[CP2K-user] [CP2K:20786] Re: compilation problems - LHS and RHS of an assignment statement have incompatible types

[Frederick Stein]

Please pick one of the failing tests. Then, add the TRACE keyword to the 
&GLOBAL section and then run the test manually. This increases the size of 
the output file dramatically (to some million lines). Can you send me the 
last ~20 lines of the output?
bartosz mazur schrieb am Freitag, 18. Oktober 2024 um 17:09:40 UTC+2:

> I'm using do_regtests.py script, not make regtesting, but I assume it 
> makes no difference. As I mentioned in previous message for `--ompthreads 
> 1` all tests were passed both for ssmp and psmp. For ssmp with 
> `--ompthreads 2` I observe similar errors as for psmp with the same 
> setting, I provide example output as attachment. 
>
> Thanks
> Bartosz
>
> piątek, 18 października 2024 o 16:24:16 UTC+2 Frederick Stein napisał(a):
>
>> Dear Bartosz,
>> What happens if you set the number of OpenMP threads to 1 (add 
>> '--ompthreads 1' to TESTOPTS)? What errors do you observe in case of the 
>> ssmp?
>> Best,
>> Frederick
>>
>> bartosz mazur schrieb am Freitag, 18. Oktober 2024 um 15:37:43 UTC+2:
>>
>>> Hi Frederick,
>>>
>>> thanks again for help. So I have tested different simulation variants 
>>> and I know that the problem occurs when using OMP. For MPI calculations 
>>> without OMP all tests pass. I have also tested the effect of the `OMP_PROC_BIND` 
>>> and `OMP_PLACES` parameters and apart from the effect on simulation 
>>> time, they have no significant effect on the presence of errors. Below are 
>>> the results for ssmp:
>>>
>>> ```
>>> OMP_PROC_BIND, OMP_PLACES, correct, total, wrong, failed, time 
>>> spread, threads, 3850, 4144, 4, 290, 186min
>>> spread, cores, 3831, 4144, 3, 310, 183min
>>> spread, sockets, 3864, 4144, 3, 277, 104min
>>> close, threads, 3879, 4144, 3, 262, 171min
>>> close, cores, 3854, 4144, 0, 290, 168min
>>> close, sockets, 3865, 4144, 3, 276, 104min
>>> master, threads, 4121, 4144, 0, 23, 1002min
>>> master, cores, 4121, 4144, 0, 23, 986min
>>> master, sockets, 3942, 4144, 3, 199, 219min
>>> false, threads, 3918, 4144, 0, 226, 178min
>>> false, cores, 3919, 4144, 3, 222, 176min
>>> false, sockets, 3856, 4144, 4, 284, 104min
>>> ```
>>>
>>> and psmp:
>>>
>>> ```
>>> OMP_PROC_BIND, OMP_PLACES, results
>>> spread, threads, Summary: correct: 4097 / 4227; failed: 130; 495min
>>> spread, cores, 26 / 362
>>> spread, cores, 26 / 362
>>> close, threads, Summary: correct: 4133 / 4227; failed: 94; 484min
>>> close, cores, 60 / 362
>>> close, sockets, 13 / 362
>>> master, threads, 13 / 362
>>> master, cores, 79 / 362
>>> master, sockets, Summary: correct: 4153 / 4227; failed: 74; 563min
>>> false, threads, Summary: correct: 4153 / 4227; failed: 74; 556min
>>> false, cores, Summary: correct: 4106 / 4227; failed: 121; 511min
>>> false, sockets, 96 / 362
>>> not specified, not specified, Summary: correct: 4129 / 4227; failed: 98; 
>>> 263min
>>> ```
>>>
>>> Any ideas what I could do next to have more information about the source 
>>> of the problem or maybe you see a potential solution at this stage? I would 
>>> appreciate any further help. 
>>>
>>> Best
>>> Bartosz
>>>
>>>
>>> piątek, 11 października 2024 o 14:30:25 UTC+2 Frederick Stein napisał(a):
>>>
>>>> Dear Bartosz,
>>>> If I am not mistaken, you used 8 OpenMP threads. The test do not run 
>>>> that efficiently with such a large number of threads. 2 should be 
>>>> sufficient.
>>>> The test result suggests that most of the functionality may work but 
>>>> due to a missing backtrace (or similar information), it is hard to tell why 
>>>> they fail. You could also try to run some of the single-node tests to 
>>>> assess the stability of CP2K.
>>>> Best,
>>>> Frederick
>>>>
>>>> bartosz mazur schrieb am Freitag, 11. Oktober 2024 um 13:48:42 UTC+2:
>>>>
>>>>> Sorry, forgot attachments.
>>>>>
>>>>>

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