User Tools

Site Tools


gpu

Status of GPU Support in CP2K

Library Status Accelerates Backends
DBCSR Ready LS-SCF CUDA, HIP, OpenCL
grid Ready GPW CUDA, HIP
pw Ready SCCS CUDA, HIP
COSMA Ready RPA CUDA, HIP
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
gpu.txt · Last modified: 2022/05/24 06:45 by hpabst