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选择Gaussian 98大型计算化学软件包,设计了两组具有代表性的测试算例,在多种个人计算机和工作站硬件、系统软件平台上进行计算性能的综合测试、分析和评价.指出目前高端PC机采用Linux操作系统时性能完全可匹敌最快的工作站,为计算化学研究者选择和构架高性能、价格比的计算机系统提供参考.
个人计算机和工作站上计算化学软件性能的综合测评
【摘 要】
：
选择Gaussian 98大型计算化学软件包,设计了两组具有代表性的测试算例,在多种个人计算机和工作站硬件、系统软件平台上进行计算性能的综合测试、分析和评价.指出目前高端PC机
【机 构】
：
贵州大学化学系
【出 处】
：
计算机与应用化学
【发表日期】
：
2004年期
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