NDSU COMPUTATIONAL CHEMISTRY ANDBIOLOGY CORE

这个子项目是利用由NIH/NCRR资助的中心拨款提供的资源的许多研究子项目之一。子项目和调查员(PI)可能从另一个NIH来源获得了主要资金，因此可能会出现在其他CRISE条目中。列出的机构是针对中心的，而不一定是针对调查员的机构。CCBN完成了对北达科他州生物医学研究的第二个全年服务。有关使用数据的统计数据来自NDSU的一台Silicon Graphics Origin 300服务器和六个SGI Fuel工作站。尽管2004年的使用量有所减少，但CCBN的使用量仍然很大；其中一些原因可能是一些用户迁移到报告所述期间在校园内建立的高性能计算集群(不是CCBN的一部分)。2003-04 CCBN使用情况比较NDSU Workstn CPU Min服务器CPU Min Workstn服务器会话2003 963,723 3,518,158 11,354 4,450 2004 761,438 1,113,618 10,608 4,784%Change-21.0%-68.3%-6.6%7.5%CCBN的一个高度优先目标是将CCBN整合到NDSU的机构设施中。这是通过将设备转换为NDSU高性能计算中心正在使用的Linux平台来实现的。用Linux Box取代了两台SGI工作站，并成功测试了Tripos和Accelrys分子建模软件的Linux版本。NDSU有三个主要用户组，有三个出版物，都引用了Brin。在向全州的研究人员提供CCBN等资源方面的进展体现在以下事实上：PUIS的两名INBRE调查人员将在他们的研究项目中利用该网络。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。还将要求用户在建立和实施支持网络的收费结构之前提供投入。

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 NDSU. 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 campus during the reporting period. 2003-04 CCBN Usage Comparison NDSU Workstn CPU Min Server CPU Min Workstn Sessions Server Sess 2003 963,723 3,518,158 11,354 4,450 2004 761,438 1,113,618 10,608 4,784 %change -21.0% -68.3% -6.6% 7.5% A high priority objective for the CCBN is to be integrated into institutional facilities at NDSU. This is occurring through the conversion of equipment to a LINUX platform being utilized by the NDSU Center for High Performance Computing. Two SGI workstations were replaced by LINUX boxes and LINUX versions of Tripos and Accelrys molecular modeling software have been successfully tested. There are three primary user groups at NDSU with three publications, all citing BRIN. 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. 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.