| NVIDIA CUDA: Week in Review -- Issue 60 |
| Tuesday, 23 August 2011 | ||
NVIDIA CUDA: Week in Review -- Issue 60CUDA SPOTLIGHTGPU-Accelerated Molecular Dynamics This week's spotlight is on Dr. Ross Walker, assistant research professor with the San Diego Supercomputer Center (SDSC) at UC San Diego and adjunct assistant professor in the Department of Chemistry and Biochemistry at UC San Diego. Dr. Walker is a lead developer of AMBER (Assisted Model Building with Energy Refinement), a Molecular Dynamics (MD) software package for the simulation of biomolecules. A new update of AMBER, focusing on improved GPU acceleration, was recently made available to the public. NVIDIA: Ross, tell us about the AMBER news announcement.
NVIDIA: What kind of advantages have you achieved with CUDA? Ross: I cannot begin to do justice to the revolution that GPU acceleration through CUDA is having on Molecular Dynamics. The GPU acceleration of MD through CUDA is, for the first time, making it possible for scientists to ‘experiment' computationally. With our latest update, the performance of the code on a single Tesla M2090 GPU outstrips that achievable on 192 nodes of a Cray XT5 supercomputer. NVIDIA: When you think about the future of Molecular Dynamics, what excites you the most? Ross: We are only just beginning to scratch the surface in the types of questions we can ask with Molecular Dynamics. Traditionally it has been too slow and computationally expensive to make a significant impact in the drug discovery process but with GPU acceleration we are now at a point where the accuracy of MD approaches is no longer limited by the amount of sampling that can be done. Read the complete interview at: https://developer.nvidia.com/cuda-spotlights CUDA DEVELOPER NEWS CUDA Apps Roundup: New Releases and Updates
Stanford Seminars on High Performance Computing with CUDA: Stanford posted videos from the Spring 2011 seminar series held at the Institute for Computational and Mathematical Engineering (ICME). The ICME is directed by Professor Margot Gerritsen.For videos, see: https://bit.ly/osrgYk; For slides, see: https://bit.ly/pYAEqN ANSYS Regional Conferences: ANSYS, developer of CAE software, is hosting a series of regional conferences for end-users. The meetings are targeted to designers, engineers, analysts, managers and executives. To register, see: https://www.ansys.com/Conference; To read more about NVIDIA and ANSYS, see: https://bit.ly/nOXze3 NEW ON THE NVIDIA BLOG GPUs Crunch Data from Square Kilometer-Sized Radio Telescope, by Heather Mackay CUDA JOBS: Aptina Imaging is looking for talented software engineers to join the imaging solutions development team in San Jose, Calif. Required: Experience with GPGPU, OpenCL or CUDA; 3+ years of consumer software development in C++. See: https://bit.ly/pL7CVN Read CUDA: Week in Review on the web at: https://developer.nvidia.com/cuda-news
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Ross: The announcement concerns a large scale update to the GPU acceleration support in AMBER. This is something we have been working on for the last nine months with funding from the National Science Foundation's Scientific Software Infrastructure and Innovation program, in close collaboration with NVIDIA.
