Enabling NAMD for Intel Xe

NAMD is a prominent parallel molecular dynamics application designed for high performance computing of large biomolecular systems. This session focuses on the development of NAMD for Intel GPUs using oneAPI/DPC++ by porting the efficient NAMD CUDA implementation and improving it with flexible vectorization for portable performance. We will also discuss the implementation in NAMD of relative debugging techniques across architectures and programming languages.


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The oneAPI Specification joins the UXL Foundation. For more info:

Press Release