Acquisition of an Additional Mixed CPU/GPU Computational Node at the CUNY HPCC

这是一项补充建议，以获得将存储在纽约城市大学的额外计算设备 纽约(CUNY)高性能计算中心(HPCC)支持赠款1R15GM146228-01。CUNY HPCC 位于斯坦顿岛学院，也就是PI的所在地。最初的建议侧重于 核小体核心颗粒的结构和动力学表征方法的发展，重点是核 酸序列、翻译后修饰和致癌突变。获得额外的计算量 HPCC的设备对这笔赠款的成功至关重要。正如提案中所讨论的，原子模拟和 系统规模需要访问具有多个GPU(图形处理单元)的计算节点。这笔赠款将 在暑期和学年支持多名本科生。曝光本科生和 研究生(化学、生物化学和计算机科学)到高级计算设备 CUNY HPCC将推动他们在计算分子生物物理学方面的研究项目取得成功。

This is a supplemental proposal to obtain additional computational equipment to be stored in the City University of New York (CUNY) High Performance Computing Center (HPCC) in support of grant 1R15GM146228-01. The CUNY HPCC is located at the College of Staten Island, which is the location of the PI. The original proposal focuses on the development of methods to characterize the structure and dynamics of the nucleosome core particle, focusing on nucleic acid sequence, posttranslational modifications, and oncogenic mutations. The obtainment of additional computational equipment at the HPCC is critical to the success of this grant. As discussed in the proposal, the atomistic simulations and system sizes require access to computational nodes with multiple GPUs (graphics processing units). This grant will support multiple undergraduate students during the summer and the academic year. Exposure of undergraduate and graduate students (in Chemistry, Biochemistry, and Computer Science) to advanced computational equipment at the CUNY HPCC will promote the success of their research projects in computational molecular biophysics.