mirror of https://gitlab.com/QEF/q-e.git
167 lines
4.4 KiB
Fortran
167 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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#ifdef __FFTW
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subroutine bidon_t3e
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stop 'cft_t3e'
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end subroutine bidon_t3e
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#else
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#ifdef __T3E
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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 of lenght n
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! nx is the actual dimension of f (may differ from n)
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! t3d/t3e version
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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, on (2), naux1, naux2, itype, i
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parameter (naux1 = 20000, naux2 = 10000)
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!
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! NOTA BENE: naux1 and naux2 should be checked
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!
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real (kind=8) :: aux1 (naux1, 2), aux2 (naux2), scale
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external DSCAL
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data on / 0, 0 /
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save on, aux1
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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 (n.ne.on (itype) ) then
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call ccfft (0, n, scale, f, fout, aux1 (1, itype), aux2, 0)
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on (itype) = n
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endif
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do i = 1, m
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call ccfft (isign, n, scale, f (1 + (i - 1) * nx), fout (1 + &
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(i - 1) * nx), aux1 (1, itype), aux2, 0)
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enddo
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if (sgn.lt.0) call DSCAL (2 * nx * m, 1d0 / n, fout, 1)
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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=n1+1 is allowed (in order to avoid memory conflicts)
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! for compatibility: nx2=n2, nx2 is not used - t3d/t3e 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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complex (kind=8) :: f (nx1 * nx2 * mplane)
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integer :: n1, n2, mplane, nx1, nx2, sgn
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integer :: sign, isign, o1p, o2p, o1m, o2m, m, k, istrt, naux1, &
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naux2, i
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parameter (naux1 = 20000, naux2 = 10000)
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!
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! NOTA BENE: naux1 and naux2 should be checked
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!
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real (kind=8) :: aux1p (naux1, 2), aux1m (naux1, 2), aux2 (naux2), &
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scale
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complex (kind=8) :: fj (naux2)
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! NOTA BENE: fj should be dimensioned fj(2*n2)
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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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if (n2.ne.nx2) call errore ('cft_2', 'no longer implemented', 1)
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scale = 1.d0
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! WRITE( stdout,*)'in cft_2 ',n1,n2,nx1,nx2
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if (isign.gt.0) then
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! i - direction ...
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m = n2 * mplane
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if (n1.ne.o1p) then
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call ccfft (0, n1, scale, f, f, aux1p (1, 1), aux2, 0)
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o1p = n1
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endif
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do i = 1, m
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call ccfft ( - isign, n1, scale, f (1 + (i - 1) * nx1), &
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f (1 + (i - 1) * nx1), aux1p (1, 1), aux2, 0)
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enddo
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! ... j-direction ...
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m = n1
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if (n2.ne.o2p) then
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call ccfft (0, n2, scale, f, f, aux1p (1, 2), aux2, 0)
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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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do i = 1, m
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call ZCOPY (n2, f (istrt + i - 1), nx1, fj, 1)
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call ccfft ( - isign, n2, scale, fj, fj, aux1p (1, 2), aux2, 0)
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call ZCOPY (n2, fj, 1, f (istrt + i - 1), nx1)
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enddo
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enddo
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call DSCAL (2 * nx1 * n2 * mplane, 1d0 / (n1 * n2), f, 1)
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else
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! i - direction ...
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m = n2 * mplane
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if (n1.ne.o1m) then
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call ccfft (0, n1, scale, f, f, aux1m (1, 1), aux2, 0)
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o1m = n1
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endif
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do i = 1, m
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call ccfft ( - isign, n1, scale, f (1 + (i - 1) * nx1), &
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f (1 + (i - 1) * nx1), aux1m (1, 1), aux2, 0)
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enddo
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! ... j-direction ...
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m = n1
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if (n2.ne.o2m) then
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call ccfft (0, n2, scale, f, f, aux1m (1, 2), aux2, 0)
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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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do i = 1, m
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call ZCOPY (n2, f (istrt + i - 1), nx1, fj, 1)
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call ccfft ( - isign, n2, scale, fj, fj, aux1m (1, 2), aux2, 0)
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call ZCOPY (n2, fj, 1, f (istrt + i - 1), nx1)
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enddo
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enddo
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endif
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return
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end subroutine cft_2
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#else
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subroutine bidon_t3e
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stop 'cft_t3e'
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end subroutine bidon_t3e
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#endif
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#endif
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