| 9:02:03 AM PDT - Wed, Nov 3rd 2010 |
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Hi there, this is my first post on this forum. It is great to see it running and being used.
I can see that the default build FFT component of NWChem is a mixture of FFTPACK and pfft.
I noticed that this option to use FFTW was available, and was wondering if therefore NWChem can be built with an externally compiled FFT library such as FFTW ? If so, can it completely replace the need for FFTPACK and pfft ?
Thanks for your time.
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