gpu
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GPU Support in CP2K
Library | Status | Accelerates |
---|---|---|
DBCSR | Ready | LS-SCF |
grid | Ready | GPW |
COSMA | Ready | RPA |
SIRIUS | Ready | PW DFT |
ELPA | Ready (kinda) | Diagnonalization |
Alternative eigensolver | In progress | Diagnonalization |
SpFFT | In progress | GPW, SCCS |
DBM | In progress | RI methods |
SPLA | In progress | MP2 |
Two-electron integrals | In progress | HFX |
GEEP | Planned | QM/MM |
libxc | Planned | GPW |
One-electron integrals | Planned | GPW |
gpu.1646310229.txt.gz · Last modified: 2022/03/03 12:23 by oschuett