ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Various computers with different hardware configurations and operating systems are tested for speed, Fortran compiler efficiency of optimization, and library accuracy. Three different benchmarking schemes were used: (i) the PRECIS program, designed to reveal the floating-point characteristics and library accuracy of the machine in which it is run; (ii) the benchmark program FORCE, which is a stand-alone version of link 702 of Gaussian 80; and (iii) two previously published “crystallographic” benchmarks that check the speed of computation of nested DO loops. The results indicate that the quality of the compiler and its interaction with the operating system have as much impact on the overall performance of the system as the various hardware improvements.
Additional Material:
5 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560260855
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