Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aejk_v1_0.tar.gz(15949 Kbytes)|
|Manuscript Title: Parallel FFT-based Poisson Solver for Isolated Three-dimensional Systems|
|Authors: Reuben D. Budiardja, Christian Y. Cardall|
|Program title: PSPFFT|
|Catalogue identifier: AEJK_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 182(2011)2265|
|Programming language: Fortran 95.|
|Computer: Any architecture with a Fortran 95 compiler, distributed memory clusters.|
|Operating system: Linux, Unix.|
|Has the code been vectorised or parallelized?: Yes, using MPI. An arbitrary number of processors may be used (subject to some constraints). The program has been tested on from 1 up to ~ 13000 processors.|
|RAM: Depends on the problem size, approximaly 170 MBytes for 483 cells per process.|
|Keywords: Poisson's equation, Poisson solver.|
|Classification: 4.3, 6.5.|
External routines: MPI (http://www.mcs.anl.gov/mpi/),FFTW(http://www.fftw.org),Silo (https://wci.llnl.gov/codes/silo/) (only necessary for running test problem)
Nature of problem:
Solving Poisson's equation globally on unigrid mesh distributed across multiple processes on distributed memory system.
Numerical solution using multi-dimensional discrete Fourier Transform in a parallel Fortran 95 code.
This code can be compiled as a library to be readily linked and used as a black-box Poisson solver with other codes.
Depends on the size of the problem, but typically less than 1 second per solve.
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