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https://github.com/TREX-CoE/Sherman-Morrison.git
synced 2024-08-25 14:41:45 +02:00
Split the program in a header file and an implementation file and included them in main. Does not compile. Get the following error: ld: /tmp/icpcnmVxvw.o: in function void showMatrix<int>(int**, unsigned int, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >)'
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6
Makefile
6
Makefile
@ -5,12 +5,12 @@ CXXFLAGS=-O0 -debug full -traceback
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# ARCH=-xCORE-AVX2
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DEPS = SM-MaponiA3.cpp
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OBJ = SM-MaponiA3.o
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OBJ = SM-MaponiA3.o main.o
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%.o: %.c $(DEPS)
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%.o: %.cpp $(DEPS)
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$(CXX) $(ARCH) -c -o $@ $< $(CFLAGS)
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SM-MaponiA3: $(OBJ)
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Sherman-Morrison: $(OBJ)
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$(CXX) $(ARCH) -o $@ $^ $(CFLAGS)
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clean:
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121
SM-MaponiA3.cpp
121
SM-MaponiA3.cpp
@ -1,107 +1,5 @@
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// Algorithm 3 from P. Maponi,
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// p. 283, doi:10.1016/j.laa.2006.07.007
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#include <iostream>
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#include <string>
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#include <cmath>
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#include <cstdlib>
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#include <ctime>
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using namespace std;
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uint getMaxIndex(double *arr, uint size);
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template<typename T>void showScalar(T scalar, string name);
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template<typename T>void showVector(T *vector, uint size, string name);
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template<typename T>void showMatrix(T **matrix, uint size, string name);
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template<typename T>void showMatrixT(T **matrix, uint size, string name);
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template<typename T>T **matMul(T **A, T **B, uint size);
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template<typename T1, typename T2>T1 **outProd(T1 *vec1, T2 *vec2, uint size);
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template<typename T>T matDet(T **A, int M);
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void Sherman_Morrison(int **Slater0, double **Slater_inv, uint *Dim, uint *N_updates, int **Updates, uint *Updates_index);
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int main() {
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srand((unsigned) time(0));
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uint randRange = 1; // to get random integers in range [-randRange, randRange]
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uint M = 3; // Dimension of the Slater-matrix
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uint i, j; // Indices for iterators
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// Declare and allocate all vectors and matrices
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uint *indices_of_updates = new uint[M];
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int **A = new int*[M]; // The matrix to be inverted
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int **A0 = new int*[M]; // A diagonal matrix with the digonal elements of A
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int **Ar = new int*[M]; // The update matrix
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double **A0inv = new double*[M]; // Inverse of A0
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for (i = 0; i < M; i++) {
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A[i] = new int[M];
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A0[i] = new int[M];
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Ar[i] = new int[M];
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A0inv[i] = new double[M];
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}
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// Initialize all matrices with zeros
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for (i = 0; i < M; i++) {
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for (j = 0; j < M; j++) {
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A0[i][j] = 0;
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Ar[i][j] = 0;
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A0inv[i][j] = 0;
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}
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}
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// Initialize A with M=3 and Eq. (17) from paper
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A[0][0] = 1; A[0][1] = 1; A[0][2] = -1;
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A[1][0] = 1; A[1][1] = 1; A[1][2] = 0;
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A[2][0] = -1; A[2][1] = 0; A[2][2] = -1;
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// // Fill A with random numbers from [-randRange,randRange]
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// // and check if A and A0 are invertable
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// do {
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// for (i = 0; i < M; i++) {
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// for (j = 0; j < M; j++) {
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// A[i][j] = rand()%(2*randRange+1)-randRange;
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// }
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// }
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// for (i = 0; i < M; i++) {
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// A0[i][i] = A[i][i];
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// }
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// } while (matDet(A, M) == 0 || matDet(A0, M) == 0);
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showMatrix(A, M, "A");
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// Init Ar: the update matrix
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for (i = 0; i < M; i++) {
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for (j = 0; j < M; j++) {
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Ar[i][j] = A[i][j] - A0[i][j];
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}
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}
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// Define A0inv
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for (i = 0; i < M; i++) {
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A0inv[i][i] = 1.0/A[i][i];
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}
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showMatrix(A0inv, M, "A0inv");
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// Populate indices_of_updates
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for (i = 0; i < M; i++) {
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indices_of_updates[i] = i;
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}
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uint *dim = new uint(M);
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Sherman_Morrison(A0, A0inv, dim, dim, Ar, indices_of_updates);
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showMatrixT(A0inv, M, "A0inv");
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// Deallocate all vectors and matrices
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for (i = 0; i < M; i++) {
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delete [] A[i];
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delete [] A0[i];
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delete [] A0inv[i];
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delete [] Ar[i];
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}
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delete [] A, A0, A0inv, Ar;
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return 0;
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}
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// SM-MaponiA3.cpp
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#include "SM-MaponiA3.hpp"
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uint getMaxIndex(double *arr, uint size) {
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uint i;
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@ -223,8 +121,6 @@ T matDet(T** A, int M) {
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}
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void Sherman_Morrison(int **Slater0, double **Slater_inv, uint *Dim, uint *N_updates, int **Updates, uint *Updates_index) {
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cout << "We just entered Sherman-Morrison" << endl;
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showMatrix(Slater_inv, *Dim, "Slater_inv");
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uint k, l, lbar, i, j, tmp, M = *Dim;
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uint *p = new uint[M+1];
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double *breakdown = new double[M+1];
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@ -292,13 +188,11 @@ void Sherman_Morrison(int **Slater0, double **Slater_inv, uint *Dim, uint *N_upd
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}
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}
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cout << "Just before the final construction of the inverse..." << endl;
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showMatrix(Slater_inv, M, "Slater_inv");
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// Construct A-inverse from A0-inverse and the ylk
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double** U;
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double** Al = new double*[M];
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double **U;
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double **Al = new double*[M];
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for (i = 0; i < M; i++) Al[i] = new double[M];
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for (l = 0; l < M; l++) {
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k = l+1;
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U = outProd(ylk[l][p[k]], Id[p[k]-1], M);
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@ -310,10 +204,11 @@ void Sherman_Morrison(int **Slater0, double **Slater_inv, uint *Dim, uint *N_upd
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}
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Slater_inv = matMul(Al, Slater_inv, M);
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}
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cout << "Just after the final construction of the inverse..." << endl;
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showMatrix(Slater_inv, M, "Slater_inv");
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delete [] p, breakdown;
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for (i = 0; i < M; i++) {
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delete [] Id[i];
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delete [] U[i];
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delete [] Al[i];
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}
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15
SM-MaponiA3.hpp
Normal file
15
SM-MaponiA3.hpp
Normal file
@ -0,0 +1,15 @@
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// SM-MaponiA3.hpp
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#include <iostream>
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#include <cmath>
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#include <string>
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using namespace std;
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uint getMaxIndex(double *arr, uint size);
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template<typename T>void showScalar(T scalar, string name);
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template<typename T>void showVector(T *vector, uint size, string name);
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template<typename T>void showMatrix(T **matrix, uint size, string name);
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template<typename T>void showMatrixT(T **matrix, uint size, string name);
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template<typename T>T **matMul(T **A, T **B, uint size);
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template<typename T1, typename T2>T1 **outProd(T1 *vec1, T2 *vec2, uint size);
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template<typename T>T matDet(T **A, int M);
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void Sherman_Morrison(int **Slater0, double **Slater_inv, uint *Dim, uint *N_updates, int **Updates, uint *Updates_index);
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84
main.cpp
Normal file
84
main.cpp
Normal file
@ -0,0 +1,84 @@
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// Algorithm 3 from P. Maponi,
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// p. 283, doi:10.1016/j.laa.2006.07.007
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#include <cstdlib>
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#include <ctime>
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#include "SM-MaponiA3.hpp"
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using namespace std;
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int main() {
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srand((unsigned) time(0));
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uint randRange = 1; // to get random integers in range [-randRange, randRange]
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uint M = 3; // Dimension of the Slater-matrix
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uint i, j; // Indices for iterators
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// Declare and allocate all vectors and matrices
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uint *Ar_index = new uint[M];
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int **A = new int*[M]; // The matrix to be inverted
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int **A0 = new int*[M]; // A diagonal matrix with the digonal elements of A
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int **Ar = new int*[M]; // The update matrix
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double **A0_inv = new double*[M]; // Inverse of A0
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for (i = 0; i < M; i++) {
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A[i] = new int[M];
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A0[i] = new int[M];
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Ar[i] = new int[M];
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A0_inv[i] = new double[M];
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}
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// Initialize all matrices with zeros
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for (i = 0; i < M; i++) {
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for (j = 0; j < M; j++) {
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A0[i][j] = 0;
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Ar[i][j] = 0;
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A0_inv[i][j] = 0;
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}
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}
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// Initialize A with M=3 and Eq. (17) from paper
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A[0][0] = 1; A[0][1] = 1; A[0][2] = -1;
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A[1][0] = 1; A[1][1] = 1; A[1][2] = 0;
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A[2][0] = -1; A[2][1] = 0; A[2][2] = -1;
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// // Fill A with random numbers from [-randRange,randRange]
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// // and check if A and A0 are invertable
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// do {
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// for (i = 0; i < M; i++) {
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// for (j = 0; j < M; j++) {
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// A[i][j] = rand()%(2*randRange+1)-randRange;
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// }
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// }
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// for (i = 0; i < M; i++) {
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// A0[i][i] = A[i][i];
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// }
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// } while (matDet(A, M) == 0 || matDet(A0, M) == 0);
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showMatrix(A, M, "A");
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// Init the update matrix Ar, A0_inv and Ar_index
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for (i = 0; i < M; i++) {
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A0_inv[i][i] = 1.0/A[i][i];
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Ar_index[i] = i;
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for (j = 0; j < M; j++) {
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Ar[i][j] = A[i][j] - A0[i][j];
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}
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}
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uint *dim = new uint(M);
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uint *n_updates = new uint(M);
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Sherman_Morrison(A0, A0_inv, dim, n_updates, Ar, Ar_index);
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showMatrix(A0_inv, M, "A0_inv");
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// Deallocate all vectors and matrices
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for (i = 0; i < M; i++) {
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delete [] A[i];
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delete [] A0[i];
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delete [] A0_inv[i];
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delete [] Ar[i];
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}
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delete [] A, A0, A0_inv, Ar, Ar_index;
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delete dim, n_updates;
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return 0;
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}
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