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GiovanniBussi avatar GiovanniBussi commented on August 26, 2024

Regarding the vector and tensor with generic type, I tried to do the same a few years ago and I remember that with intel compiler the performances were measurably affected (to my surprise). Maybe you can double check this. In case it's true, maybe we can duplicate the code. Otherwise I am also happy with a more general version, it would be useful in other parts of the code as well

from plumed2.

GiovanniBussi avatar GiovanniBussi commented on August 26, 2024

(I have to try to make everything run compiled with plain nvhpc
But since nvhpc does not like the kw auto for deducing return types (as used in tools/MergeVectorTools.h:54), it needs some massages to the plumed source and I did not want to touch src for this project)

If it's limited to this maybe we can adjust the code. It would be ideal if we could also install nvc++ on one job in GitHub actions to test for this

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Iximiel avatar Iximiel commented on August 26, 2024

Regarding the vector and tensor with generic type, I tried to do the same a few years ago and I remember that with intel compiler the performances were measurably affected (to my surprise). Maybe you can double check this. In case it's true, maybe we can duplicate the code. Otherwise I am also happy with a more general version, it would be useful in other parts of the code as well

Ok, so I set up the PR as a wip, then I will produce some benchmarks

If it's limited to this maybe we can adjust the code. It would be ideal if we could also install nvc++ on one job in GitHub actions to test for this

I'm trying to do it in #1076

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