[CP2K-user] [CP2K:21054] Re: Compilation error during the SIRIUS build for GPU

[Dobromir A Kalchevski]

Hello,

I noticed that the package SpFFT gives the same kind of errors during 
compilation.

It is just SpFFT and SIRIUS.

Best Regards,
Dobromir

  

On Friday, January 17, 2025 at 12:27:50 AM UTC+2 Dobromir A Kalchevski 
wrote:

> Hello,
>
> I am trying to compile cp2k 2025.1 for GPU and during the sirius build I 
> get the errors, attached in the log file. The sirius version is the one 
> that cp2k downloads - 7.6.1.
>
> I use the command
> ./install_cp2k_toolchain.sh --mpi-mode=mpich --with-mpich --with-gcc 
> --enable-cuda --gpu-ver=H100 --with-cusolvermp
>
> My uname -a is: Linux samara 6.12.8-1530.native #1 SMP PREEMPT Fri Jan  3 
> 14:35:55 PST 2025 x86_64 GNU/Linux
>
> My GCC version is 14.1.0
> My nvidia driver version is 560
> My CUDA version is 12.6.3
> My video card is RTX 4080 Super
>
> cp2k compiles fine for CPU only.
>
> All previous dependencies compile fine.
>
> For the purpose of searching the errors are of type:
>
> Installing from scratch into 
> /home/lsd/Downloads/cp2k-2025.1_mpich_gcc14_cuda/tools/toolchain/install/sirius-7.6.1
> patching file src/potential/xc_functional_base.hpp
> | ^~~~~~~~~
> | float3
>
> /usr/include/bits/mathcalls-narrow.h:39:8: error: ‘_Float32x’ does not
> name a type; did you mean ‘float3’?
> ...
> /usr/include/bits/iscanonical.h:51:24: error: ‘int iscanonical’
> redeclared as different kind of entity
>
>  51 | inline int iscanonical (_Float128 __val) { return __iscanonicalf128 
> (__val); }
>     |                        ^~~~~~~~~
> ...
> /usr/include/bits/iscanonical.h:49:12: note: previous declaration ‘int
> iscanonical(long double)’
>
>  49 | inline int iscanonical (long double __val) { return __iscanonicall 
> (__val); }
>     |            ^~~~~~~~~~~
> ...
>
> --error 0x1 --
>
> Best Regards,
> Dobromir
>
>   
>

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