Files
rdkit/External/Lapack++/testing/tSymmSolve.cpp
Greg Landrum 75a79b6327 initial import
2006-05-06 22:20:08 +00:00

140 lines
3.9 KiB
C++
Executable File

//
// LAPACK++ 1.1 Linear Algebra Package 1.1
// University of Tennessee, Knoxvilee, TN.
// Oak Ridge National Laboratory, Oak Ridge, TN.
// Authors: J. J. Dongarra, E. Greaser, R. Pozo, D. Walker
// (C) 1992-1996 All Rights Reserved
//
// NOTICE
//
// Permission to use, copy, modify, and distribute this software and
// its documentation for any purpose and without fee is hereby granted
// provided that the above copyright notice appear in all copies and
// that both the copyright notice and this permission notice appear in
// supporting documentation.
//
// Neither the Institutions (University of Tennessee, and Oak Ridge National
// Laboratory) nor the Authors make any representations about the suitability
// of this software for any purpose. This software is provided ``as is''
// without express or implied warranty.
//
// LAPACK++ was funded in part by the U.S. Department of Energy, the
// National Science Foundation and the State of Tennessee.
#include "lafnames.h"
#include "lapack.h"
//#include LA_GEN_MAT_DOUBLE_H // changed of VC++
#include "gmd.h"
//#include LA_VECTOR_DOUBLE_H // changed of VC++
#include "lavd.h"
//#include LA_SYMM_MAT_DOUBLE_H // changed of VC++
#include "symd.h"
//#include LA_SOLVE_DOUBLE_H // changed of VC++
#include "laslv.h"
//#include LA_GENERATE_MAT_DOUBLE_H // changed of VC++
#include "genmd.h"
//#include LA_EXCEPTION_H // changed of VC++
#include "laexcp.h"
#include "blas++.h"
double residual(LaSymmMatDouble &A, LaVectorDouble &x,
const LaVectorDouble& b)
{
// Symm matrices are always square
int N = A.size(0);
cout << "\tNorm_Inf(A*x-b)" << Norm_Inf(A*x-b) << endl;
cout << "\tNorm_Inf(A) " << Norm_Inf(A) << endl;
cout << "\tNorm_Inf(x) " << Norm_Inf(x) << endl;
cout << "\tMacheps :" << Mach_eps_double() << endl;
return Norm_Inf(A*x-b ) /
( Norm_Inf(A)* Norm_Inf(x) * N * Mach_eps_double());
}
int TestSymmLinearSolve(int N)
{
LaSymmMatDouble A(N,N);
LaVectorDouble x(N), b(N);
const char fname[] = "TestSymmLinearSolve(LaGenMat, x, b) ";
LaGenerateMatDouble(A);
// save a snapshot of what A looked like before the solution
LaSymmMatDouble old_A(A);
b = 1.1;
cerr << fname << ": testing LaLinearSolve(Symm,...) \n";
LaLinearSolve(A, x, b);
double norm;
if ( (norm = Norm_Inf( old_A - A)) > 0.0) // this is a hard test, not
// necessary to worry about
// round-off issues. We
// are testing to see A was
// overwritten.
{
cerr << fname << ": overwrote 1st arg.\n";
cerr << " error norm: " << norm << endl;
exit(1);
}
#if 0
cout << "A\n" << A << endl;
cout << "old_A\n" << old_A << endl;
cout << "x \n" << x << endl;
#endif
double res = residual(A,x,b);
if (res > 1)
{
cerr << fname << "resdiual " << res << " is to too high.\n";
exit(1);
}
cerr << fname << ": LaLinearSolve(Symm) success.\n\n";
// now try the in-place solver
cerr << fname << ": testing LaLinearSolveIP(Symm,...) \n";
LaLinearSolveIP(A, x, b);
res = residual(old_A, x, b);
if (res > 1)
{
cerr << fname << "resdiual " << res << " is to too high.\n";
exit(1);
}
cerr << fname << ": LaLinearSolveIP(Symm) success.\n\n";
return 0;
}
main(int argc, char **argv)
{
cout.precision(8);
cout.setf(ios::scientific, ios::floatfield);
if (argc < 2)
{
cerr << "Usage " << argv[0] << " M N " << endl;
exit(1);
}
int M = atoi(argv[1]);
int N = atoi(argv[2]);
TestSymmLinearSolve(M);
}