[CP2K-user] [CP2K:20756] Re: compilation problems - LHS and RHS of an assignment statement have incompatible types

[bartosz mazur]

Hi Frederick, 

Thank you for your quick response! Just to be sure, if I compile the latest 
version of cp2k using Intel 2021 
(https://www.cp2k.org/dev:compiler_support), I should no longer have the 
problems described? I ask because I don't see a module with Intel OneAPI 
2024 on our HPC, so I am considering using either an older module or asking 
the admins to provide a newer one.
 
Best
Bartosz

wtorek, 8 października 2024 o 14:07:15 UTC+2 Frederick Stein napisał(a):

> 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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