Same compilation problem on various machines

[Kirill Zinovjev]

Dear Andreas,

Now it's working, thank you very much! I have to use an old version of cp2k 
because it will be interfaced with i-pi code for RPMD simulations and the 
latest i-pi patch for cp2k is for the version 2.4.

Thanks again!

Kirill

понедельник, 25 сентября 2017 г., 16:50:51 UTC+2 пользователь Andreas Glöss 
написал:
>
> 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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