P3DFFT++ Fortran Reference

Setup and Grid Layout

In Fortran the grid structure is hidden and is operated on by integer handles.

p3dfft_setup

subroutine p3dfft_setup

Function: Called once in the beginning of use to initialize P3DFFT++.

p3dfft_cleanup

subroutine p3dfft_cleanup

Function: Called once before exit and after the use to free up P3DFFT++ structures.

p3dfft_init_grid

function p3dfft_init_grid(ldims, glob_start, gdims, dim_conj_sym, pgrid, proc_order, mem_order, mpicomm)

integer(C_INT) p3dfft_init_grid

Function: Initializes a new grid

IN
Argument Description
integer gdims(3) Three global grid dimensions (logical order - X, Y, Z).
integer dim_conj_sym Dimension of the array in which a little less than half of the elements are omitted due to conjugate symmetry. This argument should be non-negative only for complex-valued arrays resulting from real-to-complex FFT in the given dimension.
integer pgrid(3) Up to three dimensions of processor grid, decomposing the global grid array. Value = 1 means the grid is not decomposed but is local in that logical dimension.
integer proc_order(3) A permutation of the 3 integers: 0, 1 and 2. Specifies the topology of processor grid on the interconnect. The dimension with lower value means the MPI tasks in that dimension are closer in ranks, e.g. value=0 means the ranks are adjacent (stride=1), value=1 means they are speard out with the stride equal to the pgrid value of the dimension with stride=1 etc.
integer mem_order(3) A permutation of the 3 integers: 0, 1 and 2. Specifies mapping of the logical dimension and memory storage dimensions for local memory for each MPI task. mem_order(i0) = 0 means that the i0's logical dimension is stored with stride=1 in memory. Similarly, mem_order(i1) = 1 means that i1's logical dimension is stored with stride=ldims(i0) etc.
integer mpicomm The MPI communicator in which this grid lives.
OUT
Argument Description
integer ldims(3) Local dimensions of the grid for each MPI tasks, in order of logical dimensions numbering (XYZ). Essentially ldims = gdims / pgrid.
integer glob_start(3) Starting coordinates of the local portion of the grid within the global grid.

Return value: An integer handle of the initialized grid, to be used later by various routines accessing the grid.

p3dfft_free_grid_f

subroutine p3dfft_free_grid_f(grid)

Function: Frees the grid handle.

IN
Argument Description
integer(C_INT) grid The handle of the grid to be freed.

One-dimensional (1D) Transforms

The following predefined 1D transforms are available:

Transform Description
P3DFFT_EMPTY_TYPE Empty transform.
P3DFFT_R2CFFT_S, P3DFFT_R2CFFT_D Real-to-complex forward FFT (as defined in FFTW manual), in single and double precision respectively.
3DFFT_C2RFFT_S, 3DFFT_C2RFFT_D Complex-to-real backward FFT (as defined in FFTW manual), in single and double precision respectively.
3DFFT_CFFT_FORWARD_S, 3DFFT_CFFT_FORWARD_D Complex forward FFT (as defined in FFTW manual), in single and double precision respectively.
3DFFT_CFFT_BACKWARD_S, 3DFFT_CFFT_BACKWARD_D Complex backward FFT (as defined in FFTW manual), in single and double precision respectively.
3DFFT_DCT<x>_REAL_S, 3DFFT_DCT1_REAL_D Cosine transform for real-numbered data, in single and double precision, where <x> stands for the variant of the cosine transform, such as DCT1, DCT2, DCT3, or DCT4.
P3DFFT_DST<x>_REAL_S, P3DFFT_DST1_REAL_D Sine transform for real-numbered data, in single and double precision, where <x> stands for the variant of the cosine transform, such as DST1, DST2, DST3, or DST4.
P3DFFT_DCT<x>_COMPLEX_S, P3DFFT_DCT1_COMPLEX_D Cosine transform for complex-numbered data, in single and double precision, where <x> stands for the variant of the cosine transform, such as DCT1, DCT2, DCT3, or DCT4.
P3DFFT_DST<x>_COMPLEX_S, P3DFFT_DST1_COMPLEX_D Sine transform for complex-numbered data, in single and double precision, where <x> stands for the variant of the cosine transform, such as DST1, DST2, DST3, or DST4.

1D transform planning

function p3dfft_plan_1Dtrans_f(gridIn, gridOut, type, dim, inplace)

integer p3dfft_plan_1Dtrans

Function: Defines and plans a 1D transform of a 3D array in a given dimension.

IN
Argument Description
integer gridIn Initial grid handle.
integer gridOut Destination grid handle.
integer type 1D transform type.
integer dim Dimension rank of the 3D array which should be transformed. valid values are 0, 1, or 2. Note that this is the logical dimension rank (0 for X, 1 for Y, 2 for Z), and may not be the same as the storage dimension, which depends on mem_order member of gridIn and gridOut. The transform dimension of the grid is assumed to be MPI task-local.
integer inplace Nonzero value if the transform is in-place.

1D transform execution

subroutine p3dfft_exec_1Dtrans_single(mytrans,in,out)

subroutine p3dfft_exec_1Dtrans_double(mytrans,in,out)

Function: Executes a 1D transform of a 3D array, in single or double precision.

IN
Argument Description
mytrans The handle of a 1D transform predefined earlier with p3dfft_plan_1Dtrans.
in 3D array to be transformed
out Destination array (can be the same if inplace was nonzero when defining mytrans)

Note

  1. If inplace was not defined the input and output arrays must be non-overlapping.
  2. This transform is done in the dimension specified in p3dfft_plan_1Dtrans, and this dimension should be local for both input and output arrays.
  3. This subroutine can be called multiple times with the same mytrans and same or different in/out.

Three-dimensional transforms

3D transform planning

function p3dfft_plan_3Dtrans_f(gridIn,gridOut,type,inplace, overwrite)

integer p3dfft_plan_3Dtrans_f

Function: Defines and plans a 3D transform.

Argument Description
integer gridIn Initial grid handle
integer gridOut Destination grid handle
integer type(3) Three 1D transform types making up the desired 3D transform
integer inplace If nonzero, the transform takes place in-place
integer overwrite Nonzero if the input can be overwritten

Return value: A handle of the 3D transform

Note

The final grid may or may not be the same as the initial grid. First, in real-to-complex and complex-to-real transforms the global grid dimensions change for example from (n0,n1,n2) to (n0/2+1,n1,n2), since most applications attempt to save memory by using the conjugate symmetry of the Fourier transform of real data. Secondly, the final grid may have different processor distribution and memory ordering, since for example many applications with convolution and those solving partial differential equations do not need the initial grid configuration in Fourier space. The flow of these applications is typically 1) transform from physical to Fourier space, 2) apply convolution or derivative calculation in Fourier space, and 3) inverse FFT to physical space. Since forward FFT's last step is 1D FFT in the third dimension, it is more efficient to leave this dimension local and stride-1, and since the first step of the inverse FFT is to start with the third dimension 1D FFT, this format naturally fits the algorithm and results in big savings of time due to elimination of several extra transposes.

3D transform execution

subroutine p3dfft_exec_3Dtrans_single(mytrans,in,out)

subroutine p3dfft_exec_3Dtrans_double(mytrans,in,out)

Function: Executes a predefined 3D transform in single or double precision.

Argument Description
mytrans The handle of the predefined 3D transform
in Input array
out Output array

Note

This subroutine can be called multiple times for the same mytrans and same or different in/out.Input and output arrays are local portions of the global 3D array, assumed to be stored contiguously in memory following the definition of the grids in planning stage.

3D Spectral Derivative

p3dfft_exec_3Dtrans_single(mytrans, In, Out, idir)

p3dfft_exec_3Dtrans_double(mytrans, In, Out, idir)

Function: Execute 3D real-to-complex FFT, followed by spectral derivative calculation, i.e. multiplication by (ik), where i is the complex imaginary unit, and k is the wavenumber; in single or double precision, respectively.

Argument Description
In, Out Input and output arrays, assumed to be the local portion of the 3D grid array stored contiguously in memory, consistent with definition of Grid in planning stage.
integer idir The dimension where derivative is to be taken in (this is logical dimension, NOT storage mapped). Valid values are 0 - 2.

Note

  1. Unless inplace was defined in the planning stage of mytrans, In and Out must be non-overlapping.
  2. These functions can be used multiple times after the 3D transform has been defined and planned.