Same compilation problem on various machines

[Jadzia]

Hi Kirill,

yes, there might be no more i-pi patches for cp2k after version 2.4, but to 
my knowledge this is because cp2k now supports it natively without any 
patches. See the keyword  CP2K_INPUT / MOTION / DRIVER in the manual.

Best wishes,
Jadzia



On Wednesday, September 27, 2017 at 7:17:08 PM UTC+2, Kirill Zinovjev wrote:
>
> 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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