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gpu

Status of GPU Support in CP2K

Library Status Accelerates Backends NGC Container
DBCSR Ready LS-SCF CUDA, HIP, OpenCL Included
DBM Ready GW and RI methods CUDA, HIP -
grid Ready GPW CUDA, HIP Included
pw Ready SCCS CUDA, HIP Included
COSMA Ready RPA CUDA, HIP Included
SPLA Ready MP2 CUDA, HIP -
SIRIUS Ready PW DFT CUDA, HIP Included
ELPA Ready Diagonalization CUDA -
cuSOLVERMp Ready (experimental) Diagonalization CUDA -
DLA-Future Ready (experimental) Diagonalization CUDA -
SpFFT In progress GPW, SCCS CUDA, HIP -
Two-electron integrals In progress HFX - -
GEEP Planned QM/MM - -
libxc Planned GPW - -
One-electron integrals Planned GPW - -
gpu.txt · Last modified: 2024/01/04 17:22 by oschuett