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GPU Test Drive for GROMACS

GPU Accelerated for Faster GROMACS
A transformation is underway in life sciences research. GPUs are revolutionizing the user experience, enabling researchers to address the world’s most challenging problems faster than ever before. GPUs are a powerful extension of the CPU in a system. The CPU handles all the everyday tasks, while the GPU delivers a performance boost when needed for more demanding apps.
GPU Performance
GROMACS 4.6 Alpha Release - Absolute Performance
Benchmark systems: RNAse in water with 24040 atoms in cubic and 16816 atoms in truncated dodecahedron box
Settings: electrostatics cut-off auto-tuned >0.9 nm, LJ cut-off 0.9 nm, 2 fs and 5 fs (with vsites) time steps
Hardware: workstation with 2x Intel Xeon X5650 (6C), 4x NVIDIA Tesla C2075
GROMACS 5.0.5 - Absolute Performance
Free GPU Test Drive - Powered by NVIDIA Kepler GPUs and Intel Xeon E5-2600 Series CPUs
For GROMACS users, Exxact is 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 and registered applications that are thoroughly tested to ensure interoperability. Sign up now to experience the acceleration.

It's easy to try in three steps:
1. Register
2. Upload your data
3. Run your application and get faster results.
GPU Test Drive Systems:
Tesla K80 Workstation Kepler GTX 980 Workstation Kepler GPU Cluster
• 2x Intel Xeon E5-2660 v3 CPUs
• 4x Tesla K80 24GB GPUs
• 64 GB 2133MHz system memory
• Over 22.40 TFLOPS Single Precision
• CentOS 7
• 2 Intel Xeon E5-2660 8-Core CPUs
• 4 GeForce GTX 980 GPUs
• 64 GB 1600MHz system memory
• CentOS 7
• 9U cluster; 1U head node (Dual E5-2660 v3
CPUs, 64GB DDR4)
• 2x Intel Xeon E5-2660 v3 CPUs per node
• 4x Tesla K80 24GB GPUs per node
• 64 GB 2133MHz system memory per node
• Over 89.60 TFLOPS Single Precision and
29.92 TFLOPS Double Precision
• InfiniBand QDR Switch & HCAs
• Bright Computing Cluster Manager
Ready to see your performance gains on Exxact GPU solutions?
Sign up now and try for free.
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