Recent News about Amber and AmberTools

From Ross Walker:

A number of updates have been made to the GPU code recently that include adding support for CUDA 5.5 as well as NVIDIA's latest GTX-Titan and GTX-780 GPUs. In addition the AMBER GPU webpage has been updated with new information regarding optimum ways to run, best practices, a completely overhauled Exxact AMBER Certified MD Workstation program and updated benchmarks to match.

From Ross Walker:

Updated benchmarks have been published for the AMBER GPU Code including Kepler K20 and K20X GPUs: K20 Benchmarks

Updates have been made to the recommended hardware for running GPU AMBER: Recommended GPU Hardware

From Ross Walker:

In response to feedback from a number of users we have worked with Exxact Corporation to design a series of machines termed AMBER MD Workstation and AMBER MD SimCluster that are optimized for both price and performance when running GPU accelerated AMBER Simulations. The following page provides details of recommended machine configurations and benchmarks. This includes opportunities for free test drives where you can try out your own simulations on these machines.

  Recommended GPU Hardware & Test Drives page for more information.
 

AMBER MD Workstations AMBER MD SimCluster
Kepler K10 MD Workstation Kepler GTX680 MD Workstation Kepler MD SimCluster (K10 or GTX680)

2 Intel Xeon E5-2660 8-Core CPUs
4 Tesla K10 8GB GPUs (8 x 4GB GPUS!)
64 GB 1600MHz system memory
AMBER12 preinstalled
CentOS
3 year warranty

2 Intel Xeon E5-2660 8-Core CPUs
4 GeForce GTX 680 4GB GPUs
64 GB 1600MHz system memory
AMBER12 preinstalled
CentOS
3 year warranty

8U cluster (4 x 2U)
2 Intel Xeon E5-2660 8-Core CPUs per node
4 Tesla Kepler GPUs (K10 or GTX680) per node
64 GB 1600MHz system memory per node
AMBER12 preinstalled23,558a
Optional InfiniBand QDR Switch & HCAs
Bright Computing Cluster Manager
full warranty (even with GTX680s)

 

($5000 - $18000)
As shown ~$15,
400

($3000 - $8000)
As shown ~$7,600

Price varies