NDSU COMPUTATIONAL CHEMISTRY ANDBIOLOGY CORE

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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.