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Software for scalable 3D Fast Fourier Transforms available

Posted by Dmitry Pekurovsky on 04/06/2018 00:37 UTC

Hello XSEDE users,

P3DFFT, a numerical library, is available as community software for XSEDE users. This library provides a scalable solution for three-dimensional Fast Fourier Transforms, especially efficient on core counts exceeding the linear grid size. It features one- or two-dimensional domain decomposition. Currently implemented transforms are: real-to-complex Fourier transforms, cosine/sine and Chebyshev transforms. It uses MPI and is available with C and Fortran interface. A hyrbid MPI/OpenMP implementation is also available. Other options include:

  • in-place and out-of-place transforms
  • single and double precision
  • pruned transforms (a subset of Fourier components is kept).

The library is currently installed on Comet and Stampede2 systems. For access use “module load p3dfft” and “module display p3dfft”. The library is also available as an open source for a custom installation. A number of examples in Fortran and C is available for ease of integration. For more information see P3DFFT at XSEDE as well as the P3DFFT project website.

P3DFFT is under additional development. Comments, questions or suggestions should be directed to