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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	-
ELPA	Ready (kinda)	Diagonalization	CUDA	-
Alternative eigensolver	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	-	-