Intel® oneAPI Tools: Empowering GROMACS Cross-Architecture Development | Intel Software

604
14.4
Intel Software209 тыс
Опубликовано 5 января 2022, 1:43
The secret sauce to how GROMACS code can now easily target CPUs + multiple types of accelerators including GPUs - is through oneAPI cross-architecture programming and using advanced software tools. GROMACS is a molecular dynamics package designed for simulations of proteins, lipids, and nucleic acids used to design new drugs. Erik Lindahl, a biophysics professor at the University of Stockholm that works on GROMACS, explains how Intel® oneAPI Tools, such as compilers and libraries helped deliver outstanding performance (all are part of the Intel® oneAPI Base Toolkits). With the Intel® oneAPI HPC Toolkit, you get support for OpenMP which means that you can target multiple cores of CPU sufficiently, and cluster analysis tools that help determine how to improve managing workloads across multiple nodes. His team was able to migrate CUDA code to Data-Parallel C++ using the Intel® DPC Compatibility Tool to create new cross-architecture-ready code. View now to learn more.

Learn more & download Intel oneAPI Toolkits: intel.com/oneAPI-AllToolkits

Learn more about oneAPI: software.intel.com/oneapi

Advancing GROMACS Using oneAPI: Open Standards & Performance across Multi-Architectures: oneapi.io/videos/advancing-gro...

GROMACS adopt hipSYCL for future AMD GPU support: enccs.se/news/2021/09/gromacs-...

Experiences with adding SYCL support to GROMACS: oneapi.io/event-sessions/exper...

Intel® Developer Cloud: cloud.intel.com

About Intel Software:
The Intel® Developer Zone encourages and supports software developers that are developing applications for Intel hardware and software products. The Intel Software YouTube channel is a place to learn tips and tricks, get the latest news, watch product demos from both Intel, and our many partners across multiple fields. You'll find videos covering the topics listed below, and to learn more, you can follow the links provided!

Connect with Intel Software:
Visit INTEL SOFTWARE WEBSITE: intel.ly/2KeP1hD
Like INTEL SOFTWARE on FACEBOOK: bit.ly/2z8MPFF
Follow INTEL SOFTWARE on TWITTER: bit.ly/2zahGSn

INTEL SOFTWARE GITHUB: bit.ly/2zaih6z
INTEL DEVELOPER ZONE LINKEDIN: bit.ly/2z979qs
INTEL DEVELOPER ZONE INSTAGRAM: bit.ly/2z9Xsby
INTEL GAME DEV TWITCH: bit.ly/2BkNshu

#oneAPI #intelsoftware #developertools

Intel® oneAPI Tools: Empowering GROMACS Cross-Architecture Development | Intel Software
автотехномузыкадетское