3D FFT for wavefunctions: serial or parallel?
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chensy
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3D FFT for wavefunctions: serial or parallel?
In comparison with VASP4.6.xx, the VASP5.x.x seems to employ the serial 3D FFT for wavefunctions. This is found from the OUTCAR. For the VASP4.6.x, the parallel 3D FFT for wavefunctions is used. Does the serial 3D FFT for wavefunctions significantly increase the computing time? Can we switch on the paralell 3D FFT for wavefunctions in the calculations with VASP5.x.x? If yes, how can do it?
Last edited by chensy on Tue Apr 27, 2010 12:33 pm, edited 1 time in total.
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support_vasp
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Re: 3D FFT for wavefunctions: serial or parallel?
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