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3D Fourier Transforms?

  1. Apr 7, 2016 #1
    Hi, I have a FORTRAN code with an array called Chi that I want to run an inverse FT on. I have defined two spaces X and K which each consist of 3 vectors running across my physical verse and inverse space.

    My code (If it works??) is extremely slow and inefficient (see below). What is the best way of doing a 3D IFT computationally?


    !Real & Inverse Spaces
    do i1 = 1, 2*No_x +1
    x_x(i1) = -L/2.d0 + dx*(i1-1)
    x_y(i1) = -L/2.d0 + dx*(i1-1)
    x_z(i1) = -L/2.d0 + dx*(i1-1)
    xi_x(i1) = (i1-(No_k+1))*(2.d0*pi/L)
    xi_y(i1) = (i1-(No_k+1))*(2.d0*pi/L)
    xi_z(i1) = (i1-(No_k+1))*(2.d0*pi/L)
    end do

    chi = blablabla
    !chi is a function of xi

    !3d IFT
    do r1 = 1,2*No_x +1
    do r2 = 1,2*No_x +1
    do r3 = 1,2*No_x +1
    chi_ift(r1,r2,r3) = 0
    do i1 = 1,2*No_k +1
    do i2 = 1,2*No_k +1
    do i3 = 1,2*No_k +1
    chi_ift(r1,r2,r3) = chi_ift(r1,r2,r3) + chi(i1,i2,i3)*exp(imagi*xi_z(i3)*x_z(r3))
    end do
    chi_ift(r1,r2,r3) = chi_ift(r1,r2,r3) + chi(i1,i2,i3)*exp(imagi*xi_y(i2)*x_y(r2))
    end do
    chi_ift(r1,r2,r3) = chi_ift(r1,r2,r3) + chi(i1,i2,i3)*exp(imagi*xi_x(i1)*x_x(r1))
    end do
    end do
    end do
    end do
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  2. jcsd
  3. Apr 7, 2016 #2


    Staff: Mentor

    Definitely you should use a standard library like FFTPACK. Unless it is a classroom exercise you should not be rewriting FFT algorithms.
  4. Apr 8, 2016 #3
    Well, for popular algorithms, what Dale said.

    Other than that, you need to learn to manipulate arrays en masse, a-la-matlab, whenever possible. This tells the compiler that assignments can be done in any order and without having to carefully traverse one index at a time, or switching from evaluating one array and then another and loop again.

    You initialization do-loop above, can be made at least 3 times faster by not having to repeat the calculations; an even faster if you forget the loop altogether:
    Code (Text):

    iarr(1:n) = (/ (i1-1, i1=1,n) /)

    x_x(1:n) = -L/2.0 + dx*iarr(1:n)
    x_y(1:n) = x_x(1:n)
    x_Z(1:n) = x_x(1:n)

    xi_x(1:n) = ( iarr(1:n) - No_k )*2.0*pi/L
    xi_y(1:n) = xi_x(1:n)
    xi_z(1:n) = xi_x(1:n)
  5. Apr 8, 2016 #4
    i'll give this a whirl
  6. Apr 8, 2016 #5
    hey i'm a really crummy programmer. Which subroutine do I use and how do I implement it (given I'm doing a 3d complex to real transform)?
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