Experiences Porting NAMD to the Data Parallel C++ Programming Model

HPC applications have a growing need to leverage heterogeneous computing resources with a vendor-neutral programming paradigm. Data Parallel C++ is a programming language based on open standards SYCL, providing a vendor-neutral solution. We describe our experiences porting the NAMD molecular dynamic...

Full description

Saved in:
Bibliographic Details
Published in:International Workshop on OpenCL Vol. 2022
Main Authors: Hardy, David J, Choi, Jaemin, Jiang, Wei, Tajkhorshid, Emad
Format: Journal Article
Language:English
Published: United States 01.05.2022
Subjects:
SYCL
Molecular Dynamics
oneAPI
DPC++
NAMD
Online Access:Get more information
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:HPC applications have a growing need to leverage heterogeneous computing resources with a vendor-neutral programming paradigm. Data Parallel C++ is a programming language based on open standards SYCL, providing a vendor-neutral solution. We describe our experiences porting the NAMD molecular dynamics application with its GPU-offload force kernels to SYCL/DPC++. Results are shown that demonstrate correctness of the porting effort.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
DOI:10.1145/3529538.3529560