[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.

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion visit https://groups.google.com/d/msgid/cp2k/aa7c69f8-1a14-41f3-9078-084a657cf474n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20260305/c624634e/attachment.htm>


More information about the CP2K-user mailing list