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| GPU Accelerated for Faster Amber Simulation | |
| AMBER is a key application in molecular dynamics used to simulate biocatalysis and the interaction between drug candidates and protein receptors. An exemplary feature of AMBER is the ability to use NVIDIA GPUs to massively accelerate complex molecular simulations. This massively enhances sampling efficiency, improves research accuracy, enables more advanced science, and speeds up the research process.
AMBER Certified GPU Systems
The main driving force behind the AMBER GPU development has been to bring supercomputer power and performance to individual desktops with an economical price, high power efficiency and designed to benefit the widest range of researchers. Exxact Corporation has teamed up with the AMBER development team to design a series of AMBER GPU computing solutions that provide the optimum price performance for AMBER users. » View AMBER16 GPU Benchmark
These machines provide a turnkey solution for AMBER simulation, come preinstalled with the latest version and updates, are ready to run out of the box and provide guaranteed performance. This provides a solution for scientists to purchase optimal workstations and clusters for running GPU AMBER (and regular CPU AMBER simulations as well.) |
"Working closely with Exxact to develop certified AMBER GPU systems has been a pleasure. Their flexibility and responsiveness has allowed us to jointly optimize these computing platforms that, I believe, deliver transformative increases in performance for molecular dynamics simulation to every lab without the complexities of needing to validate the GPU computing hardware."
- Ross Walker, AMBER Principal Developer, San Diego Supercomputer Center, UC San Diego
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| > AMBER Recommended Hardware Partner for GPU Acceleration |
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AMBER 16 Exxact Optimized
Exxact AMBER Certified AMBER MD Workstations and Clusters, in addition to being numerically validated using custom GPU validation suites, also come with an optimized version of AMBER 16 that has been developed in a collaboration between lead AMBER developer Ross Walker, NVIDIA and Exxact. The combination of these optimizations and Exxact hardware with NVIDIA Maxwell (GTX 980, GTX 980TI, Titan X, M40 and M60) provides performance for all AMBER PMEMD GPU simulations, explicit solvent and implicit solvent, that is between 15 and 25% faster than achievable on systems from other vendors while providing bitwise identical results. AMBER Certified MD System Highlights
As the sole provider of AMBER Certified MD Systems, Exxact develops turnkey solutions in collaboration with key AMBER developers to provide value-add systems for GPU accelerated Molecular Dynamics simulations. |
| AMBER Certified Entry-Level Workstation |
AMBER Certified Mid-Level Workstation |
AMBER Certified High-End Workstation |
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| Quantum TXR500-032R | Quantum TXR433-0064R | Quantum TXR434-0064R | |
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| Ideal for Graduate Students | Ideal for Researchers | Maximum Performance | |
| • 1x Intel Core i7-5930K CPU • 1x NVIDIA GTX 1070/1080 (Pascal) or Tesla K40/K20 GPU • Upgrade option: NVIDIA TITAN X (Pascal), Quadro GP100, Quadro P6000, Quadro P5000 • Up to 32 GB DDR4 2133MHz system memory • 4x 3.5" Internal Fixed Drive Bays • AMBER16 + AmberTools17 preinstalled, tested and optimized • CentOS 6 / CentOS 7 • 3 year warranty |
• 2x Intel Xeon E5-2620 v4 CPUs • 2x NVIDIA GTX 1070/1080 (Pascal) or Tesla K80/K40 GPUs • Upgrade option: NVIDIA TITAN X (Pascal), Quadro GP100, Quadro P6000, Quadro P5000 • Up to 64 GB DDR4 2133MHz system memory • 8x 3.5" Hot-Swap Drive Bays • AMBER16 + AmberTools17 preinstalled, tested and optimized • CentOS 6 / CentOS 7 • 3 year warranty |
• 2x Intel Xeon E5-2640 v4 CPUs |
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| AMBER Certified Mid-Level Workstation |
AMBER Certified High-End Workstation |
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| Quantum TXR410-1024R-LFE | Quantum TXR410-1024R-LFE2 | |
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| Ideal for Researchers | Maximum Performance | |
| • 2x Intel Xeon processor Scalable family • 2x NVIDIA GTX 1070/1080 (Pascal) or Tesla K80/K40 GPUs • Upgrade option: NVIDIA TITAN X (Pascal), Quadro GP100, Quadro P6000, Quadro P5000 • Up to 64 GB DDR4 2133MHz system memory • 8x 3.5" Hot-Swap Drive Bays • AMBER16 + AmberTools17 preinstalled, tested and optimized • CentOS 6 / CentOS 7 • 3 year warranty |
• 2x Intel Xeon processor Scalable family |
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| AMBER Certified High Performance GPU Server |
AMBER Certified High Performance GPU Server |
AMBER Certified High Density GPU Server |
| Quantum TXR231-1000R | Quantum TXR216-1024R | Quantum TXR430-0768R |
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• 2x Intel Xeon E5-2600 v4 CPUs |
• 2x Intel Xeon processor Scalable family |
• 2x Intel Xeon E5-2600 v4 CPUs |
| Contact Us for Price | Contact Us for Price | Contact Us for Price |
| View Spec | View Spec | View Spec |
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AMBER Certified |
AMBER Certified |
| Quantum TXR413-1500R | Quantum TXR413-1536R |
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• Full P2P communication between 10x PCIe devices |
• Full P2P communication between 10x PCIe devices |
| Contact Us for Price | Contact Us for Price |
| View Spec | View Spec |
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• GPU Options: NVIDIA Tesla P100, V100, P40, M40, K80, K40
• AMBER16 + AmberTools17 preinstalled, tested and optimized
• Optional InfiniBand QDR Switch & HCAs
• Bright Computing Cluster Manager
Request a Quote for a customized AMBER Certified cluster today!.
Exxact is also offering a special opportunity to remotely simulate your molecule file using a Kepler-based systems for free. No obligations or strings attached. The Exxact test drive program will provide you GPU computing systems with AMBER 16 that are thoroughly tested to ensure interoperability. Sign up now to experience the acceleration.