LAMMPS for beginners - Sandia National Laboratories
LAMMPS for beginners - Sandia National Laboratories
LAMMPS for beginners - Sandia National Laboratories
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Parallel FFTs• 3d FFT is 3 sets of 1d FFTsin parallel, 3d grid is distributed across procsper<strong>for</strong>m 1d FFTs on-processornative library or FFTW (www.fftw.org)1d FFTs, transpose, 1d FFTs, transpose, ..."transpose” = data transfertransfer of entire grid is costly• FFTs <strong>for</strong> PPPM can scale poorlyon large # of procs and on clusters• Good news: Cost of PPPM is only ~2x more than 8-10 Angstrom cutoff
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