IA04 - SOFTWARE “GPUnet"

 

GPU Net is a versatile C++ library for developing computing applications, such as molecular dynamics simulations.

 

Benefits:

  • Reduction in algorithm complexity in computational software with large numbers of elements
  • Reduced computation times leading to cost savings


Description:

  • Programmer's library for developing computational software with large numbers of elements and algorithm complexity N2 (N = number of elements)
  • The internal structure of elements and their neighbour links, through which the algorithm complexity is reduced to N*log(N)
  • Multi-platform configuration (Windows/Linux)
  • Utilization of GPGPU parallel computation using graphics processing units (CUDA/OpenCL)

 


Relevant fields:

  • Computational/mathematical physics


Applications:

  • A simple GPU Net-based application for molecular dynamics simulations for the following purposes:
    • Predictions of mechanical properties (Young’s modulus, hardness)
    • Simulations of nanoindentation
    • Micro-scale and nano-scale simulations
  • Potential for other GPU Net-based computational applications (finite element method and others)

     

 

Logo