Can anyone suggest a DFT code implemented for mixed CPU/GPU processors?
You can see the quantum espresso. There is a version that use this mixed.
http://www.quantum-espresso.org/
You can also check Terachem, I hope this will solve your problem.
http://www.petachem.com/products.html
Abinit (pseudopotential plw code)
www.abinit.org
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