Maple programs for generating efficient FORTRAN code for serial and vectorised machines

Abstract We present two packages written in the language of the Maple Computer Algebra system for creating efficient FORTRAN code. The package called Macrofort provides the user with tools for creating optimised FORTRAN code. Through a realistic application, namely the computation of molecular integrals arising in the area of quantum chemistry, we show how Macrofort can generate optimised FORTRAN code for vectorised machines. The second package called Transfor allows the user to efficiently convert Ma... Title of program: RMAKE Catalogue Id: ADJK_v1_0 Nature of problem Many applications of current and fundamental research involve large problems requiring intensive computation. In the case of quantum chemistry and molecular physics, a computational bottleneck is the numerical calculation of the required molecular integrals to sufficient precision. In general, many computations require fast and efficient matrix calculations. Versions of this program held in the CPC repository in Mendeley Data ADJK_v1_0; RMAKE; 10.1016/S0010-4655(98)00114-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

摘要 我们研发了两款基于Maple计算机代数系统（Maple Computer Algebra system）语言编写的工具包，用于生成高效的FORTRAN代码。其中一款名为Macrofort的工具包可为用户提供生成优化型FORTRAN代码的相关工具。通过一个实际应用场景——即量子化学领域中产生的分子积分计算——我们演示了Macrofort如何为向量机生成优化后的FORTRAN代码。第二款工具包名为Transfor，可帮助用户高效地转换Ma……
程序名称：RMAKE
目录编号：ADJK_v1_0
问题属性
当前诸多基础研究与前沿应用均涉及需要海量计算的大规模问题。就量子化学与分子物理学领域而言，计算瓶颈在于以足够精度对所需分子积分开展数值计算。总体而言，多数计算任务都依赖于快速高效的矩阵运算。
孟德尔莱数据（Mendeley Data）中CPC库存储的该程序版本：ADJK_v1_0；RMAKE；10.1016/S0010-4655(98)00114-3
本程序源自贝尔法斯特女王大学托管的CPC程序库（1969-2018年）。