mirror of https://gitlab.com/QEF/q-e.git
155 lines
4.4 KiB
Fortran
155 lines
4.4 KiB
Fortran
!
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! Copyright (C) 2001 PWSCF group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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# if defined __AIX || defined __FFTW || defined __SGI
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# define __FFT_MODULE_DRV
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# endif
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#ifdef __PARA
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!
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!----------------------------------------------------------------------
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subroutine cft3 (f, n1, n2, n3, nx1, nx2, nx3, sign)
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!----------------------------------------------------------------------
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!
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! sign = +-1 : parallel 3d fft for rho and for the potential
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!
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! sign = +1 : G-space to R-space, output = \sum_G f(G)exp(+iG*R)
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! fft along z using pencils (cft_1)
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! transpose across nodes (fft_scatter)
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! and reorder
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! fft along y and x (cft_2)
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! sign = -1 : R-space to G-space, output = \int_R f(R)exp(-iG*R)/Omega
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! fft along x and y (cft_2)
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! transpose across nodes (fft_scatter)
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! and reorder
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! fft along z using pencils (cft_1)
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!
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#include "machine.h"
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#if defined __FFT_MODULE_DRV
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use fft_scalar, only : cft_1z, cft_2xy
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#endif
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use sticks, only: dfftp
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use fft_base, only: fft_scatter
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USE kinds, only : DP
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use para, only: nct, ncp, ncplane, nprocp, nxx, me, npp
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implicit none
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integer :: n1, n2, n3, nx1, nx2, nx3, sign
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complex (kind=DP) :: f (nxx)
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integer :: nxx_save, mc, i, j, ii, iproc, nppx
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complex (kind=DP), allocatable :: aux (:)
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!
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call start_clock ('cft3')
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allocate( aux( nxx ) )
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!
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! the following is needed if the fft is distributed over only one proces
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! for the special case nx3.ne.n3. Not an elegant solution, but simple, f
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! and better than the preceding one that did not work in some cases. Not
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! that fft_scatter does nothing if nprocp=1. PG
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!
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if (nprocp.eq.1) then
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nppx = nx3
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else
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nppx = npp (me)
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endif
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!
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if (sign.eq.1) then
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#if defined __FFT_MODULE_DRV
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call cft_1z (f, ncp (me), n3, nx3, sign, aux)
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! call cft_1z (f, dfftp%nsp(me), n3, nx3, sign, aux)
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#else
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call cft_1 (f, ncp (me), n3, nx3, sign, aux)
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#endif
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call fft_scatter (aux, nx3, nxx, f, ncp, npp, sign)
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f(:) = (0.d0,0.d0)
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do i = 1, nct
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mc = dfftp%ismap (i)
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do j = 1, npp (me)
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f (mc + (j - 1) * ncplane) = aux (j + (i - 1) * nppx)
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enddo
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enddo
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#if defined __FFT_MODULE_DRV
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call cft_2xy (f, npp (me), n1, n2, nx1, nx2, sign)
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! call cft_2xy (f, dfftp%npp (me), n1, n2, nx1, nx2, sign)
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#else
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call cft_2 (f, npp (me), n1, n2, nx1, nx2, sign)
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#endif
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elseif (sign.eq. - 1) then
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#if defined __FFT_MODULE_DRV
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call cft_2xy (f, npp (me), n1, n2, nx1, nx2, sign)
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! call cft_2xy (f, dfftp%npp (me), n1, n2, nx1, nx2, sign)
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#else
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call cft_2 (f, npp (me), n1, n2, nx1, nx2, sign)
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#endif
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do i = 1, nct
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mc = dfftp%ismap (i)
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do j = 1, npp (me)
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aux (j + (i - 1) * nppx) = f (mc + (j - 1) * ncplane)
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enddo
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enddo
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call fft_scatter (aux, nx3, nxx, f, ncp, npp, sign)
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#if defined __FFT_MODULE_DRV
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call cft_1z (aux, ncp (me), n3, nx3, sign, f)
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! call cft_1z (aux, dfftp%nsp (me), n3, nx3, sign, f)
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#else
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call cft_1 (aux, ncp (me), n3, nx3, sign, f)
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#endif
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else
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call errore ('cft3', 'not allowed', abs (sign) )
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endif
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deallocate( aux )
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call stop_clock ('cft3')
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return
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end subroutine cft3
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#else
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!
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!----------------------------------------------------------------------
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subroutine cft3 (f, n1, n2, n3, nx1, nx2, nx3, sign)
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!----------------------------------------------------------------------
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!
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#if defined __FFT_MODULE_DRV
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use fft_scalar, only : cfft3d
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#endif
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USE kinds
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implicit none
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integer :: n1, n2, n3, nx1, nx2, nx3, sign
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complex(kind=DP) :: f (nx1 * nx2 * nx3)
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call start_clock ('cft3')
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!
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! sign = +-1 : complete 3d fft (for rho and for the potential)
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!
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if (sign.eq.1) then
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#if defined __FFT_MODULE_DRV
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call cfft3d (f, n1, n2, n3, nx1, nx2, nx3, 1)
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#else
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call cft_3 (f, n1, n2, n3, nx1, nx2, nx3, 1, 1)
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#endif
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elseif (sign.eq. - 1) then
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#if defined __FFT_MODULE_DRV
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call cfft3d (f, n1, n2, n3, nx1, nx2, nx3, - 1)
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#else
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call cft_3 (f, n1, n2, n3, nx1, nx2, nx3, 1, - 1)
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#endif
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else
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call errore ('cft3', 'what should i do?', 1)
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endif
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call stop_clock ('cft3')
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return
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end subroutine cft3
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#endif
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