[CP2K-user] [CP2K:20369] Re: FFTW Wisdom File Error

[Frederick Stein]

Dear Santiago,
That is interesting. I used "./fftw-wisdom -v -c -o wisdom", i.e. I 
optimized in patient mode (default). I do not know the internals of FFTW3 
too well. Unfortunately, they do not provide any hint what the actual issue 
is.
According to your CP2K output, you are using the latest release (2024.1), 
not the development version? If you use an official release, is it possible 
for you to pull and compile the current master trunk of the CP2K Github 
repository? This one has the fix (which will hopefully work for you). Your 
version is too old for sure.
Best,
Frederick

Santiago Movilla schrieb am Donnerstag, 20. Juni 2024 um 18:07:41 UTC+2:

> Dear Frederick, 
>
> I have tried to do it now. I got the same error again (Error importing 
> wisdom from file...) I attach the file by which I create the wisdom file 
> (using fftw-wisdom), in case there is any irregularity in this one. I also 
> attach the CP2K output in case in the technical details printed by the 
> program, at the beginning of the execution, you can detect any error in the 
> installation.
>
> I don't know why it works for you and not for me. 
>
> Best, 
>
> Santiago Movilla
>
> On Thursday, June 20, 2024 at 5:49:29 PM UTC+2 Frederick Stein wrote:
>
>> Dear Santiago,
>> If you have compiled CP2K yourself, can you recompile with the current 
>> master trunk and run CP2K with a wisdom file optimized from the script 
>> fftw-wisdom (delivered with FFTW3). With my bugfix, I was not able to run 
>> CP2K with a wisdom file optimized from a CP2K run but with an 
>> FFTW-optimized one (I have no idea why).
>> Best,
>> Frederick
>>
>> Santiago Movilla schrieb am Donnerstag, 20. Juni 2024 um 17:43:39 UTC+2:
>>
>>> Dear Frederick, 
>>> I would like to express my gratitude for all the assistance provided.
>>> I have conducted two trials with FFTW3 and FFTSG, and I have attached 
>>> the timings report. It appears that FFTSG results in superior performance. 
>>> I have not yet tested with the wisdom file, as I have not yet generated 
>>> it for the estimate plan type.
>>>
>>> Best, 
>>>
>>> Santiago Movilla
>>>
>>> On Thursday, June 20, 2024 at 4:40:51 PM UTC+2 Frederick Stein wrote:
>>>
>>>> I will push a bugfix. Now, I can get it running, if a wisdom file 
>>>> created from fftw-wisdom is used, but not if it was created during a CP2K 
>>>> run (better than nothing).
>>>> Can you provide the timing report (last part of the output file) to 
>>>> check the performance of your setup?
>>>>
>>>> Santiago Movilla schrieb am Donnerstag, 20. Juni 2024 um 16:32:57 UTC+2:
>>>>
>>>>> Sure!, I did. 
>>>>>
>>>>> Without this line the calculation works perfectly. It finishes without 
>>>>> error. The problem is when I want to read or write the wisdom file.
>>>>>
>>>>>
>>>>> On Thursday, June 20, 2024 at 4:24:39 PM UTC+2 Frederick Stein wrote:
>>>>>
>>>>>> Can you try it without the line with FFTW_WISDOM_FILE_NAME?
>>>>>>
>>>>>> Santiago Movilla schrieb am Donnerstag, 20. Juni 2024 um 16:22:54 
>>>>>> UTC+2:
>>>>>>
>>>>>>> Dear Frederick, 
>>>>>>> Thank you very much for the answers. Even using the default 
>>>>>>> (ESTIMATE) I still get the same errors. I have decided to attach the input 
>>>>>>> of my calculation in case you can find any other error that may be related 
>>>>>>> or, taking advantage of your expertise, if you can suggest any other kind 
>>>>>>> of change that may speed up the calculation time. 
>>>>>>> Best,
>>>>>>> Santiago Movilla
>>>>>>>
>>>>>>>

-- 
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/54c18768-2d42-410e-8777-51c21ac189f0n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240620/a8ac5638/attachment.htm>