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Software - namd​

Description​

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.

Website​

https://www.ks.uiuc.edu/Research/namd/

Variants installed​

  1. namd 2.14

    • Compiler: aocc 3.2.0
    • Architecture: zen2
    • Supports MPI
    • Supports CUDA
    • Supports OpenMP

    Spack Command

    $ spack load namd/xgccvd2

  2. namd 2.14

    • Compiler: aocc 3.2.0
    • Architecture: zen2
    • Supports MPI
    • Supports CUDA
    • Supports OpenMP

    Spack Command

    $ spack load namd/vl4byny