[CP2K-user] [CP2K:20782] Re: compilation problems - LHS and RHS of an assignment statement have incompatible types

[Frederick Stein]

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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