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Core and Uncore Joint Frequency Scaling Strategy 被引量:1
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作者 Vaibhav Sundriyal Masha Sosonkina +1 位作者 Bryce Westheimer Mark Gordon 《Journal of Computer and Communications》 2018年第12期184-201,共18页
Energy-proportional computing is one of the foremost constraints in the design of next generation exascale systems. These systems must have a very high FLOP-per-watt ratio to be sustainable, which requires tremendous ... Energy-proportional computing is one of the foremost constraints in the design of next generation exascale systems. These systems must have a very high FLOP-per-watt ratio to be sustainable, which requires tremendous improvements in power efficiency for modern computing systems. This paper focuses on the processor—as still the biggest contributor to the power usage—by considering both its core and uncore power subsystems. The uncore describes those processor functions that are not handled by the core, such as L3 cache and on-chip interconnect, and contributes significantly to the total system power. The uncore frequency scaling (UFS) capability has been available to the user since the Intel Haswell processor generation. In this paper, performance and power models are proposed to use both the UFS and dynamic voltage and frequency scaling (DVFS) to reduce the energy consumption in parallel applications. Then, these models are incorporated into a runtime strategy that performs processor frequency scaling during parallel application execution. The strategy can be implemented at the kernel/firmware level, which makes it suitable for improving the energy efficiency of exascale design. Experiments on a 20-core Haswell-EP machine using the quantum chemistry application GAMESS and NAS benchmark resulted in up to 24% energy savings with as little as 2% performance loss. 展开更多
关键词 Uncore FREQUENCY SCALING (UFS) Dynamic Voltage and FREQUENCY SCALING (DVFS) Power gamess Energy SAVINGS NAS Benchmarks
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Runtime Power Allocation Based on Multi-GPU Utilization in GAMESS
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作者 Masha Sosonkina Vaibhav Sundriyal Jorge Luis Galvez Vallejo 《Journal of Computer and Communications》 2022年第9期66-80,共15页
To improve the power consumption of parallel applications at the runtime, modern processors provide frequency scaling and power limiting capabilities. In this work, a runtime strategy is proposed to maximize performan... To improve the power consumption of parallel applications at the runtime, modern processors provide frequency scaling and power limiting capabilities. In this work, a runtime strategy is proposed to maximize performance under a given power budget by distributing the available power according to the relative GPU utilization. Time series forecasting methods were used to develop workload prediction models that provide accurate prediction of GPU utilization during application execution. Experiments were performed on a multi-GPU computing platform DGX-1 equipped with eight NVIDIA V100 GPUs used for quantum chemistry calculations in the GAMESS package. For a limited power budget, the proposed strategy may deliver as much as hundred times better GAMESS performance than that obtained when the power is distributed equally among all the GPUs. 展开更多
关键词 Time Series Forecasting ARIMA Power Allocation Performance Modeling gamess GPU Utilization
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Maximizing Performance under a Power Constraint on Modern Multicore Systems
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作者 Vaibhav Sundriyal Masha Sosonkina +1 位作者 Bryce Westheimer Mark S. Gordon 《Journal of Computer and Communications》 2019年第7期252-266,共15页
Energy efficiency and energy-proportional computing have become a central focus in modern supercomputers. These supercomputers should provide high throughput per unit of power to be sustainable in terms of operating c... Energy efficiency and energy-proportional computing have become a central focus in modern supercomputers. These supercomputers should provide high throughput per unit of power to be sustainable in terms of operating cost and failure rates. In this paper, a power-bounded strategy is proposed that maximizes parallel application performance under a given power constraint. The strategy dynamically allocates power to core, uncore, and memory power domains within a node to maximize performance under a given power budget. Experiments on a 20-core Haswell-EP platform for a real-world parallel application GAMESS demonstrate that the proposed strategy delivers performance within 4% of the best possible performance for as much as 25% reduction in the minimum power budget required for maximum performance. 展开更多
关键词 Uncore FREQUENCY SCALING (UFS) Dynamic Voltage and FREQUENCY SCALING (DVFS) Power BUDGET gamess
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量子化学计算程序向Windows集群的移植实现
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作者 王奇 刘信安 《四川轻化工学院学报》 2004年第2期39-42,共4页
利用Cygwin,将Linux和Unix操作系统下的量子化学并行计算程序移植到运行Windows操作系统的集群环境中,实现了Windows集群中的量子化学并行计算。文章给出了具体的移植实例和计算实例。
关键词 并行计算 gamess CYGWIN 集群
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Study of Intermolecular Interactions in Liquid Crystals: Para-butyl-p’-cyano-biphenyl
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作者 K. K. Dwivedi M. K. Dwivedi S. N. Tiwari 《Journal of Crystallization Process and Technology》 2014年第1期31-38,共8页
Various characteristics of mesomorphism can be explained using intermolecular interactions between a pair of liquid crystalline molecules. The intermolecular interactions have been calculated considering multipole-mul... Various characteristics of mesomorphism can be explained using intermolecular interactions between a pair of liquid crystalline molecules. The intermolecular interactions have been calculated considering multipole-multicentere expansion method and modified by second order perturbation treatments. For calculation of multipole i.e. charge, dipole, etc. at each atomic center of molecules, para-butyl-p’-cyano-biphenyl, GAMESS, an ab initio program, with 6-31G* basis set has been used. The stacking, in-plane and terminal interaction energies explain the liquid crystalline behaviour of the system. 展开更多
关键词 Liquid Crystals Phase Transition INTERMOLECULAR Interactions gamess Multicentred-Multipole Expansion
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NWChem与GAMESS-US软件在有机小分子计算中的性能分析
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作者 张宝花 金钟 《科研信息化技术与应用》 2014年第5期57-64,共8页
本文围绕13个不同规模的有机小分子体系,考察了NWChem与GAMESS-US软件在DFT/B3LYP理论级别及不同基组下计算的能量和结构变化、优化步数及自洽迭代时间等,探讨了优化算法及处理技巧。同时,本文对NWChem软件并行性能分析的结果表明,对于... 本文围绕13个不同规模的有机小分子体系,考察了NWChem与GAMESS-US软件在DFT/B3LYP理论级别及不同基组下计算的能量和结构变化、优化步数及自洽迭代时间等,探讨了优化算法及处理技巧。同时,本文对NWChem软件并行性能分析的结果表明,对于中到大体系,计算规模为32处理器/核及以上时可以获得更好的计算效率。通过本项研究有助于更好的使用NWChem与GAMESSUS软件。文中提供的软件测试和分析思路同样适用于其他量化软件,同时NWChem并行分析也为量子化学程序提供了软件并行效率改进方面的参考。 展开更多
关键词 有机分子 结构优化 NWChem gamess-US 性能分析
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酮-烯醇互变异构的量子化学研究
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作者 唐作华 周红平 +1 位作者 鄢国森 田安民 《四川大学学报(自然科学版)》 CAS CSCD 1993年第3期375-379,共5页
采用MNDO方法和GAMESS90程序,对酮-烯醇互变异构进行了研究,得到了互变异构的极小能量反应途径及其过渡态的几何构型。
关键词 互变异构 量子化学 烯醇
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