并行FORTRAN程序设计技术探索

简要叙述了并行程序设计语言ＣＭＦｏｒｔｒａｎ的计算模式、并行数据结构及其主要特征．并对Ｆｏｒｔｒａｎ７７和Ｆｏｒｔｒａｎ９０上的扩展部分作了概要描述．     

A T-matrix method and computer code for randomly oriented, axially symmetric coated scatterers

A computer code is described for the calculation of light-scattering properties of randomly oriented, axially symmetric coated particles, in the framework of the T-matrix theory. The underlying mathematical background is outlined briefly and convergence procedures are discussed. After outlining the input-output interaction between user and code, benchmark results are presented for two distinct shapes: coated, centered spheroids and offset coated spheres.     

基于HT-7U超导托卡马克放电的EFUND软件实现

介绍了基于HT-7U超导托卡马克装置放电的EFUND软件实现过程。介绍了装置的格林函数和计算公式及用于计算格林函数的EFUND算法的主要思想。简要叙述了计算感应系数的两个主要过程,介绍了EFUND软件的改进意义和遇到问题及解决经验,给出了两种语言环境下EFUND软件运行结果的误差分析。实现了EFUND软件的实时控制功能,为平衡拟合EFIT系统的实时控制改进奠定了基础。     

Fortran codes for the correlation functions of hard sphere fluids

Our Fortran codes for hard sphere fluids and their mixtures for the correlation functions that arise from the Percus–Yevick theory and the Verlet–Weis semi-empirical correction have proven useful during a period of nearly four decades and continue to be useful. In order to make these codes even more widely available, a brief summary is presented here and listings of these codes are given in the electronically accessible Supplementary Material to this paper.     

PPV中极化子动力学方程的龙格-库塔求解

构造求解一阶微分方程组初值问题的八阶龙格-库塔递推公式,结合描述有机分子运动的一维紧束缚模型,研究PPV原子链中极化子的形成及运动.对碳原子数N=160的PPV原子链,由可控步长八阶龙格-库塔公式求解2N(2N+1)=102720个方程组成的方程组,用Fortran语言编程计算,得到稳定的极化子结构和运动图像;在场强E...     

DJpsiFDC：an event generator for the process gg→J/ψJ/ψ at the LHC

DJpsiFDC is an event generator package for the process gg→J/ψJ/ψ. It generates events for primary leading-order 2→2 processes. The package could generate a Les Houches Event (LHE) document and this could easily be embedded into detector simulation software frameworks. The package is produced in Fortran code.     

Accelerating VASP electronic structure calculations using graphic processing units

We present a way to improve the performance of the electronic structure Vienna Ab initio Simulation Package (VASP) program. We show that high-performance computers equipped with graphics processing units (GPUs) as accelerators may reduce drastically the computation time when offloading these sections to the graphic chips. The procedure consists of (i) profiling the performance of the code to isolate the time-consuming parts, (ii) rewriting these so that the algorithms become better-suited for the chosen graphic accelerator, and (iii) optimizing memory traffic between the host computer and the GPU accelerator. We chose to accelerate VASP with NVIDIA GPU using CUDA. We compare the GPU and original versions of VASP by evaluating the Davidson and RMM-DIIS algorithms on chemical systems of up to 1100 atoms. In these tests, the total time is reduced by a factor between 3 and 8 when running on n (CPU core + GPU) compared to n CPU cores only, without any accuracy loss. © 2012 Wiley Periodicals, Inc.     

Winds from a Bayesian Hierarchical Model: Computation for Atmosphere-Ocean Research

Advances in computing power are allowing researchers to use Bayesian hierarchical models (BHM) on problems previously considered computationally infeasible. This article discusses the procedure of migrating a BHM from a workstation-class implementation to a massively parallel architecture, indicative of the current direction of advances in computing hardware. The parallel implementation is nearly 500 times larger than the workstation-class implementation from the data perspective. The BHM in question combines the information from a scatterometer on board a polar-orbiting satellite and the result of a numerical weather prediction model and produces an ensemble of high-resolution tropical surface wind fields with physically realistic variability at all spatial scales.