build:reqpkgs
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build:reqpkgs [2020/08/10 20:31] – [Fast Fourier Transforms] Xavier Gonze | build:reqpkgs [2020/08/10 20:32] (current) – [LibXC] Xavier Gonze | ||
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The main library in wide use today is the FFTW3 which is very powerful, threaded, and optimized to death. | The main library in wide use today is the FFTW3 which is very powerful, threaded, and optimized to death. | ||
- | The vendor optimized mkl, ESSL and other libraries often provide versions of FFTW3 - use these as a priority | + | The vendor optimized mkl and other libraries often provide versions of FFTW3 - use these as a priority |
There exist other FFT libraries on the market, but abinit does not support them systematically.\\ Check the options of the configure script for more details. | There exist other FFT libraries on the market, but abinit does not support them systematically.\\ Check the options of the configure script for more details. | ||
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===== LibXC ===== | ===== LibXC ===== | ||
- | LibXC is a library implementing almost all known exchange correlation functionals.\\ | + | LibXC is a library implementing almost all known exchange correlation functionals.\\ |
You can download LibXC from its [[https:// | You can download LibXC from its [[https:// |
build/reqpkgs.1597084285.txt.gz · Last modified: 2020/08/10 20:31 by Xavier Gonze