Core routines and parameters of ddX software. More...

Data Types
interface	matvec_interface

interface	matvec_interface_external

interface	norm_interface

Functions/Subroutines
subroutine	jacobi_diis (params, constants, workspace, tol, rhs, x, niter, x_rel_diff, matvec, dm1vec, norm_func, ddx_error)
	Jacobi iterative solver. More...

subroutine	diis (n, nmat, ndiis, x, e, b, xnew)
	DIIS helper routine. More...

subroutine	makeb (n, nmat, ndiis, e, b)
	DIIS helper routine. More...

subroutine	jacobi_diis_external (params, constants, workspace, n, tol, rhs, x, n_iter, x_rel_diff, matvec, dm1vec, norm_func, ddx_error)
	jacobi_diis_solver_external WARNING: code duplication is bad, but here it makes a very specific sense. in ddLPB, we are solving a linear system with Jacobi DIIS also to apply the preconditioner. As calling a solver recursively is a terrible idea, we create a copy of jacobi_diis that: More...

Detailed Description

Core routines and parameters of ddX software.

Function/Subroutine Documentation

◆ jacobi_diis()

subroutine ddx_solvers::jacobi_diis	(	type(ddx_params_type), intent(in)	params,
		type(ddx_constants_type), intent(in)	constants,
		type(ddx_workspace_type), intent(inout)	workspace,
		real(dp), intent(in)	tol,
		real(dp), dimension(constants % n), intent(in)	rhs,
		real(dp), dimension(constants % n), intent(inout)	x,
		integer, intent(inout)	niter,
		real(dp), dimension(niter), intent(out)	x_rel_diff,
		procedure(matvec_interface)	matvec,
		procedure(matvec_interface)	dm1vec,
		procedure(norm_interface)	norm_func,
		type(ddx_error_type), intent(inout)	ddx_error
	)

Jacobi iterative solver.

Parameters

[in]	params	User input parameters for the ddX.
[in]	constants	Precomputed constants for the ddX.
[in,out]	workspace	Temporary workspace for the ddX.
[in]	tol	Relative error threshold to stop iterations.
[in]	rhs	Right hand side.
[in,out]	x	On input, containts an initial guess to a solution. On exit, returns
[in,out]	niter	Maximal number of iterations on input. On exit, contains a number of actually performed matrix-vector products.
[out]	x_rel_diff	Relative difference between old and new values of the solution on each iteration.
[in]	matvec	Routine that performs
[in]	dm1vec
[in]	norm_func
[in,out]	ddx_error	ddX error

Definition at line 84 of file ddx_solvers.f90.

◆ diis()

subroutine ddx_solvers::diis	(	integer, intent(in)	n,
		integer, intent(inout)	nmat,
		integer, intent(in)	ndiis,
		real(dp), dimension(n,ndiis), intent(inout)	x,
		real(dp), dimension(n,ndiis), intent(inout)	e,
		real(dp), dimension(ndiis+1,ndiis+1), intent(inout)	b,
		real(dp), dimension(n), intent(inout)	xnew
	)

DIIS helper routine.

Definition at line 162 of file ddx_solvers.f90.

◆ makeb()

subroutine ddx_solvers::makeb	(	integer, intent(in)	n,
		integer, intent(in)	nmat,
		integer, intent(in)	ndiis,
		real(dp), dimension(n,ndiis), intent(in)	e,
		real(dp), dimension(ndiis+1,ndiis+1), intent(inout)	b
	)

DIIS helper routine.

Definition at line 214 of file ddx_solvers.f90.

◆ jacobi_diis_external()

subroutine ddx_solvers::jacobi_diis_external	(	type(ddx_params_type), intent(in)	params,
		type(ddx_constants_type), intent(inout)	constants,
		type(ddx_workspace_type), intent(inout)	workspace,
		integer, intent(in)	n,
		real(dp), intent(in)	tol,
		real(dp), dimension(n), intent(in)	rhs,
		real(dp), dimension(n), intent(inout)	x,
		integer, intent(inout)	n_iter,
		real(dp), dimension(n_iter), intent(out)	x_rel_diff,
		external	matvec,
		external	dm1vec,
		procedure(norm_interface)	norm_func,
		type(ddx_error_type), intent(inout)	ddx_error
	)

jacobi_diis_solver_external WARNING: code duplication is bad, but here it makes a very specific sense. in ddLPB, we are solving a linear system with Jacobi DIIS also to apply the preconditioner. As calling a solver recursively is a terrible idea, we create a copy of jacobi_diis that:

takes as an input the size of the system to be solved (no hardcoded dependence on nsph)
uses copies of the norm subroutine, so that it can also be called with a user-given size for arrays

Definition at line 263 of file ddx_solvers.f90.