[CP2K-user] Standard diagonalization with GPU

[Omar Abou El Kheir]

Hi All, 
I have started to use CP2k with GPUs recently. I have observed an important 
speed up with the OT diagonalization. However, when I use the standard 
diagonalization I observe a slowdown. Just to give you some numbers with 
one step of the wavefunction with OT takes on average 0.7 s while with the 
standard diagonalization it takes around 32 s (with the same system).
I was wondering whether this was an installation issue or it is just that 
standard diagonalization does not benefit the GPUS. 

Thanks in advance and best regareds, 
Omar 
--
Doctoral student Omar Abou El Kheir
Department of Materials Science
Universita' degli Studi di Milano - Bicocca
Via R. Cozzi 55, Milano, *Italy*

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