90 integer :: batch_capacity = 1
91 integer :: batch_size = 1
93 real(real64),
pointer,
contiguous :: dRS(:, :, :, :) => null()
94 complex(real64),
pointer,
contiguous :: zRS(:, :, :, :) => null()
95 complex(real64),
pointer,
contiguous :: FS(:, :, :, :) => null()
97 real(real32),
pointer,
contiguous :: sRS(:, :, :, :) => null()
98 complex(real32),
pointer,
contiguous :: cRS(:, :, :, :) => null()
99 complex(real32),
pointer,
contiguous :: cFS(:, :, :, :) => null()
100 logical :: forced_alloc = .false.
101 logical :: in_device_memory = .false.
102 type(accel_mem_t) :: real_space_buffer
103 type(accel_mem_t) :: fourier_space_buffer
145 type(cube_t),
target,
intent(in) :: cube
146 type(cube_function_t),
intent(inout) :: cf
147 logical,
optional,
intent(in) :: force_alloc
149 integer :: n1, n2, n3
150 logical :: is_allocated
154 assert(.not.
associated(cf%fs))
155 assert(
allocated(cube%fft))
159 cf%batch_capacity = cube%batch_capacity
161 n1 = max(1, cube%fs_n(1))
162 n2 = max(1, cube%fs_n(2))
163 n3 = max(1, cube%fs_n(3))
165 is_allocated = .false.
167 select case (cube%fft%library)
169 if (.not. cf%forced_alloc)
then
170 is_allocated = .
true.
171 if (any(cube%fs_n(1:3) == 0))
then
172 cf%fs => cube%fft%fs_data(1:1,1:1,1:1,1:cf%batch_capacity)
174 cf%fs => cube%fft%fs_data(1:n3,1:n1,1:n2,1:cf%batch_capacity)
177 is_allocated = .
true.
178 safe_allocate(cf%fs(1:n3, 1:n1, 1:n2, 1:cf%batch_capacity))
181 if (cf%in_device_memory)
then
182 is_allocated = .
true.
184 int(cf%batch_capacity, int64) * product(int(cube%fs_n(1:3), int64)))
188 if (.not. cf%forced_alloc)
then
190 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)
194 if (.not. is_allocated)
then
195 safe_allocate(cf%fs(1:cube%fs_n(1), 1:cube%fs_n(2), 1:cube%fs_n(3), 1:cf%batch_capacity))
204 type(cube_t),
intent(in) :: cube
205 type(cube_function_t),
intent(inout) :: cf
207 logical :: deallocated
211 assert(
allocated(cube%fft))
213 deallocated = .false.
215 select case (cube%fft%library)
217 if (.not. cf%forced_alloc)
then
222 if (cf%in_device_memory)
then
227 if (.not. cf%forced_alloc)
then
233 if (.not. deallocated)
then
234 assert(
associated(cf%fs))
235 safe_deallocate_p(cf%fs)
245 type(
cube_t),
target,
intent(in) :: cube
250 assert(.not.
associated(cf%cFS))
251 assert(
allocated(cube%fft))
253 assert(cube%fft%single)
255 cf%batch_capacity = cube%batch_capacity
257 if (cube%fft%library ==
fftlib_accel .and. cf%in_device_memory)
then
259 int(cf%batch_capacity, int64) * product(int(cube%fs_n(1:3), int64)))
260 else if (.not. cf%forced_alloc .and. cube%fft%aligned_memory)
then
261 cf%cFS => cube%fft%cfs_data(1:cube%fs_n(1), 1:cube%fs_n(2), 1:cube%fs_n(3), 1:cf%batch_capacity)
263 safe_allocate(cf%cFS(1:cube%fs_n(1), 1:cube%fs_n(2), 1:cube%fs_n(3), 1:cf%batch_capacity))
271 type(
cube_t),
intent(in) :: cube
276 if (cube%fft%library ==
fftlib_accel .and. cf%in_device_memory)
then
278 else if (.not. cf%forced_alloc .and. cube%fft%aligned_memory)
then
281 safe_deallocate_p(cf%cFS)
295 type(
cube_t),
intent(in) :: cube
296 trivial = cube%cube_map_present .and.
allocated(cube%cube_map%map)
297 if (.not. trivial)
return
301 trivial = cube%cube_map%is_trivial .and. &
302 cube%cube_map%nmap == cube%rs_n(2) * cube%rs_n(3) .and. &
303 cube%cube_map%map(
mcm_count, 1) == cube%rs_n(1) .and. &
304 cube%cube_map%map(1, 1) + cube%center(1) == 1 .and. &
305 cube%cube_map%map(2, 1) + cube%center(2) == 1 .and. &
306 cube%cube_map%map(3, 1) + cube%center(3) == 1
311#include "cube_function_inc.F90"
314#include "complex.F90"
315#include "cube_function_inc.F90"
319#include "cube_function_inc.F90"
322#include "complex32.F90"
323#include "cube_function_inc.F90"
subroutine, public accel_free_buffer(this, async)
integer, parameter, public accel_mem_read_write
real(real64) function, public dcube_function_surface_average(cube, cf)
This function calculates the surface average of any function.
subroutine scube_to_mesh_1(cube, cf, mesh, mf)
Convert a single function from the cube to the mesh.
subroutine ccube_to_mesh_1(cube, cf, mesh, mf)
Convert a single function from the cube to the mesh.
complex(real64) function, public zcube_function_surface_average(cube, cf)
This function calculates the surface average of any function.
subroutine ccube_to_mesh_2(cube, cf, mesh, mf, mf_buffer)
Convert a set of functions from the cube to the mesh.
subroutine dcube_to_mesh_1(cube, cf, mesh, mf)
Convert a single function from the cube to the mesh.
subroutine, public dcube_function_rs2fs(cube, cf)
Fourier transform a cube function from real space to Fourier space.
subroutine zcube_to_mesh_2(cube, cf, mesh, mf, mf_buffer)
Convert a set of functions from the cube to the mesh.
subroutine scube_to_mesh_2(cube, cf, mesh, mf, mf_buffer)
Convert a set of functions from the cube to the mesh.
subroutine, public scube_function_rs2fs(cube, cf)
The next subroutines (domain-parallel mesh<->cube and submesh<->cube) are double-precision only; the ...
subroutine, public ccube_function_rs2fs(cube, cf)
The next subroutines (domain-parallel mesh<->cube and submesh<->cube) are double-precision only; the ...
subroutine, public dcube_to_submesh(cube, cf, sm, mf)
subroutine, public cube_function_free_fs(cube, cf)
Deallocates the Fourier space buffer of the cube function.
subroutine, public scube_function_alloc_rs(cube, cf, in_device, force_alloc)
Allocates locally the real space grid, if PFFT library is not used. Otherwise, it assigns the PFFT re...
subroutine, public ccube_function_alloc_rs(cube, cf, in_device, force_alloc)
The next subroutines (domain-parallel mesh<->cube and submesh<->cube) are double-precision only; the ...
subroutine, public scube_function_fs2rs(cube, cf)
Fourier transform a cube function from Fourier space to real space.
subroutine dmesh_to_cube_2(mesh, mf, cube, cf, mf_buffer)
Convert a set of functions from the mesh to the cube.
subroutine, public dcube_function_allgather(cube, cf, cf_local, order, gatherfs)
The next subroutines (domain-parallel mesh<->cube and submesh<->cube) are double-precision only; the ...
subroutine, public zcube_to_mesh_parallel(cube, cf, mesh, mf, map)
subroutine, public cube_function_alloc_fs_single(cube, cf)
Allocate the single-precision (complex32) Fourier-space buffer cfcFS. Host, serial,...
subroutine, public dcube_function_alloc_rs(cube, cf, in_device, force_alloc)
Allocates locally the real space grid, if PFFT library is not used. Otherwise, it assigns the PFFT re...
subroutine zmesh_to_cube_1(mesh, mf, cube, cf)
Convert a single function from the mesh to the cube.
subroutine, public zcube_to_submesh(cube, cf, sm, mf)
pure logical function, public cube_map_is_trivial(cube)
True when the cube_map describes a trivial mesh->cube identity: the mesh is X-fastest with one full-X...
subroutine smesh_to_cube_1(mesh, mf, cube, cf)
Convert a single function from the mesh to the cube.
subroutine, public zmesh_to_cube_parallel(mesh, mf, cube, cf, map)
The next subroutines (domain-parallel mesh<->cube and submesh<->cube) are double-precision only; the ...
subroutine, public dcube_function_free_rs(cube, cf)
Deallocates the real space grid.
subroutine, public ccube_function_free_rs(cube, cf)
Deallocates the real space grid.
subroutine dmesh_to_cube_1(mesh, mf, cube, cf)
Convert a single function from the mesh to the cube.
subroutine, public dsubmesh_to_cube(sm, mf, cube, cf)
The next two subroutines convert a function between a submesh and the cube.
subroutine zmesh_to_cube_2(mesh, mf, cube, cf, mf_buffer)
Convert a set of functions from the mesh to the cube.
subroutine smesh_to_cube_2(mesh, mf, cube, cf, mf_buffer)
Convert a set of functions from the mesh to the cube.
subroutine, public cube_function_alloc_fs(cube, cf, force_alloc)
Allocates the local part of the Fourier space grid on the cube function.
subroutine, public zsubmesh_to_cube(sm, mf, cube, cf)
The next two subroutines convert a function between a submesh and the cube.
subroutine, public zcube_function_allgather(cube, cf, cf_local, order, gatherfs)
The next subroutines (domain-parallel mesh<->cube and submesh<->cube) are double-precision only; the ...
subroutine, public dmesh_to_cube_parallel(mesh, mf, cube, cf, map)
The next subroutines (domain-parallel mesh<->cube and submesh<->cube) are double-precision only; the ...
subroutine, public zcube_function_fs2rs(cube, cf)
Fourier transform a cube function from Fourier space to real space.
subroutine, public dcube_function_fs2rs(cube, cf)
Fourier transform a cube function from Fourier space to real space.
subroutine dcube_to_mesh_2(cube, cf, mesh, mf, mf_buffer)
Convert a set of functions from the cube to the mesh.
subroutine, public zcube_function_free_rs(cube, cf)
Deallocates the real space grid.
subroutine, public ccube_function_fs2rs(cube, cf)
Fourier transform a cube function from Fourier space to real space.
subroutine cmesh_to_cube_2(mesh, mf, cube, cf, mf_buffer)
Convert a set of functions from the mesh to the cube.
subroutine, public scube_function_free_rs(cube, cf)
Deallocates the real space grid.
subroutine, public dcube_to_mesh_parallel(cube, cf, mesh, mf, map)
subroutine, public cube_function_free_fs_single(cube, cf)
subroutine, public zcube_function_rs2fs(cube, cf)
Fourier transform a cube function from real space to Fourier space.
subroutine cmesh_to_cube_1(mesh, mf, cube, cf)
Convert a single function from the mesh to the cube.
subroutine, public zcube_function_alloc_rs(cube, cf, in_device, force_alloc)
Allocates locally the real space grid, if PFFT library is not used. Otherwise, it assigns the PFFT re...
subroutine zcube_to_mesh_1(cube, cf, mesh, mf)
Convert a single function from the cube to the mesh.
Fast Fourier Transform module. This module provides a single interface that works with different FFT ...
integer, parameter, public fftlib_accel
integer, parameter, public fftlib_pfft
integer, parameter, public fftlib_fftw
This module is intended to contain "only mathematical" functions and procedures.
integer, parameter, public mcm_count
This module defines the meshes, which are used in Octopus.
Some general things and nomenclature:
This module is an helper to perform ring-pattern communications among all states.
type(type_t), parameter, public type_cmplx_single
type(type_t), parameter, public type_cmplx