====== Status of GPU Support in CP2K ======
^ Library                                                    ^ Status                    ^ Accelerates     ^ Backends          ^ [[https://catalog.ngc.nvidia.com/orgs/hpc/containers/cp2k | NGC Container]] ^
| [[https://github.com/cp2k/dbcsr|DBCSR]]                    | @green: **Ready**         | LS-SCF          | CUDA, HIP, OpenCL | Included  |
| [[https://github.com/cp2k/cp2k/tree/master/src/dbm|DBM]]   | @green: **Ready**         | GW and RI methods | CUDA, HIP       | -         |
| [[https://github.com/cp2k/cp2k/tree/master/src/grid|grid]] | @green: **Ready**         | GPW             | CUDA, HIP         | Included  |
| [[https://github.com/cp2k/cp2k/tree/master/src/pw|pw]]     | @green: **Ready**         | SCCS            | CUDA, HIP         | Included  |
| [[https://github.com/eth-cscs/COSMA|COSMA]]                | @green: **Ready**         | RPA             | CUDA, HIP         | Included  |
| [[https://github.com/eth-cscs/spla|SPLA]]                  | @green: **Ready**         | MP2             | CUDA, HIP         | -         |
| [[https://github.com/electronic-structure/SIRIUS|SIRIUS]]  | @green: **Ready**         | PW DFT          | CUDA, HIP         | Included  |
| [[https://elpa.mpcdf.mpg.de|ELPA]]                         | @green: **Ready** | Diagonalization | CUDA              | -         |
| [[https://docs.nvidia.com/hpc-sdk/cusolvermp|cuSOLVERMp]]  | @green: **Ready (experimental)** | Diagonalization | CUDA              | -         |
| [[https://github.com/eth-cscs/DLA-Future|DLA-Future]]      | @green: **Ready (experimental)** | Diagonalization | CUDA              | -         |
| [[https://github.com/eth-cscs/SpFFT|SpFFT]]                | @yellow: **In progress**  | GPW, SCCS       | CUDA, HIP         | -         |
| Two-electron integrals                                     | @yellow: **In progress**  | HFX             | -                 | -         |
| GEEP                                                       | Planned                   | QM/MM           | -                 | -         |
| libxc                                                      | Planned                   | GPW             | -                 | -         |
| One-electron integrals                                     | Planned                   | GPW             | -                 | -         |