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Status of GPU Support in CP2K

Library	Status	Accelerates	Backends	NGC Container
DBCSR	Ready	LS-SCF	CUDA, HIP, OpenCL	Included
grid	Ready	GPW	CUDA, HIP	Included
pw	Ready	SCCS	CUDA, HIP	Included
COSMA	Ready	RPA	CUDA, HIP	Included
SIRIUS	Ready	PW DFT	CUDA, HIP	Included
ELPA	Ready (kinda)	Diagonalization	CUDA	-
DLA-Future	In progress	Diagonalization	CUDA	-
SpFFT	In progress	GPW, SCCS	CUDA, HIP	-
DBM	In progress	RI methods	CUDA, HIP	-
SPLA	In progress	MP2	CUDA, HIP	-
Two-electron integrals	In progress	HFX	-	-
GEEP	Planned	QM/MM	-	-
libxc	Planned	GPW	-	-
One-electron integrals	Planned	GPW	-	-