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Jul 15, 2010

OpenMM 2.0 Enables MD Acceleration on ATI and NVIDIA GPUs

By Joy Ku

We are excited to announce the release of OpenMM 2.0, a major update of this library for accelerating molecular dynamics. This version supports accelerated calculations on NVIDIA GPU cards (using either CUDA or OpenCL), as well as ATI GPU cards (using OpenCL). It also includes pressure coupling, more custom force types, and significant performance increases. You can download OpenMM from http://simtk.org/home/openmm. OpenMM 2.0 has been made available to GROMACS users (via OpenMM-Accelerated GROMACS) and to AMBER users (via an AMBER/Sander-compatible interface to OpenMM, available at http://simtk.org/home/sander_openmm).

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