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 with Erik Lindahl, Biophysics Professor at Stockholm University & KTH Royal Institute of Technology, and Roland Schulz, Parallel Software Engineer at Intel. Andrey Alekseenko, Postdoctoral Fellow at KTH Royal Institute of Technology and SciLifeLab, shares his experiences porting GROMACS across hardware architectures. And our guests talk about Khronos SYCL’s rapid growth and vibrant, thriving community.

Guests:
Erik Lindahl, Biophysics Professor, Stockholm University & KTH Royal Institute of Technology
Andrey Alekseenko, Postdoctoral Fellow, KTH Royal Institute of Technology & SciLifeLab
Roland Schulz, Parallel Software Engineer, Intel

To learn more:
gromacs.org
gitlab.com/gromacs/gromacs
github.com/topics/sycl
github.com/intel/llvm
oneapi.com

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Tags: AI, Andrey Alekseenko, biophysics, C++, COVID, cross-architecture, CUDA, distributed computing, DPC++, electrostatic, Erik Lindahl, exascale, floating point operations, GROMACS, heterogeneous, HPC, KTH Royal Institute of Technology, ligno-cellulose, MD, molecular, molecular dynamics, molecular simulation, oneAPI, pandemic, parallel programming, parallelism, Roland Schulz, SciLifeLab, SIMD, Stockholm University, Supercomputing, SYCL
 
Posted in: Audio Podcast, Code Together, Intel