gpu
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Status of 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.1646310617.txt.gz · Last modified: by oschuett