[CP2K-user] [CP2K:20759] Re: compilation problems - LHS and RHS of an assignment statement have incompatible types

[Frederick Stein]

Hi Bartosz,
No, Intel 2021 will be probably not work, it is older than Intel 2022. I 
meant something like Intel OneAPI 2023 or 2024.
Best,
Frederick

bartosz mazur schrieb am Dienstag, 8. Oktober 2024 um 14:43:19 UTC+2:

> 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
>>>
>>

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/f73fa281-30c2-445e-b0c1-3278a7b82f41n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20241008/59e5aee8/attachment-0001.htm>