SCALABLE MOLECULAR DYNAMICS SOFTWARE NAMD

可扩展的分子动力学软件 NAMD

• 批准号: 8172026
• 负责人: JAMES A PHILLIPS
• 金额: $ 15.07万
• 依托单位: UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN
• 依托单位国家: 美国
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-08-01 至 2011-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8172026
• 关键词: Charge; Code; Computer Retrieval of Information on Scientific Projects Database; Computer software; Funding; Grant; Institution; Paper; Performance; Research; Research Personnel; Resources; Source; Source Code; System; Time; United States National Institutes of Health; design; molecular dynamics; nanoscale; simulation; supercomputer

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. NAMD (Nanoscale Molecular Dynamics, http://www.ks.uiuc.edu/Research/namd/) is a parallel molecular dynamics code designed for high performance simulation of large biomolecular systems [1, 2]. NAMD employs the prioritized message- driven execution capabilities of the Charm++/Converse parallel runtime system (http://charm.cs.uiuc.edu/), allowing excellent parallel scaling on both massively parallel supercomputers and commodity workstation clusters. NAMD is distributed free of charge to over 37,000 registered users as both source code and convenient precompiled binaries. 8,900 users have downloaded multiple releases. The 2005 NAMD reference paper [47] has been cited over 1000 times. NAMD 2.7b2 was released in November 2009 and has been downloaded by over 4,200 users, 700 of whom are NIH-funded.

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 NAMD（Nanoscale Molecular Dynamics，http：//www.ks.uiuc.edu/Research/namd/）是一个并行分子动力学程序 设计用于大型生物分子系统的高性能模拟[1，2]。 NAMD采用优先信息- Charm ++/匡威并行运行时系统（http：//charm.cs.uiuc.edu/）的驱动执行功能，允许 在大规模并行超级计算机和商用工作站集群上都具有出色的并行扩展能力。NAMD是 作为源代码和方便的预编译二进制文件免费分发给37，000多个注册用户。 8,900 用户已经下载了多个版本。2005年NAMD参考文件[47]被引用超过1000次。NAMD 2.7b2于2009年11月发布，已被超过4，200名用户下载，其中700人是NIH资助的。