ACCELERATION OF MOLECULAR MODELING APPLICATIONS WITH GRAPHICS PROCESSORS

这个子项目是利用资源的许多研究子项目之一 由NIH/NCRR资助的中心拨款提供。次级项目的主要支助 子项目的主要研究者可能是由其他来源提供的， 包括其它NIH来源。 为子项目列出的总成本可能 代表子项目使用的中心基础设施的估计数量， NCRR赠款不直接向子项目或子项目工作人员提供资金。 在过去的几年里，图形处理的硬件和软件体系结构 GPU（图形处理器）已经发展到现在可以用于通用目的 科学计算 最先进的图形处理器包括数百个独立的 算术单元，每秒可执行高达5000亿次浮点运算， 性能水平远高于当前一代CPU内核。 的 资源已经实现了几个GPU加速的计算内核的关键分子 建模任务，实现性能水平的10至100倍， 传统CPU实现（http：//www.ks.uiuc.edu/Research/gpu/）。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. Over the past several years, the hardware and software architecture of graphics processing units (GPUs) has evolved to the point that they can now be used for general purpose scientific computations. State-of-the-art graphics processors include hundreds of individual arithmetic units and can perform up to 500 billion floating point operations per second, a level of performance far above that available with current generation CPU cores. The Resource has implemented several GPU-accelerated computational kernels for key molecular modeling tasks which achieve performance levels of ten to one hundred times that of traditional CPU implementations (http://www.ks.uiuc.edu/Research/gpu/).