mirror of https://gitlab.com/QEF/q-e.git
311 lines
8.6 KiB
Fortran
311 lines
8.6 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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#ifdef __FFTW
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subroutine bidon_sp
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stop 'cft_sp'
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end subroutine bidon_sp
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#else
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#ifdef __AIX
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!----------------------------------------------------------------------
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subroutine cft_1 (f, m, n, nx, sgn, fout)
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! ===============
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! driver routine for m 1d complex fft's (sp2/t3d only)
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! nx=n+1 is allowed (in order to avoid memory conflicts)
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! NOTA BENE: not in-place! output in fout
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!----------------------------------------------------------------------
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#include "f_defs.h"
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implicit none
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integer :: m, n, nx, sgn
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complex (kind=8) :: f (nx * m), fout (nx * m)
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integer :: sign, isign, op (2), om (2), naux1, naux2, itype
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parameter (naux1 = 20000, naux2 = 20000)
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real (kind=8) :: aux1p (naux1, 2), aux1m (naux1, 2), aux2 (naux2), &
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scale
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external DSCAL
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data op, om / 0, 0, 0, 0 /
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save op, om, aux1p, aux1m
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isign = - sign (1, sgn)
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itype = abs (sgn)
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if (itype.le.0.or.itype.gt.2) call errore ('cft_1', 'wrong call', &
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1)
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scale = 1.d0
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if (isign.eq.1) then
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if (n.ne.op (itype) ) then
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call dcft (1, f, 1, nx, fout, 1, nx, n, m, isign, scale, &
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aux1p (1, itype), naux1, aux2, naux2)
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op (itype) = n
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endif
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call dcft (0, f, 1, nx, fout, 1, nx, n, m, isign, scale, aux1p &
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(1, itype), naux1, aux2, naux2)
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call DSCAL (2 * nx * m, 1d0 / n, fout, 1)
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elseif (isign.eq. - 1) then
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if (n.ne.om (itype) ) then
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call dcft (1, f, 1, nx, fout, 1, nx, n, m, isign, scale, &
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aux1m (1, itype), naux1, aux2, naux2)
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om (itype) = n
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endif
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call dcft (0, f, 1, nx, fout, 1, nx, n, m, isign, scale, aux1m &
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(1, itype), naux1, aux2, naux2)
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else
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call errore ('cft_1', 'wrong sign', 1)
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endif
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return
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end subroutine cft_1
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!----------------------------------------------------------------------
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subroutine cft_2 (f, mplane, n1, n2, nx1, nx2, sgn)
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! ===============
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! driver routine for mplane 2d complex fft's of lenghts n1 and n2
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! nx1 is the actual dimension of f (may differ from n)
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! for compatibility: nx2=n2, nx2 is not used - sp2 version
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!
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!----------------------------------------------------------------------
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#include "f_defs.h"
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implicit none
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integer :: n1, n2, mplane, nx1, nx2, sgn
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complex (kind=8) :: f (nx1 * nx2 * mplane)
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integer :: isign, itype, o1p, o2p, o1m, o2m, m, incx2, incx1, k, &
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istrt, naux1, naux2
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parameter (naux1 = 20000, naux2 = 20000)
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real (kind=8) :: aux1p (naux1, 2), aux1m (naux1, 2), aux2 (naux2), &
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scale
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external DSCAL
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data o1p, o2p, o1m, o2m / 0, 0, 0, 0 /
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save o1p, o2p, o1m, o2m, aux1p, aux1m
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isign = - sign (1, sgn)
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itype = abs (sgn)
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if (itype.le.0.or.itype.gt.2) call errore ('cft_1', 'wrong call', &
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1)
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if (n2.ne.nx2) call errore ('cft_2', 'no longer implemented', 1)
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scale = 1.d0
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if (isign.eq.1) then
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! i - direction ...
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incx1 = 1
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incx2 = nx1
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m = n2 * mplane
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if (n1.ne.o1p) then
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call dcft (1, f, incx1, incx2, f, incx1, incx2, n1, m, &
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isign, scale, aux1p (1, 1), naux1, aux2, naux2)
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o1p = n1
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endif
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call dcft (0, f, incx1, incx2, f, incx1, incx2, n1, m, isign, &
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scale, aux1p (1, 1), naux1, aux2, naux2)
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! ... j-direction ...
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incx1 = nx1
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incx2 = 1
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m = n1
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if (n2.ne.o2p) then
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call dcft (1, f, incx1, incx2, f, incx1, incx2, n2, m, &
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isign, scale, aux1p (1, 2), naux1, aux2, naux2)
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o2p = n2
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endif
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do k = 1, mplane
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istrt = 1 + (k - 1) * nx1 * n2
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call dcft (0, f (istrt), incx1, incx2, f (istrt), incx1, incx2, &
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n2, m, isign, scale, aux1p (1, 2), naux1, aux2, naux2)
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enddo
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call DSCAL (2 * nx1 * n2 * mplane, 1d0 / (n1 * n2), f, 1)
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elseif (isign.eq. - 1) then
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! i - direction ...
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incx1 = 1
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incx2 = nx1
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m = n2 * mplane
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if (n1.ne.o1m) then
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call dcft (1, f, incx1, incx2, f, incx1, incx2, n1, m, &
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isign, scale, aux1m (1, 1), naux1, aux2, naux2)
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o1m = n1
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endif
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call dcft (0, f, incx1, incx2, f, incx1, incx2, n1, m, isign, &
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scale, aux1m (1, 1), naux1, aux2, naux2)
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! ... j-direction ...
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incx1 = nx1
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incx2 = 1
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m = n1
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if (n2.ne.o2m) then
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call dcft (1, f, incx1, incx2, f, incx1, incx2, n2, m, &
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isign, scale, aux1m (1, 2), naux1, aux2, naux2)
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o2m = n2
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endif
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do k = 1, mplane
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istrt = 1 + (k - 1) * nx1 * n2
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call dcft (0, f (istrt), incx1, incx2, f (istrt), incx1, incx2, &
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n2, m, isign, scale, aux1m (1, 2), naux1, aux2, naux2)
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enddo
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else
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call errore ('cft_2', 'wrong sign', 1)
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endif
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return
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end subroutine cft_2
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!----------------------------------------------------------------------
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subroutine cft_2s (f, mplane, n1, n2, nx1, nx2, sgn, planes)
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! ===============
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! driver routine for mplane 2d complex fft's of lengths n1 and n2
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! for wavefunctions (planes used) - uses ESSL
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! nx1 is the actual dimension of f (may differ from n)
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! for compatibility: nx2=n2, nx2 is not used
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!
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!----------------------------------------------------------------------
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#include "f_defs.h"
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implicit none
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integer :: n1, n2, mplane, nx1, nx2, sgn, planes (nx1)
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complex (kind=8) :: f (nx1 * nx2 * mplane)
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integer :: isign, itype, o1p, o2p, o1m, o2m, m, incx2, incx1, k, &
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i, istrt, naux1, naux2
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parameter (naux1 = 20000, naux2 = 20000)
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real (kind=8) :: aux1p (naux1, 2), aux1m (naux1, 2), aux2 (naux2), &
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scale
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external DSCAL
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data o1p, o2p, o1m, o2m / 0, 0, 0, 0 /
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save o1p, o2p, o1m, o2m, aux1p, aux1m
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isign = - sign (1, sgn)
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itype = abs (sgn)
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if (itype.le.0.or.itype.gt.2) call errore ('cft_2', 'wrong call', &
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1)
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if (n2.ne.nx2) call errore ('cft_2', 'no longer implemented', 1)
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scale = 1.d0
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! check how many columns along x are nonzero
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m = 0
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do i = 1, n1
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m = m + planes (i)
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enddo
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if (m.gt.n1.or.m.le.0) call errore ('cft_2', 'something wrong with planes', 1)
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!
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if (isign.eq.1) then
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! ... i - direction
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incx1 = 1
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incx2 = nx1
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m = n2 * mplane
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if (n1.ne.o1p) then
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call dcft (1, f, incx1, incx2, f, incx1, incx2, n1, m, &
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isign, scale, aux1p (1, 1), naux1, aux2, naux2)
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o1p = n1
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endif
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call dcft (0, f, incx1, incx2, f, incx1, incx2, n1, m, isign, &
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scale, aux1p (1, 1), naux1, aux2, naux2)
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! j-direction ...
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incx1 = nx1
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incx2 = 1
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m = 1
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if (n2.ne.o2p) then
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call dcft (1, f, incx1, incx2, f, incx1, incx2, n2, m, &
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isign, scale, aux1p (1, 2), naux1, aux2, naux2)
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o2p = n2
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endif
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do i = 1, n1
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!
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! do only ffts on columns (i,*,k) resulting in nonzero components
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!
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if (planes (i) .eq.1) then
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do k = 1, mplane
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istrt = i + (k - 1) * nx1 * n2
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call dcft (0, f (istrt), incx1, incx2, f (istrt), incx1, &
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incx2, n2, m, isign, scale, aux1p (1, 2), naux1, aux2, &
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naux2)
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enddo
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endif
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enddo
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call DSCAL (2 * nx1 * n2 * mplane, 1d0 / (n1 * n2), f, 1)
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elseif (isign.eq. - 1) then
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! ... j-direction
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incx1 = nx1
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incx2 = 1
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m = 1
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if (n2.ne.o2m) then
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call dcft (1, f, incx1, incx2, f, incx1, incx2, n2, m, &
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isign, scale, aux1m (1, 2), naux1, aux2, naux2)
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o2m = n2
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endif
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do i = 1, n1
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!
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! do only ffts for columns (i,*,k) having nonzero components
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!
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if (planes (i) .eq.1.or.itype.eq.1) then
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do k = 1, mplane
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istrt = i + (k - 1) * nx1 * n2
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call dcft (0, f (istrt), incx1, incx2, f (istrt), incx1, &
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incx2, n2, m, isign, scale, aux1m (1, 2), naux1, aux2, &
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naux2)
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enddo
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endif
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enddo
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! i - direction ...
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incx1 = 1
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incx2 = nx1
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m = n2 * mplane
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if (n1.ne.o1m) then
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call dcft (1, f, incx1, incx2, f, incx1, incx2, n1, m, &
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isign, scale, aux1m (1, 1), naux1, aux2, naux2)
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o1m = n1
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endif
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call dcft (0, f, incx1, incx2, f, incx1, incx2, n1, m, isign, &
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scale, aux1m (1, 1), naux1, aux2, naux2)
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else
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call errore ('cft_2', 'wrong sign', 1)
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endif
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return
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end subroutine cft_2s
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#else
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subroutine bidon_sp
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stop 'cft_sp'
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end subroutine bidon_sp
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#endif
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#endif
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