Comparing the Performance of SYCL Runtimes for Molecular Dynamics Applications
Andrey Evgen'evich Alekseenko, Szilárd Páll · International Workshop on OpenCL · 2023
SYCL is a cross-platform, royalty-free standard for programming a wide range of hardware accelerators. It is a powerful and convenient way to write standard C++ 17 code that can take full advantage of available devices. There are already multiple SYCL implementations targeting a wide range of platforms, from embedded to HPC clusters. Since several implementations can target the same hardware, application developers and users must know how to choose the most fitting runtime for their needs. In this talk, we will compare the runtime performance of two major SYCL runtimes targeting GPUs, oneAPI DPC++ and Open SYCL [3], to the native implementations for the purposes of GROMACS, a high-performance molecular dynamics engine.