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https://github.com/TREX-CoE/Sherman-Morrison.git
synced 2024-12-25 13:53:56 +01:00
Prepared the example matrix of Example 8 of the paper and its
decomposition in the Fortran code and made a basic call to the subroutine MYSUBROUTINE, which is bound to the C++ void function 'Sherman-Morrison();. For now compilation fails with lots of undefined references.'
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25
Makefile
25
Makefile
@ -7,24 +7,33 @@ FFLAGS=-O0 -debug full -traceback
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## Deps & objs for the C++ stuff
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cppDEPS = cppmain.cpp SM_MaponiA3.cpp SM_MaponiA3.hpp Helpers.hpp
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cppOBJ = cppmain.o SM_MaponiA3.o
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## Deps & objs for the Fortran stuff
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fDEPS = fmain.f90 SM_MaponiA3_mod.f90
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fOBJ = SM_MaponiA3_mod.o fmain.o
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fOBJ = SM_MaponiA3.o SM_MaponiA3_mod.o fmain.o
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## Compile recipes for C++ stuff
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%.o: %.cpp $(cppDEPS)
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$(CXX) $(ARCH) $(CXXFLAGS) -c -o $@ $<
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## Compile recepies for Fortran stuff
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%.o: %.f90 $(fDEPS)
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$(FC) $(ARCH) $(FFLAGS) -c -o $@ $<
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.PHONY: all clean distclean
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all: cppSherman-Morrison fSherman-Morrison
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cppSherman-Morrison: $(cppOBJ)
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$(CXX) $(ARCH) $(CXXFLAGS) -o $@ $^
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fSherman-Morrison: $(fOBJ)
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$(FC) $(ARCH) $(FFLAGS) -o $@ $^
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clean:
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@rm -vf *.o *.mod
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distclean: clean
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@rm -vf cppSherman-Morrison fSherman-Morrison
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## Linking the C++ example program
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cppSherman-Morrison: $(cppOBJ)
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$(CXX) $(ARCH) $(CXXFLAGS) -o $@ $^
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## Linking Fortran example program calling the C++ function 'Sherman_Morrison()'
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fSherman-Morrison: $(fOBJ)
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$(FC) $(ARCH) $(FFLAGS) -o $@ $^
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@ -4,7 +4,7 @@
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#include "SM_MaponiA3.hpp"
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#include "Helpers.hpp"
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void Sherman_Morrison_(int **Slater0, double **Slater_inv, unsigned int *Dim, unsigned int *N_updates, int **Updates, unsigned int *Updates_index) {
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void Sherman_Morrison(int **Slater0, double **Slater_inv, unsigned int *Dim, unsigned int *N_updates, int **Updates, unsigned int *Updates_index) {
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unsigned int k, l, lbar, i, j, tmp, M = *Dim;
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unsigned int *p = new unsigned int[M+1];
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unsigned int **Id = new unsigned int*[M];
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@ -1,5 +1,5 @@
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// SM-MaponiA3.hpp
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extern "C" {
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void Sherman_Morrison_(int **Slater0, double **Slater_inv, unsigned int *Dim, unsigned int *N_updates, int **Updates, unsigned int *Updates_index);
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}
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void Sherman_Morrison(int **Slater0, double **Slater_inv, unsigned int *Dim, unsigned int *N_updates, int **Updates, unsigned int *Updates_index);
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}
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@ -65,7 +65,7 @@ int main() {
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// Define pointers dim and n_updates to use in Sherman-Morrison(...) function call
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unsigned int *dim = new unsigned int(M);
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unsigned int *n_updates = new unsigned int(M);
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Sherman_Morrison_(A0, A0_inv, dim, n_updates, Ar, Ar_index);
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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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25
fmain.f90
25
fmain.f90
@ -24,12 +24,29 @@ program Interface_test
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A(3,2) = 0
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A(3,3) = -1
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do i=1,3
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do j=1,3
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write(*,"(I)", advance="no") A(i,j)
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!! Prepare the diagonal matrix A0 and the update matrix Ar
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do i=1,dim
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Ar_index(i) = i
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do j=1,dim
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if (i == j) then
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A0(i,j) = A(i,j)
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A0_inv(i,j) = 1.0d0 / A0(i,j)
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else
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A0(i,j) = 0
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A0_inv(i,j) = 0.0d0
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end if
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Ar(i,j) = A(i,j) - A0(i,j)
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end do
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write(*,*)
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end do
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! do i=1,dim
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! do j=1,dim
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! write(*,"(I)", advance="no") Ar_index(i)
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! end do
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! write(*,*)
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! end do
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call MYSUBROUTINE(A0, A0_inv, dim, n_updates, Ar, Ar_index)
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deallocate(Ar_index, A, A0, Ar, A0_inv)
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end program
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