[CP2K-user] [CP2K:20604] Re: CP2K 2024.2 Compilation Error

[Frederick Stein]

Dear Steven,
It seems like some incompatability with the compiler. Your output only 
tells me that it is GCC. What version of the compiler are you using (Post 
the output of `gfortran --version` and/or `mpifort --version`)?
Best,
Frederick

Steven Turner schrieb am Donnerstag, 22. August 2024 um 12:35:46 UTC+2:

> Hi All,
>
> I'm attempting to compile CP2K 2024.2 from source and getting the 
> following errors after running the make command regarding dbcsr, full 
> errors are as shown in the out.log file:
> Error: 'pgrid' at (1) is not a member of the 'dbcsr_t_type' structure
> make[4]: *** [dbcsr_tensor_types.o] Error 1
> make[3]: *** [libdbcsr] Error 2
> make[2]: *** [dbcsr] Error 2
> make[2]: *** Waiting for unfinished jobs....
> make[1]: *** [psmp] Error 2
> make: *** [all] Error 2
>
> My workflow was simply:
>
> cd tools/toolchain/
>
> ./install_cp2k_toolchain.sh --with-libxsmm=install --with-fftw=install 
> --with-libint=no --with-scalapack=install --with-elpa=no --with-libxc=no 
> --with-sirius=no --with-cosma=no --with-plumed=no
>
> cd ../..
>
> cp tools/toolchain/install/arch/* arch/.
>
> make -j 10
>
>
> Any assistance or ideas of what is causing the error is much appreciated.
>
>
> Many Thanks
>
>
> Steven
>

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