====== 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://github.com/eth-cscs/DLA-Future|DLA-Future]]      | @green: **Ready**                | Diagonalization   | CUDA, HIP         | -         |
| [[https://docs.nvidia.com/hpc-sdk/cusolvermp|cuSOLVERMp]]  | @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               | -                 | -         |