Port GROMACS Across Heterogeneous Architectures

Published: 03/08/2021  

Last Updated: 03/08/2021


Subscribe Now

Stay in the know on all things CODE. Updates are delivered to your inbox.

Sign Up


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

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 on GitLab*

SYCL on GitHub*

LLVM on GitHub


Download Audio   Download Transcript


Product and Performance Information


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