Introduction to HPC (Beta) Logo
  • Introduction to High Performance Computing
  • Supercomputing
  • Parallel Computers
  • Parallel Computing
  • Computer Simulations
  • Exercises
    • Practical exercise 0: First use of HPC machine, Hello World!
    • Practical exercise 1: First use of HPC machine, Image sharpening code
    • Practical exercise 2: Parallel worksharing, Fractal code
    • Pratical exercise 3: Investigating parallel performance, GROMACS
      • Molecular Simulation
      • Part 1: Strong Scaling
      • Part 2: Weak Scaling
    • Practical exercise 4: Traffic simulation
Introduction to HPC (Beta)
  • Exercises
  • Pratical exercise 3: Investigating parallel performance, GROMACS
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Pratical exercise 3: Investigating parallel performance, GROMACS

  • Molecular Simulation
    • Molecular Dynamics
    • GROMACS
  • Part 1: Strong Scaling
    • The benchmark system
    • Running the benchmark
    • Things to investigate
    • Comparing results with Amdahl’s law
  • Part 2: Weak Scaling
    • The benchmark system
    • Running the benchmark
    • Things to investigate
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