[CP2K-user] [CP2K:20296] Re: Errors in Compiling CP2K 9.1

[Frederick Stein]

Dear Lenard,
The Toolchain script has several options which you may check by running 
"./install_cp2k_toolchain.sh -h". It should tell you that you can turn off 
features such as MKL or ELPA with flags like "--with-mkl=no" or 
"--with-elpa=no". I kindly ask you to consider the other available options 
as well.
If you have rerun the original toolchain script setting the relevant 
options, post the respective commands+outputs here, if it still fails.
Best,
Frederick

Lenard Carroll schrieb am Dienstag, 11. Juni 2024 um 13:54:30 UTC+2:

> Good day, I am trying to compile CP2K 9.1 for use with an AIMD Ryzen-3960X 
> and 2 RTX 3070 Ti GPUs. Ubuntu 20.04
>
> I started off by editing the install_cp2k_toolchain.sh to not use MKL or 
> ELPA. To use OpenMPI, GPU version V100, to enable CUDA and to install a few 
> libraries/packages. Many of them I also compiled manually because I was 
> getting many errors doing it through CP2K's toolchain. I am including the 
> toolchain file just in case.
>
> Unfortunately I have obtained several errors.
>
> The toolchain process goes smoothly, it is the *make *process that is not 
> going well:
>
> I have included the output of the make process
>
>

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