ACCELERATION OF MOLECULAR MODELING APPLICATIONS WITH GRAPHICS PROCESSORS

该子项目是利用 由NIH/NCRR资助的中心赠款提供的资源。子项目和 研究者（PI）可能从另一个NIH来源获得主要资金， 因此可以在其他CRISP条目中表示。列出的机构是 中心，不一定是研究者的机构。 在过去的几年中，图形处理单元（GPU）的硬件和软件架构已经发展到 现在，它们可以用于一般目的的科学计算。 最先进的图形处理器包括 数百个独立的算术单元，每秒可以执行高达5000亿次浮点运算， 性能远高于当前一代CPU内核。 该资源已经实现了几个GPU- 用于关键分子建模任务的加速计算内核，其性能水平达到10：1 是传统CPU实现的数百倍（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. 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. 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/).