[CP2K-user] [CP2K:20785] Re: compilation problems - LHS and RHS of an assignment statement have incompatible types

[bartosz mazur]

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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