mirror of https://gitlab.com/QEF/q-e.git
682 lines
21 KiB
Fortran
682 lines
21 KiB
Fortran
!
|
|
! Copyright (C) Quantum ESPRESSO group
|
|
!
|
|
! This file is distributed under the terms of the
|
|
! GNU General Public License. See the file `License'
|
|
! in the root directory of the present distribution,
|
|
! or http://www.gnu.org/copyleft/gpl.txt .
|
|
!
|
|
!--------------------------------------------------------------------------!
|
|
! FFT scalar drivers Module - contains machine-dependent routines for !
|
|
! FFTW, FFTW3, ESSL (both 3d for serial execution and 1d+2d FFTs for !
|
|
! parallel execution; NEC ASL libraries (3d only, no parallel execution) !
|
|
! Written by Carlo Cavazzoni, modified by P. Giannozzi, contributions !
|
|
! by Martin Hilgemans, Guido Roma, Pascal Thibaudeau, Stephane Lefranc, !
|
|
! Nicolas Lacorne, Filippo Spiga, Nicola Varini - Last update Jul 2015 !
|
|
! stick and plane revision - Stefano de Gironcoli - September 2016
|
|
!--------------------------------------------------------------------------!
|
|
|
|
#if defined(__FFTW3)
|
|
|
|
#if defined(_OPENMP) && defined(__FFT_SCALAR_THREAD_SAFE)
|
|
! thread safety guard
|
|
#error FFTW3 is not compatible with __FFT_SCALAR_THREAD_SAFE
|
|
#endif
|
|
|
|
!=----------------------------------------------------------------------=!
|
|
MODULE fft_scalar_fftw3
|
|
!=----------------------------------------------------------------------=!
|
|
!! iso_c_binding provides C_PTR, C_NULL_PTR, C_ASSOCIATED
|
|
USE, intrinsic :: iso_c_binding
|
|
USE fft_param
|
|
IMPLICIT NONE
|
|
SAVE
|
|
PRIVATE
|
|
PUBLIC :: cft_1z, cft_2xy, cfft3d, cfft3ds
|
|
|
|
! ... Local Parameter
|
|
|
|
#if defined(_OPENMP)
|
|
#include "fftw3.f03"
|
|
#else
|
|
#include "fftw3.f"
|
|
#endif
|
|
|
|
!=----------------------------------------------------------------------=!
|
|
CONTAINS
|
|
!=----------------------------------------------------------------------=!
|
|
|
|
!
|
|
!=----------------------------------------------------------------------=!
|
|
!
|
|
!
|
|
!
|
|
! FFT along "z"
|
|
!
|
|
!
|
|
!
|
|
!=----------------------------------------------------------------------=!
|
|
!
|
|
|
|
SUBROUTINE cft_1z(c, nsl, nz, ldz, isign, cout)
|
|
|
|
! driver routine for nsl 1d complex fft's of length nz
|
|
! ldz >= nz is the distance between sequences to be transformed
|
|
! (ldz>nz is used on some architectures to reduce memory conflicts)
|
|
! input : c(ldz*nsl) (complex)
|
|
! output : cout(ldz*nsl) (complex - NOTA BENE: transform is not in-place!)
|
|
! isign > 0 : forward (f(G)=>f(R)), isign <0 backward (f(R) => f(G))
|
|
! Up to "ndims" initializations (for different combinations of input
|
|
! parameters nz, nsl, ldz) are stored and re-used if available
|
|
|
|
INTEGER, INTENT(IN) :: isign
|
|
INTEGER, INTENT(IN) :: nsl, nz, ldz
|
|
|
|
COMPLEX (DP) :: c(:), cout(:)
|
|
|
|
REAL (DP) :: tscale
|
|
INTEGER :: i, err, idir, ip
|
|
INTEGER, SAVE :: zdims( 3, ndims ) = -1
|
|
INTEGER, SAVE :: icurrent = 1
|
|
LOGICAL :: done
|
|
|
|
! Pointers to the "C" structures containing FFT factors ( PLAN )
|
|
|
|
TYPE(C_PTR), SAVE :: fw_planz( ndims ) = C_NULL_PTR
|
|
TYPE(C_PTR), SAVE :: bw_planz( ndims ) = C_NULL_PTR
|
|
|
|
IF( nsl < 0 ) THEN
|
|
CALL fftx_error__(" fft_scalar: cft_1z ", " nsl out of range ", nsl)
|
|
END IF
|
|
|
|
!
|
|
! Here initialize table only if necessary
|
|
!
|
|
|
|
CALL lookup()
|
|
|
|
IF( .NOT. done ) THEN
|
|
|
|
! no table exist for these parameters
|
|
! initialize a new one
|
|
|
|
CALL init_plan()
|
|
|
|
END IF
|
|
|
|
!
|
|
! Now perform the FFTs using machine specific drivers
|
|
!
|
|
|
|
#if defined(__FFT_CLOCKS)
|
|
CALL start_clock( 'cft_1z' )
|
|
#endif
|
|
|
|
IF (isign < 0) THEN
|
|
CALL dfftw_execute_dft( fw_planz( ip), c, cout)
|
|
tscale = 1.0_DP / nz
|
|
cout( 1 : ldz * nsl ) = cout( 1 : ldz * nsl ) * tscale
|
|
ELSE IF (isign > 0) THEN
|
|
CALL dfftw_execute_dft( bw_planz( ip), c, cout)
|
|
END IF
|
|
|
|
#if defined(__FFT_CLOCKS)
|
|
CALL stop_clock( 'cft_1z' )
|
|
#endif
|
|
|
|
RETURN
|
|
|
|
CONTAINS
|
|
|
|
SUBROUTINE lookup()
|
|
! lookup for stored plan
|
|
DO ip = 1, ndims
|
|
! first check if there is already a table initialized
|
|
! for this combination of parameters
|
|
! The initialization in ESSL and FFTW v.3 depends on all three parameters
|
|
done = ( nz == zdims(1,ip) )
|
|
done = done .AND. ( nsl == zdims(2,ip) ) .AND. ( ldz == zdims(3,ip) )
|
|
IF (done) EXIT
|
|
END DO
|
|
END SUBROUTINE lookup
|
|
|
|
SUBROUTINE init_plan()
|
|
#if defined(_OPENMP)
|
|
INTEGER :: void
|
|
INTEGER, EXTERNAL :: omp_get_max_threads
|
|
!
|
|
CALL dfftw_cleanup_threads()
|
|
void = fftw_init_threads()
|
|
CALL dfftw_plan_with_nthreads(omp_get_max_threads())
|
|
#endif
|
|
|
|
IF( C_ASSOCIATED(fw_planz( icurrent)) ) CALL dfftw_destroy_plan( fw_planz( icurrent) )
|
|
IF( C_ASSOCIATED(bw_planz( icurrent)) ) CALL dfftw_destroy_plan( bw_planz( icurrent) )
|
|
idir = -1
|
|
CALL dfftw_plan_many_dft( fw_planz( icurrent), 1, nz, nsl, c, &
|
|
(/SIZE(c)/), 1, ldz, cout, (/SIZE(cout)/), 1, ldz, idir, FFTW_ESTIMATE)
|
|
idir = 1
|
|
CALL dfftw_plan_many_dft( bw_planz( icurrent), 1, nz, nsl, c, &
|
|
(/SIZE(c)/), 1, ldz, cout, (/SIZE(cout)/), 1, ldz, idir, FFTW_ESTIMATE)
|
|
|
|
zdims(1,icurrent) = nz; zdims(2,icurrent) = nsl; zdims(3,icurrent) = ldz;
|
|
ip = icurrent
|
|
icurrent = MOD( icurrent, ndims ) + 1
|
|
END SUBROUTINE init_plan
|
|
|
|
END SUBROUTINE cft_1z
|
|
|
|
!
|
|
!=----------------------------------------------------------------------=!
|
|
!
|
|
!
|
|
!
|
|
! FFT along "x" and "y" direction
|
|
!
|
|
!
|
|
!
|
|
!=----------------------------------------------------------------------=!
|
|
!
|
|
SUBROUTINE cft_2xy(r, nzl, nx, ny, ldx, ldy, isign, pl2ix)
|
|
|
|
! driver routine for nzl 2d complex fft's of lengths nx and ny
|
|
! input : r(ldx*ldy) complex, transform is in-place
|
|
! ldx >= nx, ldy >= ny are the physical dimensions of the equivalent
|
|
! 2d array: r2d(ldx, ldy) (x first dimension, y second dimension)
|
|
! (ldx>nx, ldy>ny used on some architectures to reduce memory conflicts)
|
|
! pl2ix(nx) (optional) is 1 for columns along y to be transformed
|
|
! isign > 0 : forward (f(G)=>f(R)), isign <0 backward (f(R) => f(G))
|
|
! Up to "ndims" initializations (for different combinations of input
|
|
! parameters nx,ny,nzl,ldx) are stored and re-used if available
|
|
|
|
IMPLICIT NONE
|
|
|
|
INTEGER, INTENT(IN) :: isign, ldx, ldy, nx, ny, nzl
|
|
INTEGER, OPTIONAL, INTENT(IN) :: pl2ix(:)
|
|
COMPLEX (DP) :: r( : )
|
|
INTEGER :: i, k, j, err, idir, ip, kk
|
|
REAL(DP) :: tscale
|
|
INTEGER, SAVE :: icurrent = 1
|
|
INTEGER, SAVE :: dims( 4, ndims) = -1
|
|
LOGICAL :: dofft( nfftx ), done
|
|
|
|
TYPE(C_PTR), SAVE :: fw_plan( 2, ndims ) = C_NULL_PTR
|
|
TYPE(C_PTR), SAVE :: bw_plan( 2, ndims ) = C_NULL_PTR
|
|
|
|
dofft( 1 : nx ) = .TRUE.
|
|
IF( PRESENT( pl2ix ) ) THEN
|
|
IF( SIZE( pl2ix ) < nx ) &
|
|
CALL fftx_error__( ' cft_2xy ', ' wrong dimension for arg no. 8 ', 1 )
|
|
DO i = 1, nx
|
|
IF( pl2ix(i) < 1 ) dofft( i ) = .FALSE.
|
|
END DO
|
|
END IF
|
|
|
|
!
|
|
! Here initialize table only if necessary
|
|
!
|
|
|
|
CALL lookup()
|
|
|
|
IF( .NOT. done ) THEN
|
|
|
|
! no table exist for these parameters
|
|
! initialize a new one
|
|
|
|
CALL init_plan()
|
|
|
|
END IF
|
|
|
|
!
|
|
! Now perform the FFTs using machine specific drivers
|
|
!
|
|
|
|
#if defined(__FFT_CLOCKS)
|
|
CALL start_clock( 'cft_2xy' )
|
|
#endif
|
|
|
|
IF ( ldx /= nx .OR. ldy /= ny ) THEN
|
|
IF( isign < 0 ) THEN
|
|
do j = 0, nzl-1
|
|
CALL dfftw_execute_dft( fw_plan (1, ip), &
|
|
r(1+j*ldx*ldy:), r(1+j*ldx*ldy:))
|
|
end do
|
|
do i = 1, nx
|
|
do k = 1, nzl
|
|
IF( dofft( i ) ) THEN
|
|
j = i + ldx*ldy * ( k - 1 )
|
|
call dfftw_execute_dft( fw_plan ( 2, ip), r(j:), r(j:))
|
|
END IF
|
|
end do
|
|
end do
|
|
tscale = 1.0_DP / ( nx * ny )
|
|
r(1:ldx * ldy * nzl) = r(1:ldx * ldy * nzl) * tscale
|
|
ELSE IF( isign > 0 ) THEN
|
|
do i = 1, nx
|
|
do k = 1, nzl
|
|
IF( dofft( i ) ) THEN
|
|
j = i + ldx*ldy * ( k - 1 )
|
|
call dfftw_execute_dft( bw_plan ( 2, ip), r(j:), r(j:))
|
|
END IF
|
|
end do
|
|
end do
|
|
do j = 0, nzl-1
|
|
CALL dfftw_execute_dft( bw_plan( 1, ip), &
|
|
r(1+j*ldx*ldy:), r(1+j*ldx*ldy:))
|
|
end do
|
|
END IF
|
|
ELSE
|
|
IF( isign < 0 ) THEN
|
|
call dfftw_execute_dft( fw_plan( 1, ip), r(1:), r(1:))
|
|
tscale = 1.0_DP / ( nx * ny )
|
|
r(1:ldx * ldy * nzl) = r(1:ldx * ldy * nzl) * tscale
|
|
ELSE IF( isign > 0 ) THEN
|
|
call dfftw_execute_dft( bw_plan( 1, ip), r(1:), r(1:))
|
|
END IF
|
|
END IF
|
|
|
|
#if defined(__FFT_CLOCKS)
|
|
CALL stop_clock( 'cft_2xy' )
|
|
#endif
|
|
|
|
RETURN
|
|
|
|
CONTAINS
|
|
|
|
SUBROUTINE lookup()
|
|
DO ip = 1, ndims
|
|
! first check if there is already a table initialized
|
|
! for this combination of parameters
|
|
done = ( ny == dims(1,ip) ) .AND. ( nx == dims(3,ip) )
|
|
done = done .AND. ( ldx == dims(2,ip) ) .AND. ( nzl == dims(4,ip) )
|
|
IF (done) EXIT
|
|
END DO
|
|
END SUBROUTINE lookup
|
|
|
|
SUBROUTINE init_plan()
|
|
#if defined(_OPENMP)
|
|
INTEGER :: void
|
|
INTEGER, EXTERNAL :: omp_get_max_threads
|
|
!
|
|
CALL dfftw_cleanup_threads()
|
|
void = fftw_init_threads()
|
|
CALL dfftw_plan_with_nthreads(omp_get_max_threads())
|
|
#endif
|
|
|
|
IF ( ldx /= nx .OR. ldy /= ny ) THEN
|
|
IF( C_ASSOCIATED(fw_plan(2,icurrent)) ) CALL dfftw_destroy_plan( fw_plan(2,icurrent) )
|
|
IF( C_ASSOCIATED(bw_plan(2,icurrent)) ) CALL dfftw_destroy_plan( bw_plan(2,icurrent) )
|
|
idir = -1
|
|
CALL dfftw_plan_many_dft( fw_plan(2,icurrent), 1, ny, 1, r(1:), &
|
|
(/ldx*ldy/), ldx, 1, r(1:), (/ldx*ldy/), ldx, 1, idir, &
|
|
FFTW_ESTIMATE)
|
|
idir = 1
|
|
CALL dfftw_plan_many_dft( bw_plan(2,icurrent), 1, ny, 1, r(1:), &
|
|
(/ldx*ldy/), ldx, 1, r(1:), (/ldx*ldy/), ldx, 1, idir, &
|
|
FFTW_ESTIMATE)
|
|
|
|
IF( C_ASSOCIATED(fw_plan(1,icurrent)) ) CALL dfftw_destroy_plan( fw_plan(1,icurrent) )
|
|
IF( C_ASSOCIATED(bw_plan(1,icurrent)) ) CALL dfftw_destroy_plan( bw_plan(1,icurrent) )
|
|
idir = -1
|
|
CALL dfftw_plan_many_dft( fw_plan(1,icurrent), 1, nx, ny, r(1:), &
|
|
(/ldx*ldy/), 1, ldx, r(1:), (/ldx*ldy/), 1, ldx, idir, &
|
|
FFTW_ESTIMATE)
|
|
idir = 1
|
|
CALL dfftw_plan_many_dft( bw_plan(1,icurrent), 1, nx, ny, r(1:), &
|
|
(/ldx*ldy/), 1, ldx, r(1:), (/ldx*ldy/), 1, ldx, idir, &
|
|
FFTW_ESTIMATE)
|
|
ELSE
|
|
IF( C_ASSOCIATED(fw_plan( 1, icurrent)) ) CALL dfftw_destroy_plan( fw_plan( 1, icurrent) )
|
|
IF( C_ASSOCIATED(bw_plan( 1, icurrent)) ) CALL dfftw_destroy_plan( bw_plan( 1, icurrent) )
|
|
idir = -1
|
|
CALL dfftw_plan_many_dft( fw_plan( 1, icurrent), 2, (/nx, ny/), nzl,&
|
|
r(1:), (/nx, ny/), 1, nx*ny, r(1:), (/nx, ny/), 1, nx*ny, idir,&
|
|
FFTW_ESTIMATE)
|
|
idir = 1
|
|
CALL dfftw_plan_many_dft( bw_plan( 1, icurrent), 2, (/nx, ny/), nzl,&
|
|
r(1:), (/nx, ny/), 1, nx*ny, r(1:), (/nx, ny/), 1, nx*ny, idir,&
|
|
FFTW_ESTIMATE)
|
|
END IF
|
|
|
|
dims(1,icurrent) = ny; dims(2,icurrent) = ldx;
|
|
dims(3,icurrent) = nx; dims(4,icurrent) = nzl;
|
|
ip = icurrent
|
|
icurrent = MOD( icurrent, ndims ) + 1
|
|
END SUBROUTINE init_plan
|
|
|
|
END SUBROUTINE cft_2xy
|
|
|
|
!
|
|
!=----------------------------------------------------------------------=!
|
|
!
|
|
!
|
|
!
|
|
! 3D scalar FFTs
|
|
!
|
|
!
|
|
!
|
|
!=----------------------------------------------------------------------=!
|
|
!
|
|
|
|
SUBROUTINE cfft3d( f, nx, ny, nz, ldx, ldy, ldz, howmany, isign )
|
|
|
|
! driver routine for 3d complex fft of lengths nx, ny, nz
|
|
! input : f(ldx*ldy*ldz) complex, transform is in-place
|
|
! ldx >= nx, ldy >= ny, ldz >= nz are the physical dimensions
|
|
! of the equivalent 3d array: f3d(ldx,ldy,ldz)
|
|
! (ldx>nx, ldy>ny, ldz>nz may be used on some architectures
|
|
! to reduce memory conflicts - not implemented for FFTW)
|
|
! isign > 0 : f(G) => f(R) ; isign < 0 : f(R) => f(G)
|
|
!
|
|
! Up to "ndims" initializations (for different combinations of input
|
|
! parameters nx,ny,nz) are stored and re-used if available
|
|
|
|
IMPLICIT NONE
|
|
|
|
INTEGER, INTENT(IN) :: nx, ny, nz, ldx, ldy, ldz, howmany, isign
|
|
COMPLEX (DP) :: f(:)
|
|
INTEGER :: i, k, j, err, idir, ip, void
|
|
REAL(DP) :: tscale
|
|
INTEGER, SAVE :: icurrent = 1
|
|
INTEGER, SAVE :: dims(3,ndims) = -1
|
|
|
|
TYPE(C_PTR), save :: fw_plan(ndims) = C_NULL_PTR
|
|
TYPE(C_PTR), save :: bw_plan(ndims) = C_NULL_PTR
|
|
|
|
IF ( nx < 1 ) &
|
|
call fftx_error__('cfft3d',' nx is less than 1 ', 1)
|
|
IF ( ny < 1 ) &
|
|
call fftx_error__('cfft3d',' ny is less than 1 ', 1)
|
|
IF ( nz < 1 ) &
|
|
call fftx_error__('cfft3d',' nz is less than 1 ', 1)
|
|
IF( howmany /= 1 ) &
|
|
CALL fftx_error__('cfft3d', ' howmany different from 1, not yet implemented for FFTW3 ', 1 )
|
|
|
|
!
|
|
! Here initialize table only if necessary
|
|
!
|
|
CALL lookup()
|
|
|
|
IF( ip == -1 ) THEN
|
|
|
|
! no table exist for these parameters
|
|
! initialize a new one
|
|
|
|
CALL init_plan()
|
|
|
|
END IF
|
|
|
|
!
|
|
! Now perform the 3D FFT using the machine specific driver
|
|
!
|
|
|
|
IF( isign < 0 ) THEN
|
|
call dfftw_execute_dft( fw_plan(ip), f(1:), f(1:))
|
|
tscale = 1.0_DP / DBLE( nx * ny * nz )
|
|
f(1:nx * ny * nz) = f(1:nx * ny * nz) * tscale
|
|
|
|
ELSE IF( isign > 0 ) THEN
|
|
|
|
call dfftw_execute_dft( bw_plan(ip), f(1:), f(1:))
|
|
|
|
END IF
|
|
|
|
RETURN
|
|
|
|
CONTAINS
|
|
|
|
SUBROUTINE lookup()
|
|
ip = -1
|
|
DO i = 1, ndims
|
|
! first check if there is already a table initialized
|
|
! for this combination of parameters
|
|
IF ( ( nx == dims(1,i) ) .and. &
|
|
( ny == dims(2,i) ) .and. &
|
|
( nz == dims(3,i) ) ) THEN
|
|
ip = i
|
|
EXIT
|
|
END IF
|
|
END DO
|
|
END SUBROUTINE lookup
|
|
|
|
SUBROUTINE init_plan()
|
|
#if defined(_OPENMP)
|
|
INTEGER :: void
|
|
INTEGER, EXTERNAL :: omp_get_max_threads
|
|
!
|
|
CALL dfftw_cleanup_threads()
|
|
void = fftw_init_threads()
|
|
CALL dfftw_plan_with_nthreads(omp_get_max_threads())
|
|
#endif
|
|
IF ( nx /= ldx .or. ny /= ldy .or. nz /= ldz ) &
|
|
call fftx_error__('cfft3','not implemented',3)
|
|
IF( C_ASSOCIATED(fw_plan(icurrent)) ) CALL dfftw_destroy_plan( fw_plan(icurrent) )
|
|
IF( C_ASSOCIATED(bw_plan(icurrent)) ) CALL dfftw_destroy_plan( bw_plan(icurrent) )
|
|
idir = -1
|
|
CALL dfftw_plan_dft_3d ( fw_plan(icurrent), nx, ny, nz, f(1:), &
|
|
f(1:), idir, FFTW_ESTIMATE)
|
|
idir = 1
|
|
CALL dfftw_plan_dft_3d ( bw_plan(icurrent), nx, ny, nz, f(1:), &
|
|
f(1:), idir, FFTW_ESTIMATE)
|
|
|
|
dims(1,icurrent) = nx; dims(2,icurrent) = ny; dims(3,icurrent) = nz
|
|
ip = icurrent
|
|
icurrent = MOD( icurrent, ndims ) + 1
|
|
END SUBROUTINE init_plan
|
|
|
|
END SUBROUTINE cfft3d
|
|
|
|
!
|
|
!=----------------------------------------------------------------------=!
|
|
!
|
|
!
|
|
!
|
|
! 3D scalar FFTs, but using sticks!
|
|
!
|
|
!
|
|
!
|
|
!=----------------------------------------------------------------------=!
|
|
!
|
|
|
|
SUBROUTINE cfft3ds (f, nx, ny, nz, ldx, ldy, ldz, howmany, isign, &
|
|
do_fft_z, do_fft_y)
|
|
!
|
|
! driver routine for 3d complex "reduced" fft - see cfft3d
|
|
! The 3D fft are computed only on lines and planes which have
|
|
! non zero elements. These lines and planes are defined by
|
|
! the two integer vectors do_fft_y(nx) and do_fft_z(ldx*ldy)
|
|
! (1 = perform fft, 0 = do not perform fft)
|
|
! This routine is implemented only for fftw, essl, acml
|
|
! If not implemented, cfft3d is called instead
|
|
!
|
|
!----------------------------------------------------------------------
|
|
!
|
|
implicit none
|
|
|
|
integer :: nx, ny, nz, ldx, ldy, ldz, howmany, isign
|
|
!
|
|
! logical dimensions of the fft
|
|
! physical dimensions of the f array
|
|
! sign of the transformation
|
|
|
|
complex(DP) :: f ( ldx * ldy * ldz )
|
|
integer :: do_fft_y(:), do_fft_z(:)
|
|
!
|
|
integer :: m, incx1, incx2
|
|
INTEGER :: i, k, j, err, idir, ip, ii, jj
|
|
REAL(DP) :: tscale
|
|
INTEGER, SAVE :: icurrent = 1
|
|
INTEGER, SAVE :: dims(3,ndims) = -1
|
|
|
|
TYPE(C_PTR), SAVE :: fw_plan ( 3, ndims ) = C_NULL_PTR
|
|
TYPE(C_PTR), SAVE :: bw_plan ( 3, ndims ) = C_NULL_PTR
|
|
|
|
tscale = 1.0_DP
|
|
|
|
IF( ny /= ldy ) &
|
|
CALL fftx_error__(' cfft3ds ', ' wrong dimensions: ny /= ldy ', 1 )
|
|
IF( howmany /= 1 ) &
|
|
CALL fftx_error__(' cfft3ds ', ' howmany different from 1, not yet implemented for FFTW3 ', 1 )
|
|
|
|
CALL lookup()
|
|
|
|
IF( ip == -1 ) THEN
|
|
|
|
! no table exist for these parameters
|
|
! initialize a new one
|
|
|
|
CALL init_plan()
|
|
|
|
END IF
|
|
|
|
IF ( isign > 0 ) THEN
|
|
|
|
!
|
|
! k-direction ...
|
|
!
|
|
|
|
incx1 = ldx * ldy; incx2 = 1; m = 1
|
|
|
|
do i =1, nx
|
|
do j =1, ny
|
|
ii = i + ldx * (j-1)
|
|
if ( do_fft_z(ii) > 0) then
|
|
call dfftw_execute_dft( bw_plan( 3, ip), f( ii:), f( ii:) )
|
|
end if
|
|
end do
|
|
end do
|
|
|
|
!
|
|
! ... j-direction ...
|
|
!
|
|
|
|
incx1 = ldx; incx2 = ldx*ldy; m = nz
|
|
|
|
do i = 1, nx
|
|
if ( do_fft_y( i ) == 1 ) then
|
|
call dfftw_execute_dft( bw_plan( 2, ip), f( i: ), f( i: ) )
|
|
endif
|
|
enddo
|
|
|
|
!
|
|
! ... i - direction
|
|
!
|
|
|
|
incx1 = 1; incx2 = ldx; m = ldy*nz
|
|
|
|
call dfftw_execute_dft( bw_plan( 1, ip), f( 1: ), f( 1: ) )
|
|
|
|
ELSE
|
|
|
|
!
|
|
! i - direction ...
|
|
!
|
|
|
|
incx1 = 1; incx2 = ldx; m = ldy*nz
|
|
|
|
call dfftw_execute_dft( fw_plan( 1, ip), f( 1: ), f( 1: ) )
|
|
|
|
!
|
|
! ... j-direction ...
|
|
!
|
|
|
|
incx1 = ldx; incx2 = ldx*ldy; m = nz
|
|
|
|
do i = 1, nx
|
|
if ( do_fft_y ( i ) == 1 ) then
|
|
call dfftw_execute_dft( fw_plan( 2, ip), f( i: ), f( i: ) )
|
|
endif
|
|
enddo
|
|
|
|
!
|
|
! ... k-direction
|
|
!
|
|
|
|
incx1 = ldx * ny; incx2 = 1; m = 1
|
|
|
|
do i = 1, nx
|
|
do j = 1, ny
|
|
ii = i + ldx * (j-1)
|
|
if ( do_fft_z ( ii) > 0) then
|
|
call dfftw_execute_dft( fw_plan( 3, ip), f(ii:), f(ii:) )
|
|
end if
|
|
end do
|
|
end do
|
|
|
|
f(1:ldx * ldy * nz) = f(1:ldx * ldy * nz) * (1.0_DP/(nx * ny * nz))
|
|
|
|
END IF
|
|
RETURN
|
|
|
|
CONTAINS
|
|
|
|
SUBROUTINE lookup()
|
|
ip = -1
|
|
DO i = 1, ndims
|
|
! first check if there is already a table initialized
|
|
! for this combination of parameters
|
|
IF( ( nx == dims(1,i) ) .and. ( ny == dims(2,i) ) .and. &
|
|
( nz == dims(3,i) ) ) THEN
|
|
ip = i
|
|
EXIT
|
|
END IF
|
|
END DO
|
|
END SUBROUTINE lookup
|
|
|
|
SUBROUTINE init_plan()
|
|
#if defined(_OPENMP)
|
|
INTEGER :: void
|
|
INTEGER, EXTERNAL :: omp_get_max_threads
|
|
!
|
|
CALL dfftw_cleanup_threads()
|
|
void = fftw_init_threads()
|
|
CALL dfftw_plan_with_nthreads(omp_get_max_threads())
|
|
#endif
|
|
IF( C_ASSOCIATED(fw_plan( 1, icurrent)) ) &
|
|
CALL dfftw_destroy_plan( fw_plan( 1, icurrent) )
|
|
IF( C_ASSOCIATED(bw_plan( 1, icurrent)) ) &
|
|
CALL dfftw_destroy_plan( bw_plan( 1, icurrent) )
|
|
IF( C_ASSOCIATED(fw_plan( 2, icurrent)) ) &
|
|
CALL dfftw_destroy_plan( fw_plan( 2, icurrent) )
|
|
IF( C_ASSOCIATED(bw_plan( 2, icurrent)) ) &
|
|
CALL dfftw_destroy_plan( bw_plan( 2, icurrent) )
|
|
IF( C_ASSOCIATED(fw_plan( 3, icurrent)) ) &
|
|
CALL dfftw_destroy_plan( fw_plan( 3, icurrent) )
|
|
IF( C_ASSOCIATED(bw_plan( 3, icurrent)) ) &
|
|
CALL dfftw_destroy_plan( bw_plan( 3, icurrent) )
|
|
idir = -1
|
|
CALL dfftw_plan_many_dft( fw_plan( 1, icurrent), &
|
|
1, nx, ny*nz, f(1:), (/ldx, ldy, ldz/), 1, ldx, &
|
|
f(1:), (/ldx, ldy, ldz/), 1, ldx, idir, FFTW_ESTIMATE)
|
|
idir = 1
|
|
CALL dfftw_plan_many_dft( bw_plan( 1, icurrent), &
|
|
1, nx, ny*nz, f(1:), (/ldx, ldy, ldz/), 1, ldx, &
|
|
f(1:), (/ldx, ldy, ldz/), 1, ldx, idir, FFTW_ESTIMATE)
|
|
idir = -1
|
|
CALL dfftw_plan_many_dft( fw_plan( 2, icurrent), &
|
|
1, ny, nz, f(1:), (/ldx, ldy, ldz/), ldx, ldx*ldy, &
|
|
f(1:), (/ldx, ldy, ldz/), ldx, ldx*ldy, idir, FFTW_ESTIMATE)
|
|
idir = 1
|
|
CALL dfftw_plan_many_dft( bw_plan( 2, icurrent), &
|
|
1, ny, nz, f(1:), (/ldx, ldy, ldz/), ldx, ldx*ldy, &
|
|
f(1:), (/ldx, ldy, ldz/), ldx, ldx*ldy, idir, FFTW_ESTIMATE)
|
|
idir = -1
|
|
CALL dfftw_plan_many_dft( fw_plan( 3, icurrent), &
|
|
1, nz, 1, f(1:), (/ldx, ldy, ldz/), ldx*ldy, 1, &
|
|
f(1:), (/ldx, ldy, ldz/), ldx*ldy, 1, idir, FFTW_ESTIMATE)
|
|
idir = 1
|
|
CALL dfftw_plan_many_dft( bw_plan( 3, icurrent), &
|
|
1, nz, 1, f(1:), (/ldx, ldy, ldz/), ldx*ldy, 1, &
|
|
f(1:), (/ldx, ldy, ldz/), ldx*ldy, 1, idir, FFTW_ESTIMATE)
|
|
|
|
dims(1,icurrent) = nx; dims(2,icurrent) = ny; dims(3,icurrent) = nz
|
|
ip = icurrent
|
|
icurrent = MOD( icurrent, ndims ) + 1
|
|
END SUBROUTINE init_plan
|
|
|
|
END SUBROUTINE cfft3ds
|
|
!=----------------------------------------------------------------------=!
|
|
END MODULE fft_scalar_fftw3
|
|
!=----------------------------------------------------------------------=!
|
|
#endif
|