fourier_space.F90

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!! Copyright (C) 2002-2006 M. Marques, A. Castro, A. Rubio, G. Bertsch
!!
!! This program is free software; you can redistribute it and/or modify
!! it under the terms of the GNU General Public License as published by
!! the Free Software Foundation; either version 2, or (at your option)
!! any later version.
!!
!! This program is distributed in the hope that it will be useful,
!! but WITHOUT ANY WARRANTY; without even the implied warranty of
!! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
!! GNU General Public License for more details.
!!
!! You should have received a copy of the GNU General Public License
!! along with this program; if not, write to the Free Software
!! Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
!! 02110-1301, USA.
!!
 
#include "global.h"
 
module fourier_space_oct_m
  use accel_oct_m
  use cube_oct_m
  use cube_function_oct_m
  use debug_oct_m
  use global_oct_m
  use, intrinsic :: iso_fortran_env
  use math_oct_m
  use messages_oct_m
  use namespace_oct_m
  use fft_oct_m
#ifdef HAVE_OPENMP
  use omp_lib
#endif
#ifdef HAVE_PFFT
  use pfft_oct_m
#endif
  use profiling_oct_m
  use space_oct_m
  use types_oct_m
  use xc_cam_oct_m
 
  implicit none
  private
  public ::                     &
    cube_function_alloc_fs,     &
    cube_function_free_fs,      &
    dcube_function_rs2fs,       &
    zcube_function_rs2fs,       &
    dcube_function_fs2rs,       &
    zcube_function_fs2rs,       &
    fourier_space_op_t,         &
    dfourier_space_op_init,     &
    dfourier_space_op_apply,    &
    zfourier_space_op_init,     &
    zfourier_space_op_apply,    &
    fourier_space_op_end
 
  type fourier_space_op_t
    private
    real(real64),    allocatable :: dop(:, :, :)
    complex(real64), allocatable :: zop(:, :, :)
    logical           :: in_device_memory = .false.
    type(accel_mem_t) :: op_buffer
    logical           :: real_op
 
    !Parameters used to generate this kernel
    real(real64), allocatable, public :: qq(:)
    real(real64), public :: singularity = m_zero  
    real(real64), public :: mu = m_zero           
    real(real64), public :: alpha = m_zero        
    real(real64), public :: beta = m_zero         
 
  contains
    procedure :: init =>fourier_space_op_t_init
  end type fourier_space_op_t
 
  real(real64), parameter :: TOL_VANISHING_Q = 1e-6_real64
 
contains
 
  subroutine fourier_space_op_t_init(this, space, qq, cam, singularity)
    class(fourier_space_op_t), intent(inout) :: this
    class(space_t),            intent(in)    :: space
    real(real64),              intent(in)    :: qq(:)
    type(xc_cam_t),            intent(in)    :: cam
    real(real64),    optional, intent(in)    :: singularity
 
    real(real64), parameter :: vanishing_q = 1.0e-5_real64
 
    push_sub(fourier_space_op_t_init)
 
    safe_allocate(this%qq(1:space%dim))
 
    this%qq(1:space%periodic_dim) = qq(1:space%periodic_dim)
    this%qq(space%periodic_dim+1:space%dim) = vanishing_q
    this%singularity = optional_default(singularity, m_zero)
    this%mu = cam%omega
    this%alpha = cam%alpha
    this%beta = cam%beta
 
    pop_sub(fourier_space_op_t_init)
 
  end subroutine fourier_space_op_t_init
 
  ! ---------------------------------------------------------
  subroutine cube_function_alloc_fs(cube, cf, force_alloc)
    type(cube_t), target,  intent(in)    :: cube
    type(cube_function_t), intent(inout) :: cf
    logical, optional,     intent(in)    :: force_alloc
 
    integer :: n1, n2, n3
    logical :: is_allocated
 
    push_sub(cube_function_alloc_fs)
 
    assert(.not. associated(cf%fs))
    assert(allocated(cube%fft))
 
    cf%forced_alloc = optional_default(force_alloc, .false.)
    ! cf has no init, so assign here; preserve cf%batch_size (active count) set by the caller
    cf%batch_capacity = cube%batch_capacity
 
    n1 = max(1, cube%fs_n(1))
    n2 = max(1, cube%fs_n(2))
    n3 = max(1, cube%fs_n(3))
 
    is_allocated = .false.
 
    select case (cube%fft%library)
    case (fftlib_pfft)
      if (.not. cf%forced_alloc) then
        is_allocated = .true.
        if (any(cube%fs_n(1:3) == 0)) then
          cf%fs => cube%fft%fs_data(1:1,1:1,1:1,1:cf%batch_capacity)
        else
          cf%fs => cube%fft%fs_data(1:n3,1:n1,1:n2,1:cf%batch_capacity)
        end if
      else ! force allocate transposed with PFFT
        is_allocated = .true.
        safe_allocate(cf%fs(1:n3, 1:n1, 1:n2, 1:cf%batch_capacity))
      end if
    case (fftlib_accel)
      if (cf%in_device_memory) then
        is_allocated = .true.
        call accel_create_buffer(cf%fourier_space_buffer, accel_mem_read_write, type_cmplx, &
          int(cf%batch_capacity, int64) * product(int(cube%fs_n(1:3), int64)))
      end if
 
    case (fftlib_fftw)
      if (.not. cf%forced_alloc) then
        is_allocated = .true.
        cf%fs => cube%fft%fs_data(1:cube%fs_n(1), 1:cube%fs_n(2), 1:cube%fs_n(3), 1:cf%batch_capacity)
      end if
    end select
 
    if (.not. is_allocated) then
      safe_allocate(cf%fs(1:cube%fs_n(1), 1:cube%fs_n(2), 1:cube%fs_n(3), 1:cf%batch_capacity))
    end if
 
    pop_sub(cube_function_alloc_fs)
  end subroutine cube_function_alloc_fs
 
 
  ! ---------------------------------------------------------
  subroutine cube_function_free_fs(cube, cf)
    type(cube_t),          intent(in)    :: cube
    type(cube_function_t), intent(inout) :: cf
 
    logical :: deallocated
 
    push_sub(cube_function_free_fs)
 
    assert(allocated(cube%fft))
 
    deallocated = .false.
 
    select case (cube%fft%library)
    case (fftlib_pfft)
      if (.not. cf%forced_alloc) then
        deallocated = .true.
        nullify(cf%fs)
      end if
    case (fftlib_accel)
      if (cf%in_device_memory) then
        deallocated = .true.
        call accel_free_buffer(cf%fourier_space_buffer)
      end if
    case (fftlib_fftw)
      if (.not. cf%forced_alloc) then
        deallocated = .true.
        nullify(cf%fs)
      end if
    end select
 
    if (.not. deallocated) then
      assert(associated(cf%fs))
      safe_deallocate_p(cf%fs)
    end if
 
    pop_sub(cube_function_free_fs)
  end subroutine cube_function_free_fs
 
 
  ! ---------------------------------------------------------
  subroutine fourier_space_op_end(this)
    type(fourier_space_op_t), intent(inout) :: this
 
    push_sub(fourier_space_op_end)
 
    if (this%in_device_memory) then
      call accel_free_buffer(this%op_buffer)
      this%in_device_memory = .false.
    end if
    safe_deallocate_a(this%dop)
    safe_deallocate_a(this%zop)
    safe_deallocate_a(this%qq)
 
    pop_sub(fourier_space_op_end)
  end subroutine fourier_space_op_end
 
#include "undef.F90"
#include "real.F90"
#include "fourier_space_inc.F90"
 
#include "undef.F90"
#include "complex.F90"
#include "fourier_space_inc.F90"
 
end module fourier_space_oct_m
 
 
!! Local Variables:
!! mode: f90
!! coding: utf-8
!! End: