UND COMPUTATIONAL CHEMISTRY AND BIOLOGY CORE

本子项目是利用由NIH/NCRR资助的中心赠款提供的资源的众多研究子项目之一。子项目和研究者（PI）可能已经从另一个NIH来源获得了主要资金，因此可以在其他CRISP条目中表示。列出的机构是中心的，不一定是研究者的机构。CCBN在北达科他州完成了其为生物医学研究服务的第二年。使用数据的统计数据是从开发计划署场址的一个Silicon Graphics Origin 300服务器和六个SGI Fuel工作站收集的。尽管2004年的使用率有所下降，但CCBN仍被大量使用；部分原因可能是在报告所述期间，一些用户迁移到在联合国开发计划署校园内建立的高性能计算集群（不是CCBN的一部分）。联合国开发计划署工作网络CPU最小服务器CPU最小工作网络会话服务器服务器2003年430,154 1,736,263 8,212 1,430 2004 598,355 1,267,540 7,349 644%变化39.1% -27.0% -10.5% -53.6%中央计算机网络的一项高优先级目标是与联合国开发计划署的机构设施相结合。这是通过将设备转换为联合国计算机研究中心正在使用的LINUX平台来实现的。两个SGI工作站被LINUX盒子取代，LINUX版本的Tripos和Accelrys分子建模软件已成功测试。该设施的主要用户有两篇引用BRIN的期刊文章和今年的10次演讲。在向全州的研究人员提供CCBN等资源方面取得的进展表明，两名INBRE在PUIs的研究人员将在他们的研究项目中利用该网络。此外，CCBN继续用于UND的物理化学实验室教学，2004年有18名学生入学。目前正在对CCBN进行更深入的评估，分析使用数据并计划与网络用户进行访谈，以更好地了解使用模式、需求和满意度。用户还将被要求在创建和实施支持该网络的费用结构之前提供输入。

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 CCBN completed its second full year of service to biomedical research in North Dakota. Statistics on usage data are collected from one Silicon Graphics Origin 300 server and six SGI Fuel workstations at the UND site. The CCBN continues to be used heavily despite decreases in use for 2004; some of this might be attributable to the migration of some users to high performance computing clusters (not part of CCBN) which were established on the UND campus during the reporting period. UND Workstn CPU Min Server CPU Min Workstn Sessions Server Sess 2003 430,154 1,736,263 8,212 1,430 2004 598,355 1,267,540 7,349 664 %change 39.1% -27.0% -10.5% -53.6% A high priority objective for the CCBN is to be integrated into institutional facilities at UND. This is occurring through the conversion of equipment to a LINUX platform being utilized by the UND Center for Computational Research. Two SGI workstations were replaced by LINUX boxes and LINUX versions of Tripos and Accelrys molecular modeling software have been successfully tested. There are two primary users of the facility with 2 journal articles reported citing BRIN and 10 presentations for the year. Progress in providing resources such as the CCBN to researchers across the state is shown by the fact that two INBRE investigators at PUIs will be utilizing the network in their research projects. In addition, the CCBN continues to be used for physical chemistry laboratory instruction at UND where 18 students were enrolled in 2004. More in-depth evaluation of the CCBN is currently underway, analyzing usage data and planning interviews with users of the network to get a better understanding of usage patterns, needs and satisfaction. Users will also be asked to provide input prior to the creation and implementation of a fee structure to support the network.