Thumbnail

GROMACS as the widely-used molecular dynamics software issued its stable v2023 release this week with improved GPU support via SYCL. Most significant to the GROMACS 2023 feature release is improving its SYCL implementation that provides production-rated support not only for Intel Arc Graphics but also AMD Radeon graphics with ROCm + hipSYCL. There is also non-production-rated NVIDIA SYCL support as an alternative to GROMACS' CUDA support.