Intel® oneAPI Math Kernel Library
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oneMKL for Quantum Espresso

rigustafson
Beginner
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Hi,

When making the configuration file for Quantum Espresso 7.0, I want to use the DFTI library for doing FFT. However, either I can't find the libraries to link to or I am not using the correct configuration setup.

 

Do I need to create a wrapper library for this? I have seen previous posts related to what I am trying to do (https://community.intel.com/t5/Intel-oneAPI-Math-Kernel-Library/How-to-correctly-compile-Quantum-Espresso-with-intel-MKL/m-p/1082268 , https://coprocessor54.rssing.com/chan-17498107/article22.html) but I don't know if those will work for a single pc with multi-core running WSL 2 Ubuntu-20.04

Please help as I am quite new to using Intel's MKL.


Many Thanks!

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