ps_wavelet_kernel Namespace Reference

Creates the wavelet kernel for the wavelet based poisson solver. More...

Functions
subroutine, public	createKernel (geocode, n01, n02, n03, hx, hy, hz, itype_scf, iproc, nproc, kernel, mpi_group, error)
	Allocate a pointer which corresponds to the zero-padded FFT slice needed for calculating the convolution with the kernel expressed in the interpolating scaling function basis. The kernel pointer is unallocated on input, allocated on output.
subroutine	Surfaces_Kernel (n1, n2, n3, m3, nker1, nker2, nker3, h1, h2, h3, itype_scf, karray, iproc, nproc, mpi_group, error)
	Build the kernel of the Poisson operator with surfaces Boundary conditions in an interpolating scaling functions basis. Beware of the fact that the nonperiodic direction is y!
subroutine	calculates_green_opt (n, n_scf, itype_scf, intorder, xval, yval, c, mu, hres, g_mu, error)
subroutine	calculates_green_opt_muzero (n, n_scf, intorder, xval, yval, c, hres, green, error)
subroutine	indices (var_realimag, nelem, intrn, extrn, index)
subroutine	Free_Kernel (n01, n02, n03, nfft1, nfft2, nfft3, n1k, n2k, n3k, hgrid, itype_scf, iproc, nproc, karray, mpi_group, error)
	Build the kernel of a gaussian function for interpolating scaling functions. Do the parallel HalFFT of the symmetrized function and stores into memory only 1/8 of the grid divided by the number of processes nproc.
subroutine	inserthalf (n1, n3, lot, nfft, i1, zf, zw)
subroutine	kernelfft (n1, n2, n3, nd1, nd2, nd3, nk1, nk2, nk3, nproc, iproc, zf, zr, mpi_group, error)
	(Based on suitable modifications of S.Goedecker routines) Calculates the FFT of the distributed kernel
subroutine	realcopy (lot, nfft, n2, nk1, nk2, zin, zout)
subroutine	switch (nfft, n2, lot, n1, lzt, zt, zw)
subroutine	mpiswitch (j3, nfft, Jp2st, J2st, lot, n1, nd2, nd3, nproc, zmpi1, zw)
subroutine	gequad (nterms, p, w, urange, drange, acc)
Variables
CHARACTER(len=*), parameter, private	moduleN = 'ps_wavelet_kernel'

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Detailed Description

Creates the wavelet kernel for the wavelet based poisson solver.

Author:

Florian Schiffmann (09.2007,fschiff)

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Function Documentation

subroutine ps_wavelet_kernel::calculates_green_opt	(	INTEGER,intent(in)	n,
		INTEGER,intent(in)	n_scf,
		INTEGER,intent(in)	itype_scf,
		INTEGER,intent(in)	intorder,
		REAL(KIND=dp),dimension(0:n_scf),intent(in)	xval,
		REAL(KIND=dp),dimension(0:n_scf),intent(in)	yval,
		REAL(KIND=dp),dimension(intorder+1),intent(in)	c,
		REAL(KIND=dp),intent(in)	mu,
		REAL(KIND=dp),intent(in)	hres,
		REAL(KIND=dp),dimension(n),intent(out)	g_mu,
		TYPE(cp_error_type),intent(inout)	error
	)		[private]

Definition at line 566 of file ps_wavelet_kernel.f90.

References CPPostcondition.

Referenced by Surfaces_Kernel().

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subroutine ps_wavelet_kernel::calculates_green_opt_muzero	(	INTEGER,intent(in)	n,
		INTEGER,intent(in)	n_scf,
		INTEGER,intent(in)	intorder,
		REAL(KIND=dp),dimension(0:n_scf),intent(in)	xval,
		REAL(KIND=dp),dimension(0:n_scf),intent(in)	yval,
		REAL(KIND=dp),dimension(intorder+1),intent(in)	c,
		REAL(KIND=dp),intent(in)	hres,
		REAL(KIND=dp),dimension(n),intent(out)	green,
		TYPE(cp_error_type),intent(inout)	error
	)		[private]

Definition at line 709 of file ps_wavelet_kernel.f90.

Referenced by Surfaces_Kernel().

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subroutine,public ps_wavelet_kernel::createKernel	(	CHARACTER(len=1),intent(in)	geocode,
		INTEGER,intent(in)	n01,
		INTEGER,intent(in)	n02,
		INTEGER,intent(in)	n03,
		REAL(KIND=dp),intent(in)	hx,
		REAL(KIND=dp),intent(in)	hy,
		REAL(KIND=dp),intent(in)	hz,
		INTEGER,intent(in)	itype_scf,
		INTEGER,intent(in)	iproc,
		INTEGER,intent(in)	nproc,
		REAL(KIND=dp),dimension(:),pointer	kernel,
		INTEGER,intent(in)	mpi_group,
		TYPE(cp_error_type),intent(inout)	error
	)

Allocate a pointer which corresponds to the zero-padded FFT slice needed for calculating the convolution with the kernel expressed in the interpolating scaling function basis. The kernel pointer is unallocated on input, allocated on output.

Parameters:

geocode	Indicates the boundary conditions (BC) of the problem: 'F' free BC, isolated systems. The program calculates the solution as if the given density is "alone" in R^3 space. 'S' surface BC, isolated in y direction, periodic in xz plane The given density is supposed to be periodic in the xz plane, so the dimensions in these direction mus be compatible with the FFT Beware of the fact that the isolated direction is y! 'P' periodic BC. The density is supposed to be periodic in all the three directions, then all the dimensions must be compatible with the FFT. No need for setting up the kernel.
iproc,nproc,:	number of process, number of processes
n	01,n02,n03; dimensions of the real space grid to be hit with the Poisson Solver
itype_scf	order of the interpolating scaling functions used in the decomposition
hx,hy,hz,:	grid spacings. For the isolated BC case for the moment they are supposed to be equal in the three directions
kernel	pointer for the kernel FFT. Unallocated on input, allocated on output. Its dimensions are equivalent to the region of the FFT space for which the kernel is injective. This will divide by two each direction, since the kernel for the zero-padded convolution is real and symmetric.

Warning:

Due to the fact that the kernel dimensions are unknown before the calling, the kernel must be declared as pointer in input of this routine. To avoid that, one can properly define the kernel dimensions by adding the nd1,nd2,nd3 arguments to the PS_dim4allocation routine, then eliminating the pointer declaration.

Author:

Luigi Genovese

Date:

February 2007

Definition at line 69 of file ps_wavelet_kernel.f90.

References CPPostcondition, ps_wavelet_util::F_FFT_dimensions(), Free_Kernel(), and Surfaces_Kernel().

Referenced by ps_wavelet_types::RS_z_slice_distribution().

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subroutine ps_wavelet_kernel::Free_Kernel	(	INTEGER,intent(in)	n01,
		INTEGER,intent(in)	n02,
		INTEGER,intent(in)	n03,
		INTEGER,intent(in)	nfft1,
		INTEGER,intent(in)	nfft2,
		INTEGER,intent(in)	nfft3,
		INTEGER,intent(in)	n1k,
		INTEGER,intent(in)	n2k,
		INTEGER,intent(in)	n3k,
		REAL(KIND=dp),intent(in)	hgrid,
		INTEGER,intent(in)	itype_scf,
		INTEGER,intent(in)	iproc,
		INTEGER,intent(in)	nproc,
		REAL(KIND=dp),dimension(n1k, n2k, n3k/nproc),intent(out)	karray,
		INTEGER,intent(in)	mpi_group,
		TYPE(cp_error_type),intent(inout)	error
	)		[private]

Build the kernel of a gaussian function for interpolating scaling functions. Do the parallel HalFFT of the symmetrized function and stores into memory only 1/8 of the grid divided by the number of processes nproc.

Build the kernel (karray) of a gaussian function for interpolating scaling functions $$ K(j) = (x) g_k(x'-x) (x'- j) dx dx' $$

Parameters:

n	01,n02,n03 : Mesh dimensions of the density
nfft	1,nfft2,nfft3 : Dimensions of the FFT grid (HalFFT in the third direction)
n	1k,n2k,n3k : Dimensions of the kernel FFT
hgrid	Mesh step
itype_scf	Order of the scaling function (8,14,16)

Author:

T. Deutsch, L. Genovese

Date:

February 2006

Definition at line 840 of file ps_wavelet_kernel.f90.

References CPPostcondition, error, gequad(), kernelfft(), and ps_wavelet_scaling_function::scaling_function().

Referenced by createKernel().

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subroutine ps_wavelet_kernel::gequad	(	INTEGER	nterms,
		REAL(KIND=dp),dimension(*)	p,
		REAL(KIND=dp),dimension(*)	w,
		REAL(KIND=dp)	urange,
		REAL(KIND=dp)	drange,
		REAL(KIND=dp)	acc
	)		[private]

Definition at line 1408 of file ps_wavelet_kernel.f90.

Referenced by Free_Kernel().

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subroutine ps_wavelet_kernel::indices	(	INTEGER,intent(out)	var_realimag,
		INTEGER,intent(in)	nelem,
		INTEGER,intent(in)	intrn,
		INTEGER,intent(in)	extrn,
		INTEGER,intent(out)	index
	)		[private]

Definition at line 800 of file ps_wavelet_kernel.f90.

Referenced by Surfaces_Kernel().

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subroutine ps_wavelet_kernel::inserthalf	(	INTEGER,intent(in)	n1,
		INTEGER,intent(in)	n3,
		INTEGER,intent(in)	lot,
		INTEGER,intent(in)	nfft,
		INTEGER,intent(in)	i1,
		REAL(KIND=dp),dimension(n1/2+1, n3/2+1),intent(in)	zf,
		REAL(KIND=dp),dimension(2, lot, n3/2),intent(out)	zw
	)		[private]

Definition at line 1040 of file ps_wavelet_kernel.f90.

Referenced by kernelfft().

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subroutine ps_wavelet_kernel::kernelfft	(	INTEGER,intent(in)	n1,
		INTEGER,intent(in)	n2,
		INTEGER,intent(in)	n3,
		INTEGER,intent(in)	nd1,
		INTEGER,intent(in)	nd2,
		INTEGER,intent(in)	nd3,
		INTEGER,intent(in)	nk1,
		INTEGER,intent(in)	nk2,
		INTEGER,intent(in)	nk3,
		INTEGER,intent(in)	nproc,
		INTEGER,intent(in)	iproc,
		REAL(KIND=dp),dimension(n1/2+1, n3/2+1, nd2/nproc),intent(in)	zf,
		REAL(KIND=dp),dimension(nk1, nk2, nk3/nproc),intent(inout)	zr,
		INTEGER,intent(in)	mpi_group,
		TYPE(cp_error_type),intent(inout)	error
	)		[private]

(Based on suitable modifications of S.Goedecker routines) Calculates the FFT of the distributed kernel

Restrictions

Copyright (C) Stefan Goedecker, Cornell University, Ithaca, USA, 1994 Copyright (C) Stefan Goedecker, MPI Stuttgart, Germany, 1999 Copyright (C) 2002 Stefan Goedecker, CEA Grenoble This file is distributed under the terms of the GNU General Public License, see http://www.gnu.org/copyleft/gpl.txt .

Parameters:

zf	Real kernel (input) zf(i1,i2,i3)
zr	Distributed Kernel FFT zr(2,i1,i2,i3)
nproc	number of processors used as returned by MPI_COMM_SIZE
iproc	[0:nproc-1] number of processor as returned by MPI_COMM_RANK
n	1,n2,n3: logical dimension of the transform. As transform lengths most products of the prime factors 2,3,5 are allowed. The detailed table with allowed transform lengths can be found in subroutine CTRIG
nd	1,nd2,nd3: Dimensions of work arrays

Author:

S. Goedecker, L. Genovese

Date:

February 2006

Definition at line 1087 of file ps_wavelet_kernel.f90.

References CPPostcondition, ctrig(), fftstp(), inserthalf(), mpiswitch(), realcopy(), ps_wavelet_base::scramble_unpack(), and switch().

Referenced by Free_Kernel().

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subroutine ps_wavelet_kernel::mpiswitch	(	INTEGER	j3,
		INTEGER	nfft,
		INTEGER	Jp2st,
		INTEGER	J2st,
		INTEGER	lot,
		INTEGER	n1,
		INTEGER	nd2,
		INTEGER	nd3,
		INTEGER	nproc,
		REAL(KIND=dp),dimension(2,n1,nd2/nproc,nd3/nproc,nproc)	zmpi1,
		REAL(KIND=dp),dimension(2,lot,n1)	zw
	)		[private]

Definition at line 1382 of file ps_wavelet_kernel.f90.

Referenced by kernelfft().

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subroutine ps_wavelet_kernel::realcopy	(	INTEGER,intent(in)	lot,
		INTEGER,intent(in)	nfft,
		INTEGER,intent(in)	n2,
		INTEGER,intent(in)	nk1,
		INTEGER,intent(in)	nk2,
		REAL(KIND=dp),dimension(2, lot, n2),intent(in)	zin,
		REAL(KIND=dp),dimension(nk1, nk2),intent(inout)	zout
	)		[private]

Definition at line 1348 of file ps_wavelet_kernel.f90.

Referenced by kernelfft().

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subroutine ps_wavelet_kernel::Surfaces_Kernel	(	INTEGER,intent(in)	n1,
		INTEGER,intent(in)	n2,
		INTEGER,intent(in)	n3,
		INTEGER,intent(in)	m3,
		INTEGER,intent(in)	nker1,
		INTEGER,intent(in)	nker2,
		INTEGER,intent(in)	nker3,
		REAL(KIND=dp),intent(in)	h1,
		REAL(KIND=dp),intent(in)	h2,
		REAL(KIND=dp),intent(in)	h3,
		INTEGER,intent(in)	itype_scf,
		REAL(KIND=dp),dimension(nker1, nker2, nker3/nproc),intent(out)	karray,
		INTEGER,intent(in)	iproc,
		INTEGER,intent(in)	nproc,
		INTEGER,intent(in)	mpi_group,
		TYPE(cp_error_type),intent(inout)	error
	)		[private]

Build the kernel of the Poisson operator with surfaces Boundary conditions in an interpolating scaling functions basis. Beware of the fact that the nonperiodic direction is y!

Parameters:

n	1,n2,n3 : Dimensions for the FFT
m	3 : Actual dimension in non-periodic direction
nker	1,nker2,nker3: Dimensions of the kernel (nker3=n3/2+1) nker(1,2)=n(1,2)/2+1
h	1,h2,h3 : Mesh steps in the three dimensions
itype_scf	Order of the scaling function
iproc,nproc	: Number of process, number of processes
karray	output array

Author:

L. Genovese

Date:

October 2006

Definition at line 212 of file ps_wavelet_kernel.f90.

References calculates_green_opt(), calculates_green_opt_muzero(), CPPostcondition, ctrig(), error, fftstp(), indices(), and ps_wavelet_scaling_function::scaling_function().

Referenced by createKernel().

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subroutine ps_wavelet_kernel::switch	(	INTEGER	nfft,
		INTEGER	n2,
		INTEGER	lot,
		INTEGER	n1,
		INTEGER	lzt,
		REAL(KIND=dp),dimension(2,lzt,n1)	zt,
		REAL(KIND=dp),dimension(2,lot,n2)	zw
	)		[private]

Definition at line 1366 of file ps_wavelet_kernel.f90.

Referenced by kernelfft().

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Variable Documentation

CHARACTER(len=*),parameter,private ps_wavelet_kernel::moduleN = 'ps_wavelet_kernel'

Definition at line 28 of file ps_wavelet_kernel.f90.