[CP2K-user] [CP2K:21757] Pointers for building under Linux

Mike Pacey mikepacey77 at gmail.com
Wed Aug 20 14:47:33 UTC 2025


Hi folks,

Has anyone managed to get this to build to MPI under Linux and can advise 
what compiler and MPI versions work (for reference I'm building on Rocky 8)

I've tried various version of Intel MPI, but one of the packages generates 
an error related to support for the c++17 standard, so I tried to switching 
to Gnu and OpenMPI

Older version of GNU (8.2.0 and 10.2.) both fail when building ELSA with an 
error "Your MPI implementation does not provide a sufficient threading 
level for OpenMP". Building a modern version (OpenMPI 5.0.8 with Gnu 
15.2.0) fails with one of packages missing include <cstdint> statements - 
which seems to be a change in header files from earlier versions.

I'm hoping someone can provide a pointer so I can avoid having to install 
different versions of GNU until I find one that works!

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