64 :

Abstract (NSSL)

OutlineIntroduction(first principles) --(DFT) (Beowulf)CPU ()High-Performance Linpack (HPL)NAS Parallel Benchmark (NPB)(ABINIT and VASP)

Introduction (Quantum effect)

..

(NCHC)

-- (Density Functional Theory, DFT )

(Beowulf)http://www.beowulf.org/overview/index.html

1994NASA

Intel 100 MHz DX410Mbits/s Ethernet LinuxMPIClusterBeowulf

CPU () PCI (BLAS)

CPU ()CPU CPU

High-Performance Linpack (HPL)HPL Ax = b ( A N N )()TOP500 list HPL RmaxHPL Rpeak x x (IPC x Frequency x Number of processors)Rpeak = 2HZ 1.8GHz 16 = 57.6GflopsFormosa cluster BLAS ()GOTOATLASAthlon 64

NAS Parallel Benchmark (NPB)NPB NASA ISFTEPMGCGLUSP BT

(ABINIT)

(VASP)(Density of States):,

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