COMD is a reference implementation of typical classical molecular dynamics algorithms and workloads. Molecular Dynamics is used in Materials Science and Engineering, Chemistry and Biology to study the dynamical properties of liquids, solids, and other systems.  The source is created and maintained by ExMatEx: Exascale Co-Design Center for Materials in Extreme Environments (

COMD has been ported with OpenCL 1.2 and the  HCC Compiler with the C++ AMP dialect which support

  • OpenCL 1.2 version can be built to run on FirePro W9100 and S9150
  • C++ AMP version can be built to run on
    • FirePro W9100 and S9150 via OpenCL 1.2 runtime with SPIR 1.2
    • Radeon Open Compute Kernel Driver and Runtime on Fiji based hardware.


You can get both ports in the COMD directory on GitHub linked bellow.