[CP2K-user] [CP2K:20755] Re: compilation problems - LHS and RHS of an assignment statement have incompatible types

[Frederick Stein]

Dear Bartosz,
If you want to compile with Intel, then drop the "--with-gcc" flag. 
Regarding Intel, we do not test Intel 2022.2 anymore. You should try the 
IntelOneAPI containing more recent compilers instead.  We are currently 
testing version 2024.2.
The warnings can be ignored for now, but we are aware of that issue and 
will make adjustments later after dropping some older compilers.
Regarding the runtime errors. The error "LHS and RHS of an assignment 
statement have incompatible types" could be a compiler bug (see 
https://community.intel.com/t5/Intel-Fortran-Compiler/Segmentation-fault-due-to-assignment-of-derived-type-variable/td-p/1489823). 
The allocation error may also be a compiler bug as the respective array is 
always allocated and the routine is left directly after deallocating the 
array earlier in the routine.
Best,
Frederick

bartosz mazur schrieb am Dienstag, 8. Oktober 2024 um 13:17:08 UTC+2:

> Hi all, 
>
> I recently managed to compile cp2k on our cluster, but regtests showed 
> several errors. Most of the failures are due to the error `forrtl: severe 
> (189): LHS and RHS of an assignment statement have incompatible types` or `forrtl: 
> severe (153): allocatable array or pointer is not allocated`. After 
> looking at the output from `make` I noticed that there are quite a few 
> similar warnings there:
>
> ```
> /lustre/pd01/hpc-kuchta-1716987452/software/cp2k/exts/dbcsr/src/mpi/dbcsr_mpiwrap.F(1930): 
> warning #8100: The actual argument is an array section or assumed-shape 
> array, corresponding dummy argument that has either the VOLATILE or 
> ASYNCHRONOUS attribute shall be an assumed-shape array.   [MSGIN]
>          CALL mpi_isend(msgin, msglen, MPI_LOGICAL, dest, my_tag, &
> ------------------------^
> ```
>
> For compilation I used GCC 12.2.0 and intel 2022.2.1. My toolchain command 
> was `./install_cp2k_toolchain.sh --mpi-mode=intelmpi --with-intel 
> --with-gcc=system --with-plumed --with-quip --with-pexsi --with-ptscotch 
> --with-superlu --with-fftw=no --with-hdf5`. In the attachment I provide 
> all outputs from toolchain, make, and regtests. 
>
> I'm not sure what went wrong and how should I proceed so any help will be 
> much appreciated! 
>
> Best
> Bartosz
>

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