2015-11-21 18:37:48 +08:00
|
|
|
!
|
|
|
|
! 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 !
|
|
|
|
!--------------------------------------------------------------------------!
|
|
|
|
|
|
|
|
#if defined(__DFTI)
|
|
|
|
|
|
|
|
#include "mkl_dfti.f90"
|
|
|
|
|
|
|
|
!=----------------------------------------------------------------------=!
|
|
|
|
MODULE fft_scalar
|
|
|
|
!=----------------------------------------------------------------------=!
|
|
|
|
|
|
|
|
USE, intrinsic :: iso_c_binding
|
|
|
|
USE MKL_DFTI ! -- this can be found in the MKL include directory
|
|
|
|
|
|
|
|
IMPLICIT NONE
|
|
|
|
SAVE
|
|
|
|
|
|
|
|
PRIVATE
|
|
|
|
PUBLIC :: cft_1z, cft_2xy, cfft3d, cfft3ds
|
|
|
|
|
|
|
|
! ... Local Parameter
|
|
|
|
|
|
|
|
#include "fft_param.f90"
|
|
|
|
|
|
|
|
TYPE dfti_descriptor_array
|
|
|
|
TYPE(DFTI_DESCRIPTOR), POINTER :: desc
|
|
|
|
END TYPE
|
|
|
|
|
|
|
|
!=----------------------------------------------------------------------=!
|
|
|
|
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, void
|
|
|
|
INTEGER, SAVE :: zdims( 3, ndims ) = -1
|
|
|
|
INTEGER, SAVE :: icurrent = 1
|
|
|
|
LOGICAL :: found
|
|
|
|
|
|
|
|
INTEGER :: tid
|
|
|
|
|
|
|
|
#if defined(__OPENMP)
|
|
|
|
INTEGER :: offset, ldz_t
|
|
|
|
INTEGER :: omp_get_max_threads
|
|
|
|
EXTERNAL :: omp_get_max_threads
|
|
|
|
#endif
|
|
|
|
|
|
|
|
! Intel MKL native FFT driver
|
|
|
|
|
|
|
|
TYPE(DFTI_DESCRIPTOR_ARRAY), SAVE :: hand( ndims )
|
|
|
|
LOGICAL, SAVE :: dfti_first = .TRUE.
|
|
|
|
INTEGER :: dfti_status = 0
|
|
|
|
!
|
|
|
|
CALL check_dims()
|
|
|
|
!
|
|
|
|
! Here initialize table only if necessary
|
|
|
|
!
|
|
|
|
CALL lookup()
|
|
|
|
|
|
|
|
IF( .NOT. found ) THEN
|
|
|
|
|
|
|
|
! no table exist for these parameters
|
|
|
|
! initialize a new one
|
|
|
|
|
|
|
|
CALL init_dfti()
|
|
|
|
|
|
|
|
END IF
|
|
|
|
|
|
|
|
!
|
|
|
|
! Now perform the FFTs using machine specific drivers
|
|
|
|
!
|
|
|
|
|
|
|
|
#if defined(__FFT_CLOCKS)
|
|
|
|
CALL start_clock( 'cft_1z' )
|
|
|
|
#endif
|
|
|
|
|
|
|
|
IF (isign < 0) THEN
|
|
|
|
dfti_status = DftiComputeForward(hand(ip)%desc, c, cout )
|
|
|
|
IF(dfti_status /= 0) &
|
|
|
|
CALL fftx_error__(' cft_1z ',' stopped in DftiComputeForward ', dfti_status )
|
|
|
|
ELSE IF (isign > 0) THEN
|
|
|
|
dfti_status = DftiComputeBackward(hand(ip)%desc, c, cout )
|
|
|
|
IF(dfti_status /= 0) &
|
|
|
|
CALL fftx_error__(' cft_1z ',' stopped in DftiComputeBackward ', dfti_status )
|
|
|
|
END IF
|
|
|
|
|
|
|
|
#if defined(__FFT_CLOCKS)
|
|
|
|
CALL stop_clock( 'cft_1z' )
|
|
|
|
#endif
|
|
|
|
|
|
|
|
RETURN
|
|
|
|
|
|
|
|
CONTAINS !=------------------------------------------------=!
|
|
|
|
|
|
|
|
SUBROUTINE check_dims()
|
|
|
|
IF( nsl < 0 ) THEN
|
|
|
|
CALL fftx_error__(" fft_scalar: cft_1z ", " nsl out of range ", nsl)
|
|
|
|
END IF
|
|
|
|
END SUBROUTINE check_dims
|
|
|
|
|
|
|
|
SUBROUTINE lookup()
|
2016-01-30 15:03:00 +08:00
|
|
|
IF( dfti_first ) THEN
|
2015-11-21 18:37:48 +08:00
|
|
|
DO ip = 1, ndims
|
|
|
|
hand(ip)%desc => NULL()
|
|
|
|
END DO
|
|
|
|
dfti_first = .FALSE.
|
|
|
|
END IF
|
|
|
|
DO ip = 1, ndims
|
|
|
|
! first check if there is already a table initialized
|
|
|
|
! for this combination of parameters
|
|
|
|
found = ( nz == zdims(1,ip) )
|
|
|
|
! The initialization in ESSL and FFTW v.3 depends on all three parameters
|
|
|
|
found = found .AND. ( nsl == zdims(2,ip) ) .AND. ( ldz == zdims(3,ip) )
|
|
|
|
IF (found) EXIT
|
|
|
|
END DO
|
|
|
|
END SUBROUTINE lookup
|
|
|
|
|
|
|
|
SUBROUTINE init_dfti()
|
|
|
|
|
|
|
|
if( ASSOCIATED( hand( icurrent )%desc ) ) THEN
|
|
|
|
dfti_status = DftiFreeDescriptor( hand( icurrent )%desc )
|
|
|
|
IF( dfti_status /= 0) THEN
|
|
|
|
WRITE(*,*) "stopped in DftiFreeDescriptor", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
END IF
|
|
|
|
|
|
|
|
dfti_status = DftiCreateDescriptor(hand( icurrent )%desc, DFTI_DOUBLE, DFTI_COMPLEX, 1,nz)
|
|
|
|
IF(dfti_status /= 0) &
|
|
|
|
CALL fftx_error__(' cft_1z ',' stopped in DftiCreateDescriptor ', dfti_status )
|
|
|
|
|
|
|
|
dfti_status = DftiSetValue(hand( icurrent )%desc, DFTI_NUMBER_OF_TRANSFORMS,nsl)
|
|
|
|
IF(dfti_status /= 0) &
|
|
|
|
CALL fftx_error__(' cft_1z ',' stopped in DFTI_NUMBER_OF_TRANSFORMS ', dfti_status )
|
|
|
|
|
|
|
|
dfti_status = DftiSetValue(hand( icurrent )%desc,DFTI_INPUT_DISTANCE, ldz )
|
|
|
|
IF(dfti_status /= 0) &
|
|
|
|
CALL fftx_error__(' cft_1z ',' stopped in DFTI_INPUT_DISTANCE ', dfti_status )
|
|
|
|
|
|
|
|
dfti_status = DftiSetValue(hand( icurrent )%desc, DFTI_PLACEMENT, DFTI_NOT_INPLACE)
|
|
|
|
IF(dfti_status /= 0) &
|
|
|
|
CALL fftx_error__(' cft_1z ',' stopped in DFTI_PLACEMENT ', dfti_status )
|
|
|
|
|
|
|
|
dfti_status = DftiSetValue(hand( icurrent )%desc,DFTI_OUTPUT_DISTANCE, ldz )
|
|
|
|
IF(dfti_status /= 0) &
|
|
|
|
CALL fftx_error__(' cft_1z ',' stopped in DFTI_OUTPUT_DISTANCE ', dfti_status )
|
|
|
|
|
|
|
|
tscale = 1.0_DP/nz
|
|
|
|
dfti_status = DftiSetValue( hand( icurrent )%desc, DFTI_FORWARD_SCALE, tscale);
|
|
|
|
IF(dfti_status /= 0) &
|
|
|
|
CALL fftx_error__(' cft_1z ',' stopped in DFTI_FORWARD_SCALE ', dfti_status )
|
|
|
|
|
|
|
|
dfti_status = DftiSetValue( hand( icurrent )%desc, DFTI_BACKWARD_SCALE, DBLE(1) );
|
|
|
|
IF(dfti_status /= 0) &
|
|
|
|
CALL fftx_error__(' cft_1z ',' stopped in DFTI_BACKWARD_SCALE ', dfti_status )
|
|
|
|
|
|
|
|
dfti_status = DftiCommitDescriptor(hand( icurrent )%desc)
|
|
|
|
IF(dfti_status /= 0) &
|
|
|
|
CALL fftx_error__(' cft_1z ',' stopped in DftiCommitDescriptor ', dfti_status )
|
|
|
|
|
|
|
|
zdims(1,icurrent) = nz; zdims(2,icurrent) = nsl; zdims(3,icurrent) = ldz;
|
|
|
|
ip = icurrent
|
|
|
|
icurrent = MOD( icurrent, ndims ) + 1
|
|
|
|
|
|
|
|
END SUBROUTINE init_dfti
|
|
|
|
|
|
|
|
|
|
|
|
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, void
|
|
|
|
REAL(DP) :: tscale
|
|
|
|
INTEGER, SAVE :: icurrent = 1
|
|
|
|
INTEGER, SAVE :: dims( 4, ndims) = -1
|
|
|
|
LOGICAL :: dofft( nfftx ), found
|
|
|
|
INTEGER, PARAMETER :: stdout = 6
|
|
|
|
|
|
|
|
#if defined(__OPENMP)
|
|
|
|
INTEGER :: offset
|
|
|
|
INTEGER :: nx_t, ny_t, nzl_t, ldx_t, ldy_t
|
|
|
|
INTEGER :: itid, mytid, ntids
|
|
|
|
INTEGER :: omp_get_thread_num, omp_get_num_threads,omp_get_max_threads
|
|
|
|
EXTERNAL :: omp_get_thread_num, omp_get_num_threads, omp_get_max_threads
|
|
|
|
#endif
|
|
|
|
|
|
|
|
TYPE(DFTI_DESCRIPTOR_ARRAY), SAVE :: hand( ndims )
|
|
|
|
LOGICAL, SAVE :: dfti_first = .TRUE.
|
|
|
|
INTEGER :: dfti_status = 0
|
|
|
|
|
|
|
|
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. found ) THEN
|
|
|
|
|
|
|
|
! no table exist for these parameters
|
|
|
|
! initialize a new one
|
|
|
|
|
|
|
|
CALL init_dfti()
|
|
|
|
|
|
|
|
END IF
|
|
|
|
|
|
|
|
!
|
|
|
|
! Now perform the FFTs using machine specific drivers
|
|
|
|
!
|
|
|
|
|
|
|
|
#if defined(__FFT_CLOCKS)
|
|
|
|
CALL start_clock( 'cft_2xy' )
|
|
|
|
#endif
|
|
|
|
|
|
|
|
IF( isign < 0 ) THEN
|
|
|
|
!
|
|
|
|
dfti_status = DftiComputeForward(hand(ip)%desc, r(:))
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DftiComputeForward", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
!
|
|
|
|
ELSE IF( isign > 0 ) THEN
|
|
|
|
!
|
|
|
|
dfti_status = DftiComputeBackward(hand(ip)%desc, r(:))
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DftiComputeBackward", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
!
|
|
|
|
END IF
|
|
|
|
|
|
|
|
|
|
|
|
#if defined(__FFT_CLOCKS)
|
|
|
|
CALL stop_clock( 'cft_2xy' )
|
|
|
|
#endif
|
|
|
|
|
|
|
|
RETURN
|
|
|
|
|
|
|
|
CONTAINS !=------------------------------------------------=!
|
|
|
|
|
|
|
|
SUBROUTINE check_dims()
|
|
|
|
END SUBROUTINE check_dims
|
|
|
|
|
|
|
|
SUBROUTINE lookup()
|
2016-01-30 15:03:00 +08:00
|
|
|
IF( dfti_first ) THEN
|
2015-11-21 18:37:48 +08:00
|
|
|
DO ip = 1, ndims
|
|
|
|
hand(ip)%desc => NULL()
|
|
|
|
END DO
|
|
|
|
dfti_first = .FALSE.
|
|
|
|
END IF
|
|
|
|
DO ip = 1, ndims
|
|
|
|
! first check if there is already a table initialized
|
|
|
|
! for this combination of parameters
|
|
|
|
found = ( ny == dims(1,ip) ) .AND. ( nx == dims(3,ip) )
|
|
|
|
found = found .AND. ( ldx == dims(2,ip) ) .AND. ( nzl == dims(4,ip) )
|
|
|
|
IF (found) EXIT
|
|
|
|
END DO
|
|
|
|
END SUBROUTINE lookup
|
|
|
|
|
|
|
|
SUBROUTINE init_dfti()
|
|
|
|
|
|
|
|
if( ASSOCIATED( hand( icurrent )%desc ) ) THEN
|
|
|
|
dfti_status = DftiFreeDescriptor( hand( icurrent )%desc )
|
|
|
|
IF( dfti_status /= 0) THEN
|
|
|
|
WRITE(*,*) "stopped in DftiFreeDescriptor", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
END IF
|
|
|
|
|
|
|
|
dfti_status = DftiCreateDescriptor(hand( icurrent )%desc, DFTI_DOUBLE, DFTI_COMPLEX, 2,(/nx,ny/))
|
|
|
|
IF(dfti_status /= 0) THEN
|
|
|
|
WRITE(*,*) "stopped in DftiCreateDescriptor", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
dfti_status = DftiSetValue(hand( icurrent )%desc, DFTI_NUMBER_OF_TRANSFORMS,nzl)
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DFTI_NUMBER_OF_TRANSFORMS", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
dfti_status = DftiSetValue(hand( icurrent )%desc,DFTI_INPUT_DISTANCE, ldx*ldy )
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DFTI_INPUT_DISTANCE", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
dfti_status = DftiSetValue(hand( icurrent )%desc, DFTI_PLACEMENT, DFTI_INPLACE)
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DFTI_PLACEMENT", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
tscale = 1.0_DP/ (nx * ny )
|
|
|
|
dfti_status = DftiSetValue( hand( icurrent )%desc, DFTI_FORWARD_SCALE, tscale);
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DFTI_FORWARD_SCALE", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
dfti_status = DftiSetValue( hand( icurrent )%desc, DFTI_BACKWARD_SCALE, DBLE(1) );
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DFTI_BACKWARD_SCALE", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
dfti_status = DftiCommitDescriptor(hand( icurrent )%desc)
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DftiCommitDescriptor", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
|
|
|
|
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_dfti
|
|
|
|
|
|
|
|
END SUBROUTINE cft_2xy
|
|
|
|
|
|
|
|
|
|
|
|
!
|
|
|
|
!=----------------------------------------------------------------------=!
|
|
|
|
!
|
|
|
|
!
|
|
|
|
!
|
|
|
|
! 3D scalar FFTs
|
|
|
|
!
|
|
|
|
!
|
|
|
|
!
|
|
|
|
!=----------------------------------------------------------------------=!
|
|
|
|
!
|
|
|
|
|
|
|
|
SUBROUTINE cfft3d( f, nx, ny, nz, ldx, ldy, ldz, 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, isign
|
|
|
|
COMPLEX (DP) :: f(:)
|
|
|
|
INTEGER :: i, k, j, err, idir, ip
|
|
|
|
REAL(DP) :: tscale
|
|
|
|
INTEGER, SAVE :: icurrent = 1
|
|
|
|
INTEGER, SAVE :: dims(3,ndims) = -1
|
|
|
|
|
|
|
|
! Intel MKL native FFT driver
|
|
|
|
|
|
|
|
TYPE(DFTI_DESCRIPTOR_ARRAY), SAVE :: hand(ndims)
|
|
|
|
LOGICAL, SAVE :: dfti_first = .TRUE.
|
|
|
|
INTEGER :: dfti_status = 0
|
|
|
|
!
|
|
|
|
|
|
|
|
CALL check_dims()
|
|
|
|
|
|
|
|
!
|
|
|
|
! Here initialize table only if necessary
|
|
|
|
!
|
|
|
|
|
|
|
|
CALL lookup()
|
|
|
|
|
|
|
|
IF( ip == -1 ) THEN
|
|
|
|
|
|
|
|
! no table exist for these parameters
|
|
|
|
! initialize a new one
|
|
|
|
|
|
|
|
CALL init_dfti()
|
|
|
|
|
|
|
|
END IF
|
|
|
|
|
|
|
|
!
|
|
|
|
! Now perform the 3D FFT using the machine specific driver
|
|
|
|
!
|
|
|
|
|
|
|
|
IF( isign < 0 ) THEN
|
|
|
|
!
|
|
|
|
dfti_status = DftiComputeForward(hand(ip)%desc, f(1:))
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DftiComputeForward", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
!
|
|
|
|
ELSE IF( isign > 0 ) THEN
|
|
|
|
!
|
|
|
|
dfti_status = DftiComputeBackward(hand(ip)%desc, f(1:))
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DftiComputeBackward", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
!
|
|
|
|
END IF
|
|
|
|
|
|
|
|
RETURN
|
|
|
|
|
|
|
|
CONTAINS !=------------------------------------------------=!
|
|
|
|
|
|
|
|
SUBROUTINE check_dims()
|
|
|
|
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__('cfft3',' nz is less than 1 ', 1)
|
|
|
|
END SUBROUTINE check_dims
|
|
|
|
|
|
|
|
SUBROUTINE lookup()
|
2016-01-30 15:03:00 +08:00
|
|
|
IF( dfti_first ) THEN
|
2015-11-21 18:37:48 +08:00
|
|
|
DO ip = 1, ndims
|
|
|
|
hand(ip)%desc => NULL()
|
|
|
|
END DO
|
|
|
|
dfti_first = .FALSE.
|
|
|
|
END IF
|
|
|
|
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_dfti()
|
|
|
|
if( ASSOCIATED( hand(icurrent)%desc ) ) THEN
|
|
|
|
dfti_status = DftiFreeDescriptor( hand(icurrent)%desc )
|
|
|
|
IF( dfti_status /= 0) THEN
|
|
|
|
WRITE(*,*) "stopped in DftiFreeDescriptor", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
END IF
|
|
|
|
|
|
|
|
dfti_status = DftiCreateDescriptor(hand(icurrent)%desc, DFTI_DOUBLE, DFTI_COMPLEX, 3,(/nx,ny,nz/))
|
|
|
|
IF(dfti_status /= 0) THEN
|
|
|
|
WRITE(*,*) "stopped in DftiCreateDescriptor", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
dfti_status = DftiSetValue(hand(icurrent)%desc, DFTI_NUMBER_OF_TRANSFORMS,1)
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DFTI_NUMBER_OF_TRANSFORMS", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
dfti_status = DftiSetValue(hand(icurrent)%desc, DFTI_PLACEMENT, DFTI_INPLACE)
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DFTI_PLACEMENT", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
tscale = 1.0_DP/ (nx * ny * nz)
|
|
|
|
dfti_status = DftiSetValue( hand(icurrent)%desc, DFTI_FORWARD_SCALE, tscale);
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DFTI_FORWARD_SCALE", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
tscale = 1.0_DP
|
|
|
|
dfti_status = DftiSetValue( hand(icurrent)%desc, DFTI_BACKWARD_SCALE, tscale );
|
|
|
|
IF(dfti_status /= 0)THEN
|
|
|
|
WRITE(*,*) "stopped in DFTI_BACKWARD_SCALE", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
|
|
|
|
dfti_status = DftiCommitDescriptor(hand(icurrent)%desc)
|
|
|
|
IF(dfti_status /= 0) THEN
|
|
|
|
WRITE(*,*) "stopped in DftiCreateDescriptor", dfti_status
|
|
|
|
STOP
|
|
|
|
ENDIF
|
|
|
|
|
|
|
|
dims(1,icurrent) = nx; dims(2,icurrent) = ny; dims(3,icurrent) = nz
|
|
|
|
ip = icurrent
|
|
|
|
icurrent = MOD( icurrent, ndims ) + 1
|
|
|
|
END SUBROUTINE init_dfti
|
|
|
|
|
|
|
|
END SUBROUTINE cfft3d
|
|
|
|
|
|
|
|
!
|
|
|
|
!=----------------------------------------------------------------------=!
|
|
|
|
!
|
|
|
|
!
|
|
|
|
!
|
|
|
|
! 3D scalar FFTs, but using sticks!
|
|
|
|
!
|
|
|
|
!
|
|
|
|
!
|
|
|
|
!=----------------------------------------------------------------------=!
|
|
|
|
!
|
|
|
|
|
2016-07-07 23:44:16 +08:00
|
|
|
SUBROUTINE cfft3ds (f, nx, ny, nz, ldx, ldy, ldz, isign, do_fft_z, do_fft_y)
|
2015-11-21 18:37:48 +08:00
|
|
|
!
|
|
|
|
implicit none
|
|
|
|
|
|
|
|
integer :: nx, ny, nz, ldx, ldy, ldz, isign
|
|
|
|
!
|
|
|
|
complex(DP) :: f ( ldx * ldy * ldz )
|
2016-07-07 23:44:16 +08:00
|
|
|
integer :: do_fft_y(:), do_fft_z(:)
|
2015-11-21 18:37:48 +08:00
|
|
|
!
|
|
|
|
CALL cfft3d (f, nx, ny, nz, ldx, ldy, ldz, isign)
|
|
|
|
|
|
|
|
END SUBROUTINE cfft3ds
|
|
|
|
|
|
|
|
!=----------------------------------------------------------------------=!
|
|
|
|
END MODULE fft_scalar
|
|
|
|
!=----------------------------------------------------------------------=!
|
|
|
|
|
|
|
|
#endif
|