AnEarlyComputerComputersinEarlySpaceProgramsCray-2ComputerPCEvolutionPCEvolution45nmFLOPS(doubleprecision)Intel8088/8087:1MCray2:2GG=109;T=1012;P=1015FromTOP500(June2017):SunwayTaihuLight-神威·太湖之光93Peta10,649,600coresNUDTTianhe-2:33.86P(2nd)CrayXC50:20P(3rd)ALPS(NCHC御風者):25600cores,177TFlop(>500th)(was445that2015)(was370that2014)(was42ndat2011)ALPS—AcerAR585F1Cluster25,600computecores177TFlopsProcessors:AMDOpteron6174,12cores,2.2GHz(computenodes)AMDOpteron6136,8cores,2.4GHz(fatnodes)MainMemory(pernode):128GB(computenodes)256GB(fatnodes)中國國家超級計算廣州中心中國國家超級計算無錫中心SystemArchitectureProgramsforMolecularModeling計算化學/分子模擬MethodsforMolecularModelingSpartan軟體簡介Gaussian軟體簡介Gaussian09適用平臺及主要功能Gaussian09使用要點Gaussian09使用要點用什麼電腦執行Gaussian09?