Optimising the Termofluids CFD code for petascale simulations

ABSTRACT

This paper presents some recent efforts carried out on the expansion of the scalability of TermoFluids multi-physics Computational Fluid Dynamics (CFD) code, aiming to achieve petascale capacity for a single simulation. We describe different aspects that we have improved in our code in order to efficiently run it on 131,072 CPU-cores. This work has been developed using the BlueGene/Q Mira supercomputer of the Argonne Leadership Computing Facility, where we have obtained feedback at the targeted scale. In summary, this is a practical paper showing our experience at reaching the petascale paradigm for a single simulation with TermoFluids.     

多缓冲机制下ADPCM解码算法适应性研究

文章对不同缓冲机制下ADPCM解码算法的运行条件进行了分析与对比,利用最小二乘法,提出关于ADPCM解码函数输入数据量与函数输入缓冲区长度的条件关系式,量化了不同缓冲机制对算法适应性的影响;针对实验环境的特点,改进了IMA ADPCM解码算法.研究结果表明,采用多缓冲机制能显著提高ADPCM算法的适应性;改进后的解码算法效率较原算法提高约75%.     

利用有限域上的伪辛几何构作一类Cartesian认证码

利用有限域上的伪辛几何构作一类Cartesian认证码，计算了新认证码的参数，并在假定按照等概率分布来选择编码规则下，计算了成功模仿攻击的概率和成功替换攻击的概率．     

25Hz微电子交流计数站内电码化调试存在问题分析

分析了微电子交流计数站内电码化在车出清区段后不能自动复原的问题,探讨了解决问题的方案,并提出了在受端发码时受端发码电源的调试范围。     

Efficient implementation of restricted active space configuration interaction with the hole and particle approximation

The restricted active space configuration interaction (RASCI) formalism with the hole and particle truncation of the wavefunction, that is, RASCI(h,p), holds very nice properties such as balanced treatment of ground and low‐lying excited states, spin‐completeness, large flexibility of the wavefunction, and moderate computational cost. In this article, I present a new implementation of the RASCI(h,p) method using a general algorithm based on the integral‐driven approach. The new implementation allows to choose any electronic configuration as the single reference in combination with an excitation operator with any number of ionization, electron attachment, or spin‐flip (SF) excitations. The applicability and good performance of the new computational code is tested in the ground state calculation of water molecule with increasingly large active spaces and up to the full‐CI limit, the calculation of all‐trans linear polyenes with variable number of SF excitations, and the low‐lying states of fluorine molecule with a double‐ionization potential operator. © 2012 Wiley Periodicals, Inc.     

Flexizyme‐Mediated Genetic Reprogramming As a Tool for Noncanonical Peptide Synthesis and Drug Discovery

Noncanonical peptides occur frequently in Nature, and often display high bioactivity. However, the lack of tractable systems for the synthesis of diverse libraries of such peptides has thus far hampered their development as drugs. Genetic reprogramming techniques, in which noncanonical amino acids may be incorporated into peptides, have largely removed this limitation. This Concept article outlines the development of these techniques with an emphasis on drug discovery.     

基于V-BLAST的多载波直接序列扩频CDMA系统上行链路性能分析

提出了一种应用多输入多输出（MIMO）的垂直分层空时（V-BLAST）检测算法的多载波直接序列扩频CDMA（MC-DS-CDMA）的系统结构,对系统上行链路的误码率性能进行了理论分析,推导出了接收天线数大于发射天线数条件下系统误码率的理论表达式,并通过计算机仿真进行了验证,数值结果表明,收发天线数对系统性能具有较大的影响,相对于传统MC-DS-CDMA系统,减少发射天线数或增加接收天线数均可使基于V—BLAST算法的MC-DS-CDMA系统的性能和容量有不同程度的改善．     

The depth spectrums of constacyclic codes over finite chain rings

In light of the generator polynomials of constacyclic codes over finite chain rings, the depth spectrum of constacyclic codes can be determined if (n,p)=1$(n,p)=1$.     

Classification of Graeco‐Latin Cubes

A q‐ary code of length n, size M, and minimum distance d is called an code. An code with is said to be maximum distance separable (MDS). Here one‐error‐correcting () MDS codes are classified for small alphabets. In particular, it is shown that there are unique (5, 5³, 3)₅ and (5, 7³, 3)₇ codes and equivalence classes of (5, 8³, 3)₈ codes. The codes are equivalent to certain pairs of mutually orthogonal Latin cubes of order q, called Graeco‐Latin cubes.