PETASCALE BIOMOLECULAR SIMULATION

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 该资源正在准备软件和硬件，以利用NSF资助的 IBM Blue Waters持续PB级计算系统将在校园内安装 在2011年。NAMD[1]对1亿个原子的模拟被指定为接受 对机器进行测试，在准备工作中获得了前所未有的帮助 NAMD能够可靠高效地运行。

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. The Resource is preparing both software and hardware to utilize the NSF-funded IBM Blue Waters sustained petascale computing system to be installed on campus in 2011. A NAMD [1] simulation of 100 million atoms is specified as an acceptance test for the machine, resulting in unprecedented levels of assistance in preparing NAMD to run reliably and efficiently.