Option in config/makefile.h: USE FFTW
Just Got Here
9:02:03 AM PDT - Wed, Nov 3rd 2010
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.

Just Got Here
2:04:11 AM PST - Thu, Nov 11th 2010
Has anyone got comments on this topic ?

Thanks


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