About MDGPU
MDGPU package
The computational power of recent graphic cards (GPU) exceeds
recent main processors (CPU) by a factor hundred. With our
simulation package
MDGPU we present a framework for
Molecular Dynamics simulations, where the computationally
most expensive parts are offloaded to the GPU and system dependent
tasks are conveniently performed on the CPU.
Features
- High-performance Molecular Dynamics core
- High-performance random number generator (rand48)
- Lennard-Jones pair potential
Scientific article
We just submitted our article to Molecular Simulation. Once it is
published the link will be added here.