[CP2K-user] [CP2K:22129] cp2k installation help on CentOS 7
chinmay
noddytester8005 at gmail.com
Fri Mar 6 05:51:59 UTC 2026
Hello all,
I am currently using Environment Modules to manage my software environment
for installing CP2K. At present, I am attempting to install CP2K version
2024.3. My loaded modules include:
-
cmake-3.26.5
-
OpenBLAS-0.3.27
-
gcc-10.2.0
-
mpich-3.3.2
-
scalapack-2.0.2
However, I am encountering multiple library-related issues with OpenBLAS
and ScaLAPACK during the build process.
Could someone advise on the appropriate versions of all dependencies
required for CP2K on CentOS 7? Additionally, recommendations on the most
compatible CP2K version and its corresponding dependency versions would be
greatly appreciated.
Thank you in advance for your guidance.
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