GPU-Powered AMBER 11 Unleashes Desktop Supercomputing for Bio-scientists
Scientists Engaged in Drug Discovery Register Up To 100X Boost in Computing Performance
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FOR IMMEDIATE RELEASE:
SANTA CLARA, Calif. —April 29, 2010—The time-consuming scientific research behind drug discovery can now be accelerated with the launch of AMBER 11, a software tool that enables bio-scientists to harness the power of supercomputing on their desktop PC.
AMBER 11, the latest version of one of the most widely used applications for biochemists and others involved in molecular dynamics research, is optimised to run on NVIDIA® graphics processing units (GPUs), which speed up the tool by up to 100-fold over a traditional CPU -based server. GPUs deliver performance from a desktop workstation that previously could only be achieved on a supercomputer, improving productivity as scientists no longer need to wait for time on a shared supercomputer or departmental cluster of servers.
“The supercomputing resource we use is constantly over-subscribed, forcing us to wait a day or more to run a simulation, adding weeks to our research projects,” said Dr. Ross Walker, research professor at the San Diego Supercomputer Center, at the University of California, San Diego, and a principle AMBER contributor.
AMBER 11 is designed to take advantage of NVIDIA Tesla™ 20-series GPUs, which utilize the massively parallel CUDA™ architecture for the specific needs of high performance computing applications. In early trials with the AMBER user community, Dr. Walker received over a dozen reports of speedups over 30-times on a range of bio-molecular simulations.
“With GPUs, we can now do most of our work at the desktop and that changes everything. Any research department looking to invest in computing resources to run AMBER should start by equipping every researcher with GPU-enabled workstations,” Walker added.
Dr. Walker noted that just one Tesla GPU provides as much processing power as a high performance cluster of 512 CPU cores when simulating one nanosecond in the lifetime of a 25,000 atom implicit solvent nucleosome. In a simpler explicit solvent simulation, such as the JAC benchmark, he noted that one Tesla GPU provides the equivalent processing power of 48 cores of the NSF Ranger supercomputer.
“Order of magnitude increases in performance enable new science and the work we’ve done with Dr. Walker is one of these breakthroughs,” said Andrew Cresci, general manager of vertical marketing at NVIDIA. “With AMBER 11, scientists can now test many more theories and simulate many different scenarios due to the speed afforded by GPUs and most importantly, the ease of access to GPU-based workstations.”
For more information on AMBER 11, go here. For more information on NVIDIA’s Tesla Bio Workbench, NVIDIA’s initiative, of which AMBER is a component, to enable biophysicists and computational chemists to push the boundaries of biochemical research through the use for GPUs, please visit here.
Certain statements in this press release including, but not limited to, statements as to: NVIDIA Tesla GPUs, CUDA architecture and Amber 11 are forward-looking statements that are subject to risks and uncertainties that could cause results to be materially different than expectations. Important factors that could cause actual results to differ materially include: development of more efficient or faster technology; design, manufacturing or software defects; the impact of technological development and competition; changes in consumer preferences and demands; customer adoption of different standards or our competitor's products; changes in industry standards and interfaces; unexpected loss of performance of our products or technologies when integrated into systems as well as other factors detailed from time to time in the reports NVIDIA files with the Securities and Exchange Commission including its Form 10-K for the fiscal year ended January 31, 2010. Copies of reports filed with the SEC are posted on NVIDIA’s website and are available from NVIDIA without charge. These forward-looking statements are not guarantees of future performance and speak only as of the date hereof, and, except as required by law, NVIDIA disclaims any obligation to update these forward-looking statements to reflect future events or circumstances.
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