abacus-develop/source/source_base/matrix.cpp at develop · DawnTilDusk/abacus-develop · GitHub

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/* matrix.cpp file */

#include <iostream>

#include <fstream>

#include <iomanip>

#include <cstdio>

#include <cassert>

#include <cstring>

#include <cmath>

#include <cstdlib>

#include <limits>

#include "matrix.h"

#ifdef __NORMAL

#else

#include "module_external/blas_connector.h"

#endif

//*********************************************************

// The init() function is the main initialization routine.

// Sets up sizes and allocates memory for matrix class.

// All constructors call init()

// ********************************************************

//int matrix::mCount = 0;

namespace ModuleBase

{

void matrixAlloc()

{

std::cerr << "Allocation error for Matrix" << std::endl;

std::exit(EXIT_FAILURE);

}

/*create a matrix with nrows*ncols size */

matrix::matrix( const int nrows, const int ncols, const bool flag_zero )

:nr(nrows),

nc(ncols),

c(nullptr)

{

if( nr && nc )

{

auto handler_old = std::set_new_handler(matrixAlloc);

c = new double[nr*nc];

std::set_new_handler(handler_old);

if(flag_zero) this->zero_out();

}

matrix::matrix( const matrix &m_in )

:nr(m_in.nr),

nc(m_in.nc),

c(nullptr)

{

if( nr && nc )

{

auto handler_old = std::set_new_handler(matrixAlloc);

c = new double[nr*nc];

std::set_new_handler(handler_old);

memcpy( c, m_in.c, nr*nc*sizeof(double) );

}

// Peize Lin add 2016-08-05

matrix::matrix( matrix && m_in )

:nr(m_in.nr),

nc(m_in.nc)

{

c = m_in.c;

m_in.nr = m_in.nc = 0;

m_in.c = nullptr;

}

// Peize Lin change 2018-07-02

matrix& matrix::operator=( const matrix & m_in )

{

this->create( m_in.nr, m_in.nc, false );

memcpy( c, m_in.c, nr*nc*sizeof(double) );

return *this;

}

// Peize Lin add 2016-08-05

matrix& matrix::operator=( matrix && m_in )

{

nr = m_in.nr; nc = m_in.nc;

if(c) delete[] c;

c = m_in.c;

m_in.nr = m_in.nc = 0;

m_in.c = nullptr;

return *this;

}

double & matrix::operator()(const int ir,const int ic)

{

assert(ir>=0); assert(ir<nr); assert(ic>=0); assert(ic<nc);

return c[ir*nc+ic];

}

const double & matrix::operator()(const int ir,const int ic) const

{

assert(ir>=0); assert(ir<nr); assert(ic>=0); assert(ic<nc);

return c[ir*nc+ic];

}

//*************

// destructor

//*************

matrix::~matrix()

{

if(c) // Peize Lin add 2016-08-05

{

delete [] c;

c = nullptr;

}

//******************************

// reallocate memory for matrix

//******************************

// Peize Lin change 2018-07-29

void matrix::create( const int nrow, const int ncol, const bool flag_zero )

{

if( nrow && ncol )

{

if(c)

{

const int size=nrow*ncol;

if( size!=nr*nc )

{

delete[] c;

auto handler_old = std::set_new_handler(matrixAlloc);

c = new double[size];

std::set_new_handler(handler_old);

}

else

{

auto handler_old = std::set_new_handler(matrixAlloc);

c = new double[nrow * ncol];

std::set_new_handler(handler_old);

}

nr = nrow;

nc = ncol;

if(flag_zero) zero_out(); // Peize Lin change 2018-03-12

}

else

{

if(c) delete[] c;

c = nullptr;

nr = nrow;

nc = ncol;

}

/* Adding matrices, as a friend */

matrix operator+(const matrix &m1, const matrix &m2)

{

assert(m1.nr == m2.nr);

assert(m1.nc == m2.nc);

matrix tm(m1);

const int size = m1.nr*m1.nc;

for (int i = 0; i < size; i++)

{

tm.c[i] += m2.c[i];

}

return tm;

}

/* Subtracting matrices, as a friend */

matrix operator-(const matrix &m1, const matrix &m2)

{

assert(m1.nr == m2.nr);

assert(m1.nc == m2.nc);

matrix tm(m1);

const int size = m1.nr*m1.nc;

for(int i = 0; i < size; i++)

{

tm.c[i] -= m2.c[i];

}

return tm;

}

//***************************************

// Multiplying matrices, as a friend

// *************************************

matrix operator*(const matrix &m1, const matrix &m2)

{

// fixed bug 2010-01-26

assert(m1.nc == m2.nr);

// allocate the result and zero it out

matrix mprod( m1.nr, m2.nc, false );

#ifdef __NORMAL

mprod.zero_out();

// do the multiply and return

for (int i = 0;i < m1.nr;i++)

{

for (int j = 0;j < m2.nc;j++)

{

for (int k = 0;k < m1.nc;k++)

{

mprod(i, j) += m1(i, k) * m2(k, j);

}

#else

// Peize Lin accelerate 2017-10-27

BlasConnector::gemm(

'N', 'N',

m1.nr, m2.nc, m1.nc,

1, m1.c, m1.nc, m2.c, m2.nc,

0, mprod.c, mprod.nc);

#endif

return mprod;

}

/* Scale a matrix */

matrix operator*(const double &s, const matrix &m)

{

matrix sm(m);

const int size=m.nr*m.nc;

for (int i = 0; i < size; i++)

{

sm.c[i] *= s;

}

return sm;

}

/* matrix * double */

matrix operator*(const matrix &m,const double &s)

{

matrix sm(m);

const int size=m.nr*m.nc;

for (int i = 0; i < size; i++)

{

sm.c[i] *= s;

}

return sm;

}

/* Scale a matrix in place */

void matrix::operator*=(const double &s)

{

const int size=nc*nr;

for (int i = 0; i < size; i++)

c[i] *= s;

}

/* Accumulate to a matrix in place */

void matrix::operator+=(const matrix & m)

{

if(nc*nr==0)

{

return;

}

assert( nr==m.nr );

assert( nc==m.nc );

const int size=nc*nr;

const double * const c_in = m.c;

for( int i = 0; i < size; ++i )

{

c[i] += c_in[i];

}

/* decumulate to a matrix in place */

void matrix::operator-=(const matrix & m)

{

if(nc*nr==0)

{

return;

}

assert( nr==m.nr );

assert( nc==m.nc );

const int size=nc*nr;

const double * const c_in = m.c;

for( int i = 0; i < size; ++i )

{

c[i] -= c_in[i];

}

/* zero out the matrix */

void matrix::zero_out(void)

{

const int size = nr*nc;

if(size == 0)

{

return;

}

for(int i = 0; i < size; i++)

c[i] = 0.0;

}

/* fill out the matrix with a constant double*/

void matrix::fill_out(const double x)

{

const int size = nr*nc;

if(size == 0)

{

return;

}

for(int i = 0; i < size; i++)

c[i] = x;

}

matrix transpose(const matrix &m)

{

matrix tm( m.nc, m.nr, false );

for (int i = 0;i < m.nr;i++)

for (int j = 0;j < m.nc;j++)

tm(j, i) = m(i, j);

return tm;

}

double matrix::trace_on(void) const

{

assert(nr == nc);

int inch = nc + 1;

int size = nr * nc;

double tr = 0.0;

for (int i = 0; i < size; i += inch)

{

tr += c[i];

}

return tr;

}

// Peize Lin add 2017-05-27

void matrix::reshape( const int nr_new, const int nc_new, const bool flag_zero )

{

assert( nr*nc == nr_new*nc_new );

nr=nr_new;

nc=nc_new;

if(flag_zero) this-> zero_out();

}

double trace_on(const matrix &A, const matrix &B)

{

assert(A.nr == B.nc);

assert(A.nc == B.nr);

double tr = 0.0;

for (int i = 0; i < A.nr; ++i)

for (int k = 0; k < A.nc; ++k)

tr += A(i,k) * B(k, i);

return tr;

}

double mdot(const matrix &A, const matrix &B)

{

assert (A.nr == B.nr);

assert (A.nc == B.nc);

const int size = A.nr * A.nc;

double sum = 0.0;

for (int i = 0; i < size; ++i)

sum += A.c[i] * B.c[i];

return sum;

}

// Peize Lin add 2016-09-08

std::ostream & operator<<( std::ostream & os, const matrix & m )

{

for( int ir=0; ir!=m.nr; ++ir )

{

for( int ic=0; ic!=m.nc; ++ic )

{

if(std::abs(m(ir,ic))>1E-10)

os<<m(ir,ic)<<"\t";

else

os<<0<<"\t";

}

os<<std::endl;

}

return os;

}

// Peize Lin add 2021.09.08

/*output the element in a matrix whose absolute value is larger than the input threshold*/

std::ostream & matrix::print( std::ostream & os, const double threshold ) const

{

for( int ir=0; ir!=this->nr; ++ir )

{

for( int ic=0; ic!=this->nc; ++ic )

{

if(std::abs((*this)(ir,ic))>threshold)

os<<(*this)(ir,ic)<<"\t";

else

os<<0<<"\t";

}

os<<std::endl;

}

return os;

}

// Peize Lin add 2016-09-08

double matrix::max() const

{

double value = std::numeric_limits<double>::min();

const int size = nr * nc;

for( int i=0; i<size; ++i )

value = std::max( value, c[i] );

return value;

}

// Peize Lin add 2016-09-08

double matrix::min() const

{

double value = std::numeric_limits<double>::max();

const int size = nr * nc;

for( int i=0; i<size; ++i )

{

value = std::min( value, c[i] );

}

return value;

}

// Peize Lin add 2018-07-02

double matrix::absmax() const

{

double value = 0;

const int size = nr * nc;

for( int i=0; i<size; ++i )

{

value = std::max( value, std::abs(c[i]) );

}

return value;

}

double matrix::norm() const

{

// mohan add 2021-04-25, no tests.

#ifdef __NORMAL

double nn = 0.0;

for(int i=0; i<nr*nc; ++i)

{

nn += c[i]*c[i];

}

return sqrt(nn);

#else

return BlasConnector::nrm2(nr*nc,c,1);

#endif

}

abacus-develop/source/source_base/matrix.cpp at develop · DawnTilDusk/abacus-develop · GitHub

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