Cp2k installation advice

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Michele Loriso

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Dec 26, 2025, 8:08:40 AM (yesterday) Dec 26

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Good afternoon,

Our research group recently acquired an Asus RS720-E12 server, featuring 2 x Intel Xeon 6740P processors (48 cores/96 threads at 2.1 GHz) and 512 GB of RAM. We have already installed Ubuntu 24 LTS, and now we're ready to install a suitable version of CP2K.

I read that using the package manager (e.g., apt install cp2k) does not provide the most recent version, so we are planning to compile the source code. We would like to know which configuration (i.e., sopt or popt) would be most suitable for our machine.