Showing 5 open source projects for "cpu"

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  • 1
    SMASH

    SMASH

    Massively parallel software for quantum chemistry calculations

    ...It is currently capable of energy, analytical gradient, and geometry optimization calculations of Hartree-Fock theory and Density Functional Theory (DFT), and energy calculations of Second-order Moller-Plesset (MP2) perturbation theory. DFT calculations can be performed on 100,000 CPU cores with high parallel efficiency.
    Downloads: 7 This Week
    Last Update:
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  • 2
    RMGDFT

    RMGDFT

    Real Space Multigrid based electronic structure code.

    ...RMG is a density functional theory (DFT) based electronic structure code that uses real space grids to represent wavefunctions, charge densities and ionic potentials. Designed for scaleability it has been run successfully on systems with thousands of nodes and hundreds of thousands of CPU cores. It is currently under active development and contributions are gladly accepted.
    Downloads: 0 This Week
    Last Update:
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  • 3
    ...The program codes are written in the Fortran 90/95 language with MPI and OpenMP. Time dependent density functional theory (TD-DFT) calculations can be performed on 100,000 CPU cores of K Computer with high parallel efficiency.
    Downloads: 0 This Week
    Last Update:
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  • 4
    this program solves inverse problem of chemical kinetics on gpu and cpu,using ati stream,mpi and openmp
    Downloads: 0 This Week
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    Automate contact and company data extraction

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  • 5
    Gkrellfah2 is a plugin for GkrellM2 that monitors and controls the Linux Folding@home client. It features configurable text output, monitoring of cpu use, autostart of F@H clients, standalone or client/server models, and logging of completed workunit
    Downloads: 0 This Week
    Last Update:
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