Same compilation problem on various machines

[Kirill Zinovjev]

Hi Jadzia,
You are totally right, thank you very much for pointing this out! Now my 
life is a bit easier :-)

Best,

Kirill

пятница, 29 сентября 2017 г., 11:06:31 UTC+2 пользователь Jadzia написал:
>
> 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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