Same compilation problem on various machines

Andreas Glöss andreas... at gmail.com
Mon Sep 25 14:50:51 UTC 2017


Dear Kirill,

I'm wondering about why you want to compile CP2K - that has evolved rapidly 
- in version 2.4, which is almost 4 years old. Things have changed a lot - 
not only our build process, but also library versions, interfaces, and ....

However if you really want to use the (most recent) toolchain to compile 
this old code you have to adapt the ARCH-files by hand. I attach the 
modified SOPT ARCH-file, which misses XSMM, LIBXC and QUIP, because of 
version conflicts. Also, LIBXSMM wasn't invented at that time.

If you need LIBXC in combination with CP2K-2.4, you have to download and 
recompile the entire toolchain in version eg. 17713:

svn checkout -r 17713 
https://svn.code.sf.net/p/cp2k/code/trunk/cp2k/tools/toolchain toolchain
... compile_as_before ...

, then add -D__LIBXC2 to the DFLAGS.

Hope this helps, but I strongly recommend a newer version of CP2K,
Andreas
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