gpu
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Status of GPU Support in CP2K
Library | Status | Accelerates | Backends |
---|---|---|---|
DBCSR | Ready | LS-SCF | CUDA |
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.1646485219.txt.gz · Last modified: 2022/03/05 13:00 by mtaillefumier