Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely:  analyse gather-scatter performance bottlenecks in molecular dynamics codes and the challenges that they pose for obtaining benefits from SIMD execution. This analysis informs a number of novel code-level and algorithmic improvements to Sandia's miniMD benchmark, which  demonstrate using three SIMD widths (128-, 256and 512bit). The applicability of these optimisations to wider SIMD is discussed, and  show that the conventional approach of exposing more parallelism through redundant computation is not necessarily best. In single precision, our optimised implementation is up to 5x faster than the original scalar code running on Intel®Xeon®processors with 256-bit SIMD, and adding a single Intel®Xeon Phi™coprocessor provides up to an additional 2x performance increase. These results demonstrate: (i) the importance of effective SIMD utilisation for molecular dynamics codes on current and future hardware; and (ii) the considerable performance increase afforded by the use of Intel®Xeon Phi™coprocessors for highly parallel workloads.
['Simon J. Pennycook', 'Christopher J. Hughes', 'Mikhail Smelyanskiy', 'Stephen A. Jarvis']
I am writing a research paper on a idea Exploring SIMD for Molecular Dynamics, Using Intel® Xeon® Processors and Intel® Xeon Phi Coprocessors
[{"from": "human", "value": "I am writing a research paper on a idea Exploring SIMD for Molecular Dynamics, Using Intel\u00ae Xeon\u00ae Processors and Intel\u00ae Xeon Phi Coprocessors"}, {"from": "gpt", "value": "Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely:  analyse gather-scatter performance bottlenecks in molecular dynamics codes and the challenges that they pose for obtaining benefits from SIMD execution. This analysis informs a number of novel code-level and algorithmic improvements to Sandia's miniMD benchmark, which  demonstrate using three SIMD widths (128-, 256and 512bit). The applicability of these optimisations to wider SIMD is discussed, and  show that the conventional approach of exposing more parallelism through redundant computation is not necessarily best. In single precision, our optimised implementation is up to 5x faster than the original scalar code running on Intel\u00aeXeon\u00aeprocessors with 256-bit SIMD, and adding a single Intel\u00aeXeon Phi\u2122coprocessor provides up to an additional 2x performance increase. These results demonstrate: (i) the importance of effective SIMD utilisation for molecular dynamics codes on current and future hardware; and (ii) the considerable performance increase afforded by the use of Intel\u00aeXeon Phi\u2122coprocessors for highly parallel workloads."}]