[CP2K-user] [CP2K:20368] Re: FFTW Wisdom File Error
Santiago Movilla
santiago.movilla at irbbarcelona.org
Thu Jun 20 16:07:40 UTC 2024
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
>>>>>>
>>>>>>
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#!/usr/bin/bash
fftw-wisdom --verbose --canonical --no-system-wisdom --estimate --threads=2 -o wisdom-linux-rocky8-skylake_avx512_2threads.dat \
cif4 rif4 cib4 rib4 \
cof4 rof4 cob4 rob4 \
cif4x4 rif4x4 cib4x4 rib4x4 \
cof4x4 rof4x4 cob4x4 rob4x4 \
cif4x4x4 rif4x4x4 cib4x4x4 rib4x4x4 \
cof4x4x4 rof4x4x4 cob4x4x4 rob4x4x4 \
cif6 rif6 cib6 rib6 \
cof6 rof6 cob6 rob6 \
cif6x6 rif6x6 cib6x6 rib6x6 \
cof6x6 rof6x6 cob6x6 rob6x6 \
cif6x6x6 rif6x6x6 cib6x6x6 rib6x6x6 \
cof6x6x6 rof6x6x6 cob6x6x6 rob6x6x6 \
cif8 rif8 cib8 rib8 \
cof8 rof8 cob8 rob8 \
cif8x8 rif8x8 cib8x8 rib8x8 \
cof8x8 rof8x8 cob8x8 rob8x8 \
cif8x8x8 rif8x8x8 cib8x8x8 rib8x8x8 \
cof8x8x8 rof8x8x8 cob8x8x8 rob8x8x8 \
cif10 rif10 cib10 rib10 \
cof10 rof10 cob10 rob10 \
cif10x10 rif10x10 cib10x10 rib10x10 \
cof10x10 rof10x10 cob10x10 rob10x10 \
cif10x10x10 rif10x10x10 cib10x10x10 rib10x10x10 \
cof10x10x10 rof10x10x10 cob10x10x10 rob10x10x10 \
cif12 rif12 cib12 rib12 \
cof12 rof12 cob12 rob12 \
cif12x12 rif12x12 cib12x12 rib12x12 \
cof12x12 rof12x12 cob12x12 rob12x12 \
cif12x12x12 rif12x12x12 cib12x12x12 rib12x12x12 \
cof12x12x12 rof12x12x12 cob12x12x12 rob12x12x12 \
cif16 rif16 cib16 rib16 \
cof16 rof16 cob16 rob16 \
cif16x16 rif16x16 cib16x16 rib16x16 \
cof16x16 rof16x16 cob16x16 rob16x16 \
cif16x16x16 rif16x16x16 cib16x16x16 rib16x16x16 \
cof16x16x16 rof16x16x16 cob16x16x16 rob16x16x16 \
cif18 rif18 cib18 rib18 \
cof18 rof18 cob18 rob18 \
cif18x18 rif18x18 cib18x18 rib18x18 \
cof18x18 rof18x18 cob18x18 rob18x18 \
cif18x18x18 rif18x18x18 cib18x18x18 rib18x18x18 \
cof18x18x18 rof18x18x18 cob18x18x18 rob18x18x18 \
cif20 rif20 cib20 rib20 \
cof20 rof20 cob20 rob20 \
cif20x20 rif20x20 cib20x20 rib20x20 \
cof20x20 rof20x20 cob20x20 rob20x20 \
cif20x20x20 rif20x20x20 cib20x20x20 rib20x20x20 \
cof20x20x20 rof20x20x20 cob20x20x20 rob20x20x20 \
cif24 rif24 cib24 rib24 \
cof24 rof24 cob24 rob24 \
cif24x24 rif24x24 cib24x24 rib24x24 \
cof24x24 rof24x24 cob24x24 rob24x24 \
cif24x24x24 rif24x24x24 cib24x24x24 rib24x24x24 \
cof24x24x24 rof24x24x24 cob24x24x24 rob24x24x24 \
cif30 rif30 cib30 rib30 \
cof30 rof30 cob30 rob30 \
cif30x30 rif30x30 cib30x30 rib30x30 \
cof30x30 rof30x30 cob30x30 rob30x30 \
cif30x30x30 rif30x30x30 cib30x30x30 rib30x30x30 \
cof30x30x30 rof30x30x30 cob30x30x30 rob30x30x30 \
cif32 rif32 cib32 rib32 \
cof32 rof32 cob32 rob32 \
cif32x32 rif32x32 cib32x32 rib32x32 \
cof32x32 rof32x32 cob32x32 rob32x32 \
cif32x32x32 rif32x32x32 cib32x32x32 rib32x32x32 \
cof32x32x32 rof32x32x32 cob32x32x32 rob32x32x32 \
cif36 rif36 cib36 rib36 \
cof36 rof36 cob36 rob36 \
cif36x36 rif36x36 cib36x36 rib36x36 \
cof36x36 rof36x36 cob36x36 rob36x36 \
cif36x36x36 rif36x36x36 cib36x36x36 rib36x36x36 \
cof36x36x36 rof36x36x36 cob36x36x36 rob36x36x36 \
cif40 rif40 cib40 rib40 \
cof40 rof40 cob40 rob40 \
cif40x40 rif40x40 cib40x40 rib40x40 \
cof40x40 rof40x40 cob40x40 rob40x40 \
cif40x40x40 rif40x40x40 cib40x40x40 rib40x40x40 \
cof40x40x40 rof40x40x40 cob40x40x40 rob40x40x40 \
cif48 rif48 cib48 rib48 \
cof48 rof48 cob48 rob48 \
cif48x48 rif48x48 cib48x48 rib48x48 \
cof48x48 rof48x48 cob48x48 rob48x48 \
cif48x48x48 rif48x48x48 cib48x48x48 rib48x48x48 \
cof48x48x48 rof48x48x48 cob48x48x48 rob48x48x48 \
cif50 rif50 cib50 rib50 \
cof50 rof50 cob50 rob50 \
cif50x50 rif50x50 cib50x50 rib50x50 \
cof50x50 rof50x50 cob50x50 rob50x50 \
cif50x50x50 rif50x50x50 cib50x50x50 rib50x50x50 \
cof50x50x50 rof50x50x50 cob50x50x50 rob50x50x50 \
cif60 rif60 cib60 rib60 \
cof60 rof60 cob60 rob60 \
cif60x60 rif60x60 cib60x60 rib60x60 \
cof60x60 rof60x60 cob60x60 rob60x60 \
cif60x60x60 rif60x60x60 cib60x60x60 rib60x60x60 \
cof60x60x60 rof60x60x60 cob60x60x60 rob60x60x60 \
cif64 rif64 cib64 rib64 \
cof64 rof64 cob64 rob64 \
cif64x64 rif64x64 cib64x64 rib64x64 \
cof64x64 rof64x64 cob64x64 rob64x64 \
cif64x64x64 rif64x64x64 cib64x64x64 rib64x64x64 \
cof64x64x64 rof64x64x64 cob64x64x64 rob64x64x64 \
cif70 rif70 cib70 rib70 \
cof70 rof70 cob70 rob70 \
cif70x70 rif70x70 cib70x70 rib70x70 \
cof70x70 rof70x70 cob70x70 rob70x70 \
cif70x70x70 rif70x70x70 cib70x70x70 rib70x70x70 \
cof70x70x70 rof70x70x70 cob70x70x70 rob70x70x70 \
cif72 rif72 cib72 rib72 \
cof72 rof72 cob72 rob72 \
cif72x72 rif72x72 cib72x72 rib72x72 \
cof72x72 rof72x72 cob72x72 rob72x72 \
cif72x72x72 rif72x72x72 cib72x72x72 rib72x72x72 \
cof72x72x72 rof72x72x72 cob72x72x72 rob72x72x72 \
cif84 rif84 cib84 rib84 \
cof84 rof84 cob84 rob84 \
cif84x84 rif84x84 cib84x84 rib84x84 \
cof84x84 rof84x84 cob84x84 rob84x84 \
cif84x84x84 rif84x84x84 cib84x84x84 rib84x84x84 \
cof84x84x84 rof84x84x84 cob84x84x84 rob84x84x84 \
cif90 rif90 cib90 rib90 \
cof90 rof90 cob90 rob90 \
cif90x90 rif90x90 cib90x90 rib90x90 \
cof90x90 rof90x90 cob90x90 rob90x90 \
cif90x90x90 rif90x90x90 cib90x90x90 rib90x90x90 \
cof90x90x90 rof90x90x90 cob90x90x90 rob90x90x90 \
cif96 rif96 cib96 rib96 \
cof96 rof96 cob96 rob96 \
cif96x96 rif96x96 cib96x96 rib96x96 \
cof96x96 rof96x96 cob96x96 rob96x96 \
cif96x96x96 rif96x96x96 cib96x96x96 rib96x96x96 \
cof96x96x96 rof96x96x96 cob96x96x96 rob96x96x96 \
cif100 rif100 cib100 rib100 \
cof100 rof100 cob100 rob100 \
cif100x100 rif100x100 cib100x100 rib100x100 \
cof100x100 rof100x100 cob100x100 rob100x100 \
cif100x100x100 rif100x100x100 cib100x100x100 rib100x100x100 \
cof100x100x100 rof100x100x100 cob100x100x100 rob100x100x100 \
cif108 rif108 cib108 rib108 \
cof108 rof108 cob108 rob108 \
cif108x108 rif108x108 cib108x108 rib108x108 \
cof108x108 rof108x108 cob108x108 rob108x108 \
cif108x108x108 rif108x108x108 cib108x108x108 rib108x108x108 \
cof108x108x108 rof108x108x108 cob108x108x108 rob108x108x108 \
cif120 rif120 cib120 rib120 \
cof120 rof120 cob120 rob120 \
cif120x120 rif120x120 cib120x120 rib120x120 \
cof120x120 rof120x120 cob120x120 rob120x120 \
cif120x120x120 rif120x120x120 cib120x120x120 rib120x120x120 \
cof120x120x120 rof120x120x120 cob120x120x120 rob120x120x120 \
cif128 rif128 cib128 rib128 \
cof128 rof128 cob128 rob128 \
cif128x128 rif128x128 cib128x128 rib128x128 \
cof128x128 rof128x128 cob128x128 rob128x128 \
cif128x128x128 rif128x128x128 cib128x128x128 rib128x128x128 \
cof128x128x128 rof128x128x128 cob128x128x128 rob128x128x128 \
cif144 rif144 cib144 rib144 \
cof144 rof144 cob144 rob144 \
cif144x144 rif144x144 cib144x144 rib144x144 \
cof144x144 rof144x144 cob144x144 rob144x144 \
cif144x144x144 rif144x144x144 cib144x144x144 rib144x144x144 \
cof144x144x144 rof144x144x144 cob144x144x144 rob144x144x144 \
cif160 rif160 cib160 rib160 \
cof160 rof160 cob160 rob160 \
cif160x160 rif160x160 cib160x160 rib160x160 \
cof160x160 rof160x160 cob160x160 rob160x160 \
cif160x160x160 rif160x160x160 cib160x160x160 rib160x160x160 \
cof160x160x160 rof160x160x160 cob160x160x160 rob160x160x160 \
cif168 rif168 cib168 rib168 \
cof168 rof168 cob168 rob168 \
cif168x168 rif168x168 cib168x168 rib168x168 \
cof168x168 rof168x168 cob168x168 rob168x168 \
cif168x168x168 rif168x168x168 cib168x168x168 rib168x168x168 \
cof168x168x168 rof168x168x168 cob168x168x168 rob168x168x168 \
cif172 rif172 cib172 rib172 \
cof172 rof172 cob172 rob172 \
cif172x172 rif172x172 cib172x172 rib172x172 \
cof172x172 rof172x172 cob172x172 rob172x172 \
cif172x172x172 rif172x172x172 cib172x172x172 rib172x172x172 \
cof172x172x172 rof172x172x172 cob172x172x172 rob172x172x172 \
cif176 rif176 cib176 rib176 \
cof176 rof176 cob176 rob176 \
cif176x176 rif176x176 cib176x176 rib176x176 \
cof176x176 rof176x176 cob176x176 rob176x176 \
cif176x176x176 rif176x176x176 cib176x176x176 rib176x176x176 \
cof176x176x176 rof176x176x176 cob176x176x176 rob176x176x176 \
cif180 rif180 cib180 rib180 \
cof180 rof180 cob180 rob180 \
cif180x180 rif180x180 cib180x180 rib180x180 \
cof180x180 rof180x180 cob180x180 rob180x180 \
cif180x180x180 rif180x180x180 cib180x180x180 rib180x180x180 \
cof180x180x180 rof180x180x180 cob180x180x180 rob180x180x180 \
cif192 rif192 cib192 rib192 \
cof192 rof192 cob192 rob192 \
cif192x192 rif192x192 cib192x192 rib192x192 \
cof192x192 rof192x192 cob192x192 rob192x192 \
cif192x192x192 rif192x192x192 cib192x192x192 rib192x192x192 \
cof192x192x192 rof192x192x192 cob192x192x192 rob192x192x192 \
cif200 rif200 cib200 rib200 \
cof200 rof200 cob200 rob200 \
cif200x200 rif200x200 cib200x200 rib200x200 \
cof200x200 rof200x200 cob200x200 rob200x200 \
cif200x200x200 rif200x200x200 cib200x200x200 rib200x200x200 \
cof200x200x200 rof200x200x200 cob200x200x200 rob200x200x200 \
cif208 rif208 cib208 rib208 \
cof208 rof208 cob208 rob208 \
cif208x208 rif208x208 cib208x208 rib208x208 \
cof208x208 rof208x208 cob208x208 rob208x208 \
cif208x208x208 rif208x208x208 cib208x208x208 rib208x208x208 \
cof208x208x208 rof208x208x208 cob208x208x208 rob208x208x208 \
cif216 rif216 cib216 rib216 \
cof216 rof216 cob216 rob216 \
cif216x216 rif216x216 cib216x216 rib216x216 \
cof216x216 rof216x216 cob216x216 rob216x216 \
cif216x216x216 rif216x216x216 cib216x216x216 rib216x216x216 \
cof216x216x216 rof216x216x216 cob216x216x216 rob216x216x216 \
cif224 rif224 cib224 rib224 \
cof224 rof224 cob224 rob224 \
cif224x224 rif224x224 cib224x224 rib224x224 \
cof224x224 rof224x224 cob224x224 rob224x224 \
cif224x224x224 rif224x224x224 cib224x224x224 rib224x224x224 \
cof224x224x224 rof224x224x224 cob224x224x224 rob224x224x224 \
cif240 rif240 cib240 rib240 \
cof240 rof240 cob240 rob240 \
cif240x240 rif240x240 cib240x240 rib240x240 \
cof240x240 rof240x240 cob240x240 rob240x240 \
cif240x240x240 rif240x240x240 cib240x240x240 rib240x240x240 \
cof240x240x240 rof240x240x240 cob240x240x240 rob240x240x240 \
cif252 rif252 cib252 rib252 \
cof252 rof252 cob252 rob252 \
cif252x252 rif252x252 cib252x252 rib252x252 \
cof252x252 rof252x252 cob252x252 rob252x252 \
cif252x252x252 rif252x252x252 cib252x252x252 rib252x252x252 \
cof252x252x252 rof252x252x252 cob252x252x252 rob252x252x252 \
cif256 rif256 cib256 rib256 \
cof256 rof256 cob256 rob256 \
cif256x256 rif256x256 cib256x256 rib256x256 \
cof256x256 rof256x256 cob256x256 rob256x256 \
cif256x256x256 rif256x256x256 cib256x256x256 rib256x256x256 \
cof256x256x256 rof256x256x256 cob256x256x256 rob256x256x256 \
cif300 rif300 cib300 rib300 \
cof300 rof300 cob300 rob300 \
cif300x300 rif300x300 cib300x300 rib300x300 \
cof300x300 rof300x300 cob300x300 rob300x300 \
cif300x300x300 rif300x300x300 cib300x300x300 rib300x300x300 \
cof300x300x300 rof300x300x300 cob300x300x300 rob300x300x300 \
cif400 rif400 cib400 rib400 \
cof400 rof400 cob400 rob400 \
cif400x400 rif400x400 cib400x400 rib400x400 \
cof400x400 rof400x400 cob400x400 rob400x400 \
cif400x400x400 rif400x400x400 cib400x400x400 rib400x400x400 \
cof400x400x400 rof400x400x400 cob400x400x400 rob400x400x400 \
cif500 rif500 cib500 rib500 \
cof500 rof500 cob500 rob500 \
cif500x500 rif500x500 cib500x500 rib500x500 \
cof500x500 rof500x500 cob500x500 rob500x500 \
cif500x500x500 rif500x500x500 cib500x500x500 rib500x500x500 \
cof500x500x500 rof500x500x500 cob500x500x500 rob500x500x500 \
cif512 rif512 cib512 rib512 \
cof512 rof512 cob512 rob512 \
cif512x512 rif512x512 cib512x512 rib512x512 \
cof512x512 rof512x512 cob512x512 rob512x512 \
cif512x512x512 rif512x512x512 cib512x512x512 rib512x512x512 \
cof512x512x512 rof512x512x512 cob512x512x512 rob512x512x512 \
cif600 rif600 cib600 rib600 \
cof600 rof600 cob600 rob600 \
cif600x600 rif600x600 cib600x600 rib600x600 \
cof600x600 rof600x600 cob600x600 rob600x600 \
cif600x600x600 rif600x600x600 cib600x600x600 rib600x600x600 \
cof600x600x600 rof600x600x600 cob600x600x600 rob600x600x600 \
cif700 rif700 cib700 rib700 \
cof700 rof700 cob700 rob700 \
cif700x700 rif700x700 cib700x700 rib700x700 \
cof700x700 rof700x700 cob700x700 rob700x700 \
cif700x700x700 rif700x700x700 cib700x700x700 rib700x700x700 \
cof700x700x700 rof700x700x700 cob700x700x700 rob700x700x700 \
cif800 rif800 cib800 rib800 \
cof800 rof800 cob800 rob800 \
cif800x800 rif800x800 cib800x800 rib800x800 \
cof800x800 rof800x800 cob800x800 rob800x800 \
cif800x800x800 rif800x800x800 cib800x800x800 rib800x800x800 \
cof800x800x800 rof800x800x800 cob800x800x800 rob800x800x800 \
cif900 rif900 cib900 rib900 \
cof900 rof900 cob900 rob900 \
cif900x900 rif900x900 cib900x900 rib900x900 \
cof900x900 rof900x900 cob900x900 rob900x900 \
cif900x900x900 rif900x900x900 cib900x900x900 rib900x900x900 \
cof900x900x900 rof900x900x900 cob900x900x900 rob900x900x900 \
cif1024 rif1024 cib1024 rib1024 \
cof1024 rof1024 cob1024 rob1024 \
cif1024x1024 rif1024x1024 cib1024x1024 rib1024x1024 \
cof1024x1024 rof1024x1024 cob1024x1024 rob1024x1024 \
cif1024x1024x1024 rif1024x1024x1024 cib1024x1024x1024 rib1024x1024x1024 \
cof1024x1024x1024 rof1024x1024x1024 cob1024x1024x1024 rob1024x1024x1024
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