Amber18 (Amber18 + AmberTools18) is now available.
Prof. Ross Walker gives the Official numbers of Amber 18 running on RTX-2080Ti.
Figure by Prof. Ross Walker

” I personally verify all LinuxVixion machines ”
Prof. Ross Walker
GPU Accelerated for Faster Amber Simulation
Amber18 and AmberTools18 were released on 17 April 2018 !!

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. LinuxVixion, S.L. 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.
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.)

AMBER Certified MD System Highlights

As the sole provider of AMBER Certified MD Systems, LinuxVixion, S.L. develops turnkey solutions in collaboration with key AMBER developers to provide value-add systems for GPU accelerated Molecular Dynamics simulations.

• Designed to meet the requirements for atomistic molecular dynamics simulations
• Guaranteed to be optimized to meet or exceed the published performance numbers
• Preinstalled AMBER GPU computing solutions, designed in collaboration and genuinely certified by AMBER Developers
• Includes example job submission scripts, benchmarks, fully validated test suite and latest software patches for quick implementation
• Save time installing, optimizing, benchmarking and validating and instead do more science
• Fully customizable to meet your budget

“Working closely with LinuxVixion, S.L. 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, Director of Walker Molecular Dynamics and Adjunct Professor, Department of Chemistry and Biochemistry UC San Diego, La Jolla, CA. (USA)

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