diff --git a/README.md b/README.md index 5695f44884356ca95653057c31002b83c7055452..7ab4af54dce5746cb33ae3fd439c1e2bb7445d6d 100644 --- a/README.md +++ b/README.md @@ -102,16 +102,32 @@ The application codes that constitute the UEABS are: <td></td> </tr> <tr> - <td>GPAW</td> + <td>GPAW + <ul> + <li><a href="https://wiki.fysik.dtu.dk/gpaw/">website</a></li> + <li><a href="https://gitlab.com/gpaw/gpaw">GPAW GitLab</a></li> + <li><a href="https://gitlab.com/mlouhivu/gpaw/tree/cuda">GPAW GPU development (cuda branch)</a></li> + </ul> + </td> <td>132,000</td> <td>X</td> <td></td> - <td>X</td> + <td>(X)</td> <td></td> <td>X</td> <td>X</td> <td></td> - <td></td> + <td> + GPAW is a density-functional theory (DFT) + program for ab initio electronic structure calculations using the projector + augmented wave method. It uses a uniform real-space grid representation of the + electronic wavefunctions that allows for excellent computational scalability + and systematic converge properties. + The GPAW benchmark tests MPI parallelization and the quality of the provided mathematical + libraries, including BLAS, LAPACK, ScaLAPACK, and FFTW-compatible library. There is + also an experimental CUDA-based implementation for GPU systems, but it is not covered + by this UEABS release. + </td> </tr> <tr> <td>GROMACS</td>