GPIUTMD 0.9.6 released

June 26th, 2011

GPIUTMD stands for Graphic Processors at Isfahan University of Technology for Many-particle Dynamics. It performs general-purpose many-particle dynamic simulations on a single workstation, taking advantage of NVIDIA GPUs to attain a level of performance equivalent to thousands of cores on a fast cluster. Flexible and configurable, GPIUTMD is currently being used for all atom and coarse-grained molecular dynamics simulations of nano-materials, glasses, and surfactants; dissipative particle dynamics simulations (DPD) of polymers; and crystallization of metals using EAM potentials. GPIUTMD 0.9.6 adds many new features. Highlights include:

  • Morse bond potential
  • Adding constant acceleration to a group of particles. (useful for modeling gravity effects)
  • Computes the full virial stress tensor (useful in mechanical characterization of materials)
  • Long-ranged electrostatics via PPPM
  • Support for CUDA 3.2
  • Theory manual
  • Up to twenty percent boost in simulations
  • and more

A demo version of GPIUTMD 0.9.6 will be available soon for download under an open source license. Check out the quick start tutorial to get started, or check out the full documentation to see everything it can do.