[Pw_forum] best/better gpu cards for using with QE

Reinaldo Pis Diez reinaldo.pisdiez at gmail.com
Thu Feb 15 19:37:13 CET 2018

Dear folks

I've managed to compile the gpu-version of QE gently provided by 
Filippo Spiga. However, the gpu card I've got (Titan X, Pascal 
architecture) has 11 gb of global memory so it goes easily out of 
memory when I try to simulate a medium system (say ~80 atoms) or at 
least these are the messages I obtain when running those jobs.

Thus, I've got two questions concerning the use of gpu cards with QE:

1) What gpu cards are you using for serious runs/research? How much 
global memory do they have? I've recently learnt that the Quatro 
P6000 model has about 24 GB of global memory but it costs about 5000 

2) Does it make sense to combine more than one gpu card on one 
mother board? That is, is global memory additive in such cases? 
Sorry if this question is non-sense, I'm a newbie in gpu stuff.

Thanks in advance. Regards

Reinaldo Pis Diez
Center of Inorganic Chemistry
Natl Univ of La Plata, Argentina

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