Erik Lindahl, biophysics professor leading GROMACS research and its transition to oneAPI shares the value of the open standards-based, cross-architecture, cross-vendor programming model. GROMACS, a molecular dynamics package designed for simulations of proteins, lipids, and nucleic acids used to design new drugs, is optimized using oneAPI together with SYCL to ensure it can parallelize better and utilize the power of multiple types of architectures. GROMACS is “an amazing molecular microscope and a very advanced tool… where maybe 4% or 5% of all the supercomputing time in the world that is spent on GROMACS,” says Lindahl. He adds, “So the part of oneAPI that is most important to me and my team is of course that it’s an open standard. We are firm believers in open standards.. because that means that we can rely on it no matter what the vendors do.”

Learn more – oneapi.io  

Download components of the oneAPI specification – oneapi.io/spec/

Hear the latest the following SYCL experts: Peter Steffen will cover DPC++ for NVIDIA GPUs and ComputeCpp; Ronan Keryell from Xilinx will speak on Khronos SYCL SPEC; Igor Vorobstov from Intel will cover DPC++ and Aksel Alpay from the University of Heidelberg will discuss hipSYCL.

Download Peter Steffen, SYCL Vendor Update 2 Presentation

Download Ronan Keryell, SYCL Vendor Update Presentation

Download Igor Vorobtsov, SYCL Vendor Update Presentation

Download Aksel Alpay, SYCL Vendor Update Presentation

oneAPI compilers, programming tools, and performance libraries enable application development across XPUs free of the economic and technical challenges of heterogeneous parallelism. The Intel® DevCloud for oneAPI provides a sandbox to develop cross-architecture applications using the Intel® oneAPI Toolkits and Intel CPUs, GPUs, and FPGAs. DevCloud access is free for 120 days with extensions possible for ongoing development projects. The hardware and software environments are kept up to date so there is no administrative overhead for users. oneAPI applications can be run interactively, in batch mode, or in Jupyter* notebooks. Come learn more about getting access and using the Intel DevCloud for oneAPI.

Download Presentation Deck