[CP2K-user] [CP2K:18959] Installation problems

[Léon Luntadila Lufungula]

Hi Matthias,

I tried adding the path to the library file ( 
/home/leon/software/cp2k-8.2/tools/toolchain/install/SpFFT-0.9.13/lib/libspfft.so.0 ) to 
the LDFLAGS of the local*.p* files as suggested on another post 
<https://groups.google.com/g/cp2k/c/XJjXGBVV8Us/m/D5fm-MPkBwAJ>, but I 
guess I owuld have to re-do the  make -j 88 ARCH=local VERSION="ssmp sdbg 
psmp pdbg"  command for this to work, right?

Best,
Léon

On Thursday, 22 June 2023 at 13:48:27 UTC+2 Léon Luntadila Lufungula wrote:

> Hi Matthias,
>
> Thanks for the quick reply! 
>
> If I try "source 
> /home/leon/software/cp2k-8.2/tools/toolchain/install/setup" I get the 
> following:
>
> -bash: /home/leon/Software/cp2k-8.2/tools/toolchain/scripts/tool_kit.sh: 
> No such file or directory
> prepend_path: command not found
> prepend_path: command not found
>
> ...
>
> prepend_path: command not found
> prepend_path: command not found
> prepend_path: command not found
> prepend_path: command not found
>
> I'm not so accustomed to installing software on a Linux computer, so 
> perhaps I did something wrong somewhre...
>
> I am installing this version because it is also the version that is 
> installed on my HPC centre. The queue on our HPC centre is ridiculous at 
> the moment, even for very short calculations and that's why I am installing 
> it on our local machine, as I am still testing my calculations and can't 
> wait so long for simple tests...
>
> Best,
> Léon
> On Thursday, 22 June 2023 at 13:42:36 UTC+2 Krack Matthias wrote:
>
>> Hi Léon
>>
>>  
>>
>> Did you source the setup file before running cp2k.psmp?
>>
>>  
>>
>> source cp2k/tools/toolchain/install/setup
>>
>>  
>>
>> Why do you install such an old CP2k release?
>>
>>  
>>
>> Best
>>
>>  
>>
>> Matthias
>>
>>  
>>
>> *From: *cp... at googlegroups.com <cp... at googlegroups.com> on behalf of 
>> Léon Luntadila Lufungula <Leon.luntad... at uantwerpen.be>
>> *Date: *Thursday, 22 June 2023 at 13:37
>> *To: *cp2k <cp... at googlegroups.com>
>> *Subject: *[CP2K:18956] Installation problems
>>
>> Dear all,
>>
>>  
>>
>> I've just finished installing CP2K v8.2 on a local machine running Ubuntu 
>> 16.04. I followed the steps in How to compile the CP2K code 
>> <https://github.com/cp2k/cp2k/blob/master/INSTALL.md> by performing the 
>> following commands:
>>
>>  
>>
>> wget 
>> https://github.com/cp2k/cp2k/releases/download/v8.2.0/cp2k-8.2.tar.bz2
>> tar xfv cp2k-8.2.tar.bz2
>> cd cp2k-8.2/
>> cd tools/toolchain
>>
>> ./install_cp2k_toolchain.sh --install-all
>>
>> make -j 88 ARCH=local VERSION="ssmp sdbg psmp pdbg"
>>
>>  
>>
>> Everything seemed to work without a problem but when I try to run for 
>> example the cp2k.psmp executable, I get the following error:
>>
>>  
>>
>> ./cp2k.psmp: error while loading shared libraries: libspfft.so.0: cannot 
>> open shared object file: No such file or directory
>>
>>  
>>
>> The "sudo find / -name libspfft.so.0" command shows that the library file 
>> can be found in 
>> either /home/leon/software/cp2k-8.2/tools/toolchain/install/SpFFT-0.9.13/lib/libspfft.so.0 
>> or /home/leon/software/cp2k-8.2/tools/toolchain/build/SpFFT-0.9.13/build-cpu/src/libspfft.so.0 
>> and I have tried to include it via an export statement but this does not 
>> work. Does anyone know how I can fix this issue?
>>
>>  
>>
>> Your help would be greatly appreciated!
>>
>>  
>>
>> All the best,
>>
>> Léon
>>
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>>
>

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