vectors;
int ldv = n;
std::vector<double> v (ldv*ncv, 0.0);
//information to the routines
std::vector<int> iparam (11, 0);
iparam[0] = 1; // shift strategy
// maximum number of iterations
iparam[2] = control().max_steps();
/** Sets the mode of dsaupd.
* 1 is exact shifting,
* 2 is user-supplied shifts,
* 3 is shift-invert mode,
* 4 is buckling mode,
* 5 is Cayley mode.
*/
iparam[6] = mode;
std::vector<int> ipntr (14, 0);
// work arrays for ARPACK
double *workd;
workd = new double[3*n];
for (unsigned int i=0; i<3*n; ++i)
workd[i] = 0.0;
int lworkl = 3*ncv*(ncv + 6);
std::vector<double> workl (lworkl, 0.);
//information out of the iteration
int info = 1;
const unsigned int nev = n_eigenvalues;
while (ido != 99)
{
// call of ARPACK dnaupd routine
dnaupd_(&ido, bmat, &n_inside_arpack, which, &nev, &tol,
&resid[0], &ncv, &v[0], &ldv, &iparam[0], &ipntr[0],
workd, &workl[0], &lworkl, &info);
if (ido == 99)
break;
switch (mode)
{
case 3:
{
switch (ido)
{
case -1:
{
VECTOR src,dst,tmp;
src.reinit(eigenvectors[0]);
dst.reinit(src);
tmp.reinit(src);
for (size_type i=0; i<src.size(); ++i)
src(i) = *(workd+ipntr[0]-1+i);
// multiplication with mass matrix M
mass_matrix.vmult(tmp, src);
// solving linear system
inverse.vmult(dst,tmp);
for (size_type i=0; i<dst.size(); ++i)
*(workd+ipntr[1]-1+i) = dst(i);
}
break;
case 1:
{
VECTOR src,dst,tmp, tmp2;
src.reinit(eigenvectors[0]);
dst.reinit(src);
tmp.reinit(src);
tmp2.reinit(src);
for (size_type i=0; i<src.size(); ++i)
{
src(i) = *(workd+ipntr[2]-1+i);
tmp(i) = *(workd+ipntr[0]-1+i);
}
// solving linear system
inverse.vmult(dst,src);
for (size_type i=0; i<dst.size(); ++i)
*(workd+ipntr[1]-1+i) = dst(i);
}
break;
case 2:
{
VECTOR src,dst;
src.reinit(eigenvectors[0]);
dst.reinit(src);
for (size_type i=0; i<src.size(); ++i)
src(i) = *(workd+ipntr[0]-1+i);
// Multiplication with mass matrix M
mass_matrix.vmult(dst, src);
for (size_type i=0; i<dst.size(); ++i)
*(workd+ipntr[1]-1+i) = dst(i);
}
break;
default:
Assert (false, ExcArpackIdo(ido));
break;
}
}
break;
default:
Assert (false, ExcArpackMode(mode));
break;
}
}
if (info<0)
{
Assert (false, ExcArpackInfodsaupd(info));
}
else
{
/** 1 - compute eigenvectors,
* 0 - only eigenvalues
*/
int rvec = 1;
// which eigenvectors
char howmany[4] = "All";
std::vector<int> select (ncv, 0);
int ldz = n;
std::vector<double> z (ldz*ncv, 0.);
double sigmar = 0.0; // real part of the shift
double sigmai = 0.0; // imaginary part of the shift
int lworkev = 3*ncv;
std::vector<double> workev (lworkev, 0.);
std::vector<double> eigenvalues_real (n_eigenvalues, 0.);
std::vector<double> eigenvalues_im (n_eigenvalues, 0.);
// call of ARPACK dneupd routine
dneupd_(&rvec, howmany, &select[0], &eigenvalues_real[0],
&eigenvalues_im[0], &z[0], &ldz, &sigmar, &sigmai,
&workev[0], bmat, &n_inside_arpack, which, &nev, &tol,
&resid[0], &ncv, &v[0], &ldv,
&iparam[0], &ipntr[0], workd, &workl[0], &lworkl, &info);
if (info == 1)
{
Assert (false, ExcArpackInfoMaxIt(control().max_steps()));
}
else if (info == 3)
{
Assert (false, ExcArpackNoShifts(1));
}
else if (info!=0)
{
Assert (false, ExcArpackInfodneupd(info));
}
for (size_type i=0; i<eigenvectors.size(); ++i)
for (unsigned int j=0; j<n; ++j)
eigenvectors[i](j) = v[i*n+j];
delete[] workd;
AssertDimension (eigenvalues.size(), eigenvalues_real.size());
AssertDimension (eigenvalues.size(), eigenvalues_im.size());
for (size_type i=0; i<eigenvalues.size(); ++i)
eigenvalues[i] = std::complex<double> (eigenvalues_real[i],
eigenvalues_im[i]);
}
}
inline
SolverControl &ArpackSolver::control () const
{
return solver_control;
}
DEAL_II_NAMESPACE_CLOSE
#endif
#endif
|