Port GROMACS Across Heterogeneous Architectures

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By

Andrey Alekseenko

Postdoctoral fellow, KTH Royal Institute of Technology & SciLifeLab

 Erik Lindahl

Biophysics professor, Stockholm University & KTH Royal Institute of Technology

 Roland Schulz

Parallel software engineer, Intel

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In this second episode about GROMACS, one of the world’s most widely used open-source molecular dynamics (MD) applications, we explore the quest to simplify portable, performant programming. Andrey Alekseenko shares his experiences porting GROMACS across hardware architectures. And our guests talk about the rapid growth of Khronos SYCL* and its vibrant, thriving community.

To Learn More

GROMACS Company

GROMACS on GitLab*

SYCL on GitHub*

LLVM on GitHub

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Product and Performance Information

1

Performance varies by use, configuration and other factors. Learn more at www.Intel.com/PerformanceIndex.