"The motto of GROMACS is 'Fast, Flexible, Free'—values that align with those of the SYCL* standard. Starting in 2020, GROMACS began to utilize SYCL as a performance-portability back end, leveraging select features of SYCL 2020 even before its official standardization. Compared to its predecessor, SYCL 1.2, the SYCL 2020 standard introduces several new features that are instrumental in enhancing both application performance and developer productivity. The achievement of Intel® oneAPI DPC++/C++ Compiler in attaining certification as the first fully conformant SYCL 2020 toolchain marks a significant milestone for the widespread adoption of open standards in heterogeneous parallelization within high-performance computing."
– Andrey Alekseenko, lead researcher, KTH Royal Institute of Technology