Octopus
cube_function_oct_m Module Reference

Data Types

type  cube_function_t
 
interface  dcube_to_mesh
 
interface  dmesh_to_cube
 
interface  zcube_to_mesh
 
interface  zmesh_to_cube
 

Functions/Subroutines

subroutine, public cube_function_alloc_fs (cube, cf, force_alloc)
 Allocates the local part of the Fourier space grid on the cube function. More...
 
subroutine, public cube_function_free_fs (cube, cf)
 Deallocates the Fourier space buffer of the cube function. More...
 
pure logical function 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-row segment per (iy, iz) pair, and the cube has the same dimensions as the mesh. The mapping then degenerates to a flat memcopy. Holds for 3D periodic systems with MeshOrder = order_cube and no domain decomposition. More...
 
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 real space grid to the cube real space grid, via pointer. More...
 
subroutine, public dcube_function_free_rs (cube, cf)
 Deallocates the real space grid. More...
 
subroutine, public dcube_function_allgather (cube, cf, cf_local, order, gatherfs)
 
subroutine, public dcube_function_rs2fs (cube, cf)
 Fourier transform a cube function from real space to Fourier space. More...
 
subroutine, public dcube_function_fs2rs (cube, cf)
 Fourier transform a cube function from Fourier space to real space. More...
 
subroutine dcube_map_ring_exchange (mpi_grp, send_mf, n_send_mf, recv_mf, n_recv_mf, send_map, n_send_map, recv_map, n_recv_map, send_proc, recv_proc)
 One ring step of the domain-parallel mesh-to-cube exchange. More...
 
subroutine dmesh_to_cube_1 (mesh, mf, cube, cf)
 Convert a single function from the mesh to the cube. More...
 
subroutine dmesh_to_cube_2 (mesh, mf, cube, cf, mf_buffer)
 Convert a set of functions from the mesh to the cube. More...
 
subroutine dcube_to_mesh_1 (cube, cf, mesh, mf)
 Convert a single function from the cube to the mesh. More...
 
subroutine dcube_to_mesh_2 (cube, cf, mesh, mf, mf_buffer)
 Convert a set of functions from the cube to the mesh. More...
 
subroutine, public dmesh_to_cube_parallel (mesh, mf, cube, cf, map)
 The next two subroutines convert a function between the normal mesh and the cube in parallel. More...
 
subroutine, public dcube_to_mesh_parallel (cube, cf, mesh, mf, map)
 
real(real64) function, public dcube_function_surface_average (cube, cf)
 This function calculates the surface average of any function. More...
 
subroutine, public dsubmesh_to_cube (sm, mf, cube, cf)
 The next two subroutines convert a function between a submesh and the cube. More...
 
subroutine, public dcube_to_submesh (cube, cf, sm, mf)
 
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 real space grid to the cube real space grid, via pointer. More...
 
subroutine, public zcube_function_free_rs (cube, cf)
 Deallocates the real space grid. More...
 
subroutine, public zcube_function_allgather (cube, cf, cf_local, order, gatherfs)
 
subroutine, public zcube_function_rs2fs (cube, cf)
 Fourier transform a cube function from real space to Fourier space. More...
 
subroutine, public zcube_function_fs2rs (cube, cf)
 Fourier transform a cube function from Fourier space to real space. More...
 
subroutine zcube_map_ring_exchange (mpi_grp, send_mf, n_send_mf, recv_mf, n_recv_mf, send_map, n_send_map, recv_map, n_recv_map, send_proc, recv_proc)
 One ring step of the domain-parallel mesh-to-cube exchange. More...
 
subroutine zmesh_to_cube_1 (mesh, mf, cube, cf)
 Convert a single function from the mesh to the cube. More...
 
subroutine zmesh_to_cube_2 (mesh, mf, cube, cf, mf_buffer)
 Convert a set of functions from the mesh to the cube. More...
 
subroutine zcube_to_mesh_1 (cube, cf, mesh, mf)
 Convert a single function from the cube to the mesh. More...
 
subroutine zcube_to_mesh_2 (cube, cf, mesh, mf, mf_buffer)
 Convert a set of functions from the cube to the mesh. More...
 
subroutine, public zmesh_to_cube_parallel (mesh, mf, cube, cf, map)
 The next two subroutines convert a function between the normal mesh and the cube in parallel. More...
 
subroutine, public zcube_to_mesh_parallel (cube, cf, mesh, mf, map)
 
complex(real64) function, public zcube_function_surface_average (cube, cf)
 This function calculates the surface average of any function. More...
 
subroutine, public zsubmesh_to_cube (sm, mf, cube, cf)
 The next two subroutines convert a function between a submesh and the cube. More...
 
subroutine, public zcube_to_submesh (cube, cf, sm, mf)
 

Function/Subroutine Documentation

◆ cube_function_alloc_fs()

subroutine, public cube_function_oct_m::cube_function_alloc_fs ( type(cube_t), intent(in), target  cube,
type(cube_function_t), intent(inout)  cf,
logical, intent(in), optional  force_alloc 
)

Allocates the local part of the Fourier space grid on the cube function.

If PFFT is used, it assigns the Fourier space grid to the cube Fourier space grid, via a pointer.

Definition at line 204 of file cube_function.F90.

◆ cube_function_free_fs()

subroutine, public cube_function_oct_m::cube_function_free_fs ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(inout)  cf 
)

Deallocates the Fourier space buffer of the cube function.

Definition at line 263 of file cube_function.F90.

◆ cube_map_is_trivial()

pure logical function cube_function_oct_m::cube_map_is_trivial ( type(cube_t), intent(in)  cube)
private

True when the cube_map describes a trivial mesh->cube identity: the mesh is X-fastest with one full-X-row segment per (iy, iz) pair, and the cube has the same dimensions as the mesh. The mapping then degenerates to a flat memcopy. Holds for 3D periodic systems with MeshOrder = order_cube and no domain decomposition.

Definition at line 308 of file cube_function.F90.

◆ dcube_function_alloc_rs()

subroutine, public cube_function_oct_m::dcube_function_alloc_rs ( type(cube_t), intent(in), target  cube,
type(cube_function_t), intent(inout)  cf,
logical, intent(in), optional  in_device,
logical, intent(in), optional  force_alloc 
)

Allocates locally the real space grid, if PFFT library is not used. Otherwise, it assigns the PFFT real space grid to the cube real space grid, via pointer.

Definition at line 396 of file cube_function.F90.

◆ dcube_function_free_rs()

subroutine, public cube_function_oct_m::dcube_function_free_rs ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(inout)  cf 
)

Deallocates the real space grid.

Definition at line 451 of file cube_function.F90.

◆ dcube_function_allgather()

subroutine, public cube_function_oct_m::dcube_function_allgather ( type(cube_t), intent(in)  cube,
real(real64), dimension(:,:,:), intent(out)  cf,
real(real64), dimension(:,:,:), intent(in), contiguous  cf_local,
integer, dimension(3), intent(in), optional  order,
logical, intent(in), optional  gatherfs 
)

Definition at line 491 of file cube_function.F90.

◆ dcube_function_rs2fs()

subroutine, public cube_function_oct_m::dcube_function_rs2fs ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(inout)  cf 
)

Fourier transform a cube function from real space to Fourier space.

Note that the dimensions of the function in fs are different depending on whether f is real or complex, because the FFT representation is different (FFTW scheme).

Definition at line 517 of file cube_function.F90.

◆ dcube_function_fs2rs()

subroutine, public cube_function_oct_m::dcube_function_fs2rs ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(inout)  cf 
)

Fourier transform a cube function from Fourier space to real space.

Definition at line 539 of file cube_function.F90.

◆ dcube_map_ring_exchange()

subroutine cube_function_oct_m::dcube_map_ring_exchange ( type(mpi_grp_t), intent(in)  mpi_grp,
real(real64), dimension(:, :), intent(in), contiguous  send_mf,
integer, intent(in)  n_send_mf,
real(real64), dimension(:, :), intent(inout), contiguous  recv_mf,
integer, intent(in)  n_recv_mf,
integer, dimension(:, :), intent(in), contiguous  send_map,
integer, intent(in)  n_send_map,
integer, dimension(:, :), intent(inout), contiguous  recv_map,
integer, intent(in)  n_recv_map,
integer, intent(in)  send_proc,
integer, intent(in)  recv_proc 
)
private

One ring step of the domain-parallel mesh-to-cube exchange.

Definition at line 563 of file cube_function.F90.

◆ dmesh_to_cube_1()

subroutine cube_function_oct_m::dmesh_to_cube_1 ( class(mesh_t), intent(in)  mesh,
real(real64), dimension(:), intent(in), target, contiguous  mf,
type(cube_t), intent(in), target  cube,
type(cube_function_t), intent(inout)  cf 
)
private

Convert a single function from the mesh to the cube.

Parameters
[in]mfA function defined on the mesh,

Definition at line 596 of file cube_function.F90.

◆ dmesh_to_cube_2()

subroutine cube_function_oct_m::dmesh_to_cube_2 ( class(mesh_t), intent(in)  mesh,
real(real64), dimension(:, :), intent(in), optional, target, contiguous  mf,
type(cube_t), intent(in), target  cube,
type(cube_function_t), intent(inout)  cf,
type(accel_mem_t), intent(in), optional, target  mf_buffer 
)
private

Convert a set of functions from the mesh to the cube.

Parameters
[in]mfA batch of functions defined on the mesh,
[in]mf_bufferDevice-resident source buffer for the GPU path. This is mutually exclusive with mf.

Definition at line 617 of file cube_function.F90.

◆ dcube_to_mesh_1()

subroutine cube_function_oct_m::dcube_to_mesh_1 ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(in)  cf,
class(mesh_t), intent(in)  mesh,
real(real64), dimension(:), intent(out), target, contiguous  mf 
)
private

Convert a single function from the cube to the mesh.

Parameters
[in]cfcube function
[out]mfA function defined on the mesh,

Definition at line 910 of file cube_function.F90.

◆ dcube_to_mesh_2()

subroutine cube_function_oct_m::dcube_to_mesh_2 ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(in)  cf,
class(mesh_t), intent(in)  mesh,
real(real64), dimension(:, :), intent(out), optional, target, contiguous  mf,
type(accel_mem_t), intent(inout), optional, target  mf_buffer 
)
private

Convert a set of functions from the cube to the mesh.

Parameters
[in]cfcube function
[out]mfA batch of functions defined on the mesh,
[in,out]mf_bufferDevice-resident destination buffer for the GPU path. This is mutually exclusive with mf.

Definition at line 931 of file cube_function.F90.

◆ dmesh_to_cube_parallel()

subroutine, public cube_function_oct_m::dmesh_to_cube_parallel ( class(mesh_t), intent(in)  mesh,
real(real64), dimension(:), intent(in), target  mf,
type(cube_t), intent(in)  cube,
type(cube_function_t), intent(inout)  cf,
type(mesh_cube_parallel_map_t), intent(in)  map 
)

The next two subroutines convert a function between the normal mesh and the cube in parallel.

Parameters
[in]mfmf(meshnp)

Definition at line 1071 of file cube_function.F90.

◆ dcube_to_mesh_parallel()

subroutine, public cube_function_oct_m::dcube_to_mesh_parallel ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(in)  cf,
class(mesh_t), intent(in)  mesh,
real(real64), dimension(:), intent(out)  mf,
type(mesh_cube_parallel_map_t), intent(in)  map 
)
Parameters
[out]mfmf(meshnp)

Definition at line 1164 of file cube_function.F90.

◆ dcube_function_surface_average()

real(real64) function, public cube_function_oct_m::dcube_function_surface_average ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(in)  cf 
)

This function calculates the surface average of any function.

Warning
Some more careful testing should be done on this.

Definition at line 1241 of file cube_function.F90.

◆ dsubmesh_to_cube()

subroutine, public cube_function_oct_m::dsubmesh_to_cube ( type(submesh_t), intent(in)  sm,
real(real64), dimension(:), intent(in), target  mf,
type(cube_t), intent(in)  cube,
type(cube_function_t), intent(inout)  cf 
)

The next two subroutines convert a function between a submesh and the cube.

Parameters
[in]mffunction defined on the submesh.

Definition at line 1294 of file cube_function.F90.

◆ dcube_to_submesh()

subroutine, public cube_function_oct_m::dcube_to_submesh ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(in)  cf,
type(submesh_t), intent(in)  sm,
real(real64), dimension(:), intent(out), target  mf 
)
Parameters
[out]mffunction defined on the submesh.

Definition at line 1387 of file cube_function.F90.

◆ zcube_function_alloc_rs()

subroutine, public cube_function_oct_m::zcube_function_alloc_rs ( type(cube_t), intent(in), target  cube,
type(cube_function_t), intent(inout)  cf,
logical, intent(in), optional  in_device,
logical, intent(in), optional  force_alloc 
)

Allocates locally the real space grid, if PFFT library is not used. Otherwise, it assigns the PFFT real space grid to the cube real space grid, via pointer.

Definition at line 1528 of file cube_function.F90.

◆ zcube_function_free_rs()

subroutine, public cube_function_oct_m::zcube_function_free_rs ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(inout)  cf 
)

Deallocates the real space grid.

Definition at line 1583 of file cube_function.F90.

◆ zcube_function_allgather()

subroutine, public cube_function_oct_m::zcube_function_allgather ( type(cube_t), intent(in)  cube,
complex(real64), dimension(:,:,:), intent(out)  cf,
complex(real64), dimension(:,:,:), intent(in), contiguous  cf_local,
integer, dimension(3), intent(in), optional  order,
logical, intent(in), optional  gatherfs 
)

Definition at line 1623 of file cube_function.F90.

◆ zcube_function_rs2fs()

subroutine, public cube_function_oct_m::zcube_function_rs2fs ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(inout)  cf 
)

Fourier transform a cube function from real space to Fourier space.

Note that the dimensions of the function in fs are different depending on whether f is real or complex, because the FFT representation is different (FFTW scheme).

Definition at line 1649 of file cube_function.F90.

◆ zcube_function_fs2rs()

subroutine, public cube_function_oct_m::zcube_function_fs2rs ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(inout)  cf 
)

Fourier transform a cube function from Fourier space to real space.

Definition at line 1671 of file cube_function.F90.

◆ zcube_map_ring_exchange()

subroutine cube_function_oct_m::zcube_map_ring_exchange ( type(mpi_grp_t), intent(in)  mpi_grp,
complex(real64), dimension(:, :), intent(in), contiguous  send_mf,
integer, intent(in)  n_send_mf,
complex(real64), dimension(:, :), intent(inout), contiguous  recv_mf,
integer, intent(in)  n_recv_mf,
integer, dimension(:, :), intent(in), contiguous  send_map,
integer, intent(in)  n_send_map,
integer, dimension(:, :), intent(inout), contiguous  recv_map,
integer, intent(in)  n_recv_map,
integer, intent(in)  send_proc,
integer, intent(in)  recv_proc 
)
private

One ring step of the domain-parallel mesh-to-cube exchange.

Definition at line 1695 of file cube_function.F90.

◆ zmesh_to_cube_1()

subroutine cube_function_oct_m::zmesh_to_cube_1 ( class(mesh_t), intent(in)  mesh,
complex(real64), dimension(:), intent(in), target, contiguous  mf,
type(cube_t), intent(in), target  cube,
type(cube_function_t), intent(inout)  cf 
)
private

Convert a single function from the mesh to the cube.

Parameters
[in]mfA function defined on the mesh,

Definition at line 1728 of file cube_function.F90.

◆ zmesh_to_cube_2()

subroutine cube_function_oct_m::zmesh_to_cube_2 ( class(mesh_t), intent(in)  mesh,
complex(real64), dimension(:, :), intent(in), optional, target, contiguous  mf,
type(cube_t), intent(in), target  cube,
type(cube_function_t), intent(inout)  cf,
type(accel_mem_t), intent(in), optional, target  mf_buffer 
)
private

Convert a set of functions from the mesh to the cube.

Parameters
[in]mfA batch of functions defined on the mesh,
[in]mf_bufferDevice-resident source buffer for the GPU path. This is mutually exclusive with mf.

Definition at line 1749 of file cube_function.F90.

◆ zcube_to_mesh_1()

subroutine cube_function_oct_m::zcube_to_mesh_1 ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(in)  cf,
class(mesh_t), intent(in)  mesh,
complex(real64), dimension(:), intent(out), target, contiguous  mf 
)
private

Convert a single function from the cube to the mesh.

Parameters
[in]cfcube function
[out]mfA function defined on the mesh,

Definition at line 2042 of file cube_function.F90.

◆ zcube_to_mesh_2()

subroutine cube_function_oct_m::zcube_to_mesh_2 ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(in)  cf,
class(mesh_t), intent(in)  mesh,
complex(real64), dimension(:, :), intent(out), optional, target, contiguous  mf,
type(accel_mem_t), intent(inout), optional, target  mf_buffer 
)
private

Convert a set of functions from the cube to the mesh.

Parameters
[in]cfcube function
[out]mfA batch of functions defined on the mesh,
[in,out]mf_bufferDevice-resident destination buffer for the GPU path. This is mutually exclusive with mf.

Definition at line 2063 of file cube_function.F90.

◆ zmesh_to_cube_parallel()

subroutine, public cube_function_oct_m::zmesh_to_cube_parallel ( class(mesh_t), intent(in)  mesh,
complex(real64), dimension(:), intent(in), target  mf,
type(cube_t), intent(in)  cube,
type(cube_function_t), intent(inout)  cf,
type(mesh_cube_parallel_map_t), intent(in)  map 
)

The next two subroutines convert a function between the normal mesh and the cube in parallel.

Parameters
[in]mfmf(meshnp)

Definition at line 2203 of file cube_function.F90.

◆ zcube_to_mesh_parallel()

subroutine, public cube_function_oct_m::zcube_to_mesh_parallel ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(in)  cf,
class(mesh_t), intent(in)  mesh,
complex(real64), dimension(:), intent(out)  mf,
type(mesh_cube_parallel_map_t), intent(in)  map 
)
Parameters
[out]mfmf(meshnp)

Definition at line 2296 of file cube_function.F90.

◆ zcube_function_surface_average()

complex(real64) function, public cube_function_oct_m::zcube_function_surface_average ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(in)  cf 
)

This function calculates the surface average of any function.

Warning
Some more careful testing should be done on this.

Definition at line 2373 of file cube_function.F90.

◆ zsubmesh_to_cube()

subroutine, public cube_function_oct_m::zsubmesh_to_cube ( type(submesh_t), intent(in)  sm,
complex(real64), dimension(:), intent(in), target  mf,
type(cube_t), intent(in)  cube,
type(cube_function_t), intent(inout)  cf 
)

The next two subroutines convert a function between a submesh and the cube.

Parameters
[in]mffunction defined on the submesh.

Definition at line 2426 of file cube_function.F90.

◆ zcube_to_submesh()

subroutine, public cube_function_oct_m::zcube_to_submesh ( type(cube_t), intent(in)  cube,
type(cube_function_t), intent(in)  cf,
type(submesh_t), intent(in)  sm,
complex(real64), dimension(:), intent(out), target  mf 
)
Parameters
[out]mffunction defined on the submesh.

Definition at line 2519 of file cube_function.F90.