What is mdcore?

mdcore is an attempt to construct a general-purpose library containing efficient implementations of the core routines required for Molecular Dynamics simulations on shared-memory parallel architectures.

These target architectures include

• Multi-Core Processors,
• The IBM Cell Broadband Engine,
• CUDA-capable Graphics Processing Units.

The goal of this project is not to provide yet another fully-featured simulation software, but to provide shared-memory functionallity that can be easily integrated into existing or future simulation codes.

Using mdcore

The directory "mdcore/examples" contains a number of small simulations which offer a useful starting point for experimenting with mdcore and implementing your own simulation.