Parallel tight-binding molecular dynamics simulations on symmetric multi-processing platforms

Luciano Colombo; Mario Rosati

首页> 外文期刊>Computer physics communications >Parallel tight-binding molecular dynamics simulations on symmetric multi-processing platforms

【24h】

Parallel tight-binding molecular dynamics simulations on symmetric multi-processing platforms

机译：对称多处理平台上的平行紧密结合分子动力学模拟

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

We introduce the tight-binding molecular dynamics formalism and describe its numerical implementation on superscalar workstations. We discuss and benchmark a parallelization strategy based on the symmetric multi-processing paradigm.

机译：我们介绍了紧密结合的分子动力学形式主义，并描述了其在超标量工作站上的数值实现。我们讨论和基准化基于对称多处理范例的并行化策略。

著录项

来源
《Computer physics communications》 |2000年第2期|共10页
作者
Luciano Colombo; Mario Rosati;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类计算机的应用;
关键词

相似文献

外文文献
中文文献
专利

1. Parallel tight-binding molecular dynamics simulations on symmetric multi-processing platforms [J] . Luciano Colombo, Mario Rosati Computer physics communications . 2000,第1a2期

机译：对称多处理平台上的平行紧密结合分子动力学模拟
2. Hierarchical parallelization of divide-and-conquer density functional tight-binding molecular dynamics and metadynamics simulations [J] . Nishimura Yoshifumi, Nakai Hiromi Journal of Computational Chemistry: Organic, Inorganic, Physical, Biological . 2020,第19a20期

机译：分配和征服密度函数紧密分子动力学和元动力模拟的分层并行化
3. Long-time molecular dynamics simulations on massively parallel platforms: A comparison of parallel replica dynamics and parallel trajectory splicing [J] . Perez Danny, Huang Rao, Voter Arthur F. Journal of Materials Research . 2018,第7期

机译：大规模并行平台上的长期分子动力学模拟：并行复制动力学和并行轨迹拼接的比较
4. Parallelization of a tight-binding molecular dynamics code by using the hpf environment [C] . M. Celino, V. Rosato, B. Di Martino Workshop on molecular dynamics on parallel computers . 2000

机译：使用HPF环境并行化密切的分子动力学代码
5. Parallel molecular dynamics simulations of dynamics of oxidation and reactive wetting in metal/ceramic systems. [D] . Aral, Gurcan. 2003

机译：金属/陶瓷系统中氧化和反应性润湿动力学的并行分子动力学模拟。
6. Snapshots of the Fragmentation for C70@Single-Walled Carbon Nanotube: Tight-Binding Molecular Dynamics Simulations [O] . Ji Young Lee, Changhoon Lee, Eiji Osawa, 2021

机译：C70颗粒碎片的快照：紧密结合分子动力学模拟
7. First-Principles Molecular Dynamics and Tight-Binding Quantum Chemical Molecular Dynamics Simulations on TribochemicalReaction Dynamics and Low-Friction Mechanismof Diamond-Like Carbon [O] . Momoji KUBO 2013

机译：第一原理分子动力学和紧密结合量子化学分子动力学模拟摩尼密碳动力学和低摩擦机制
8. Semiconductor surface and interface dynamics from tight-binding molecular dynamics simulations. [R] . G. K. Schenter J. P. LaFemina 1991

机译：来自紧密结合分子动力学模拟的半导体表面和界面动力学。

Parallel tight-binding molecular dynamics simulations on symmetric multi-processing platforms

摘要

著录项

相似文献

相关主题

期刊订阅