MedeA Instrument - Skip the Data Center - High-Performance Computing and Simulation Under Your Control

At-a-Glance

The MedeA ®[1] Instrument is a powerful, integrated platform for atomistic simulation. State-of-the-art hardware and design bring affordable, high-performance computing out of the data center and into your office. The MedeA Environment is installed and tested with the modules ready to run.

Key Benefits

  • Minimal setup time, with little to no IT
  • High-Performance Computing without the learning curve of Linux Clusters
  • MedeA Environment benefits, including job management and performance monitoring
  • Remote access from anywhere via configured virtual private network (VPN)
  • Quiet enough for the office, and needs no special cooling or electrical requirements
  • Fast, integrated support with a single vendor for tech support and scientific consulting on hardware, OS, and MedeA

Designed for Performance and Ease of Use

The MedeA Instrument arrives preinstalled: Simply unpack it: connect the monitor, keyboard, and mouse; plug it in; and start modeling at a level you never have before, all under your control with — no data center required.

The MedeA Instrument is designed to be quiet and energy efficient. It plugs into a standard wall socket, and does not need special cooling — if you are comfortable, then it is too.

MedeA Instrument Workstation

Figure 3 MedeA Instrument workstation is the size of a standard computer tower

Based on time to solution, and cost of equipment, our MedeA Instrument is about eight times more efficient than our other compute options.

— Chief Scientist, R&D Center

Key Features

Performs simulations with all engines supported by the MedeA Environment:

  • MedeA VASP — Vienna Ab-Initio Simulation Package
  • MedeA LAMMPS — Large-scale Atomic/Molecular Massively Parallel Simulator
  • MedeA GIBBS — Monte Carlo simulation for Fluid properties and Sorption
  • MedeA MOPAC — Molecular Orbital PACkage for fast screening of molecular systems and solids
  • MedeA Gaussian GUI — The standard in Computational Chemistry

Configurable stand-alone, or networked with other high-performance compute resources:

  • 80 cores in standard configuration, providing a peak of over 3 TFLOPS
  • Customizable Xeon-based architecture, with up to 176 cores
  • Expandable by adding compute nodes
  • Accessible via VPN for secure remote access
  • Connect from laptop or desktop MedeA clients

Reference Specifications

Workstation Tower

A single workstation in a standard tower case with 64 to 128 cores.

Property/Device Value
Dimensions (W x H x D) 29.8 x 25.6 x 23.6 inches / 25 x 65 x 60 cm
Weight 65 lbs / 29.5 kg (shipping)
Voltage 110-240 V; 50Hz to 60Hz, single phase; 1300W
Operating temperature 50- to 95-degrees F (10- to 35-degrees C)
Processors 2x AMD EPYC 7000-Series processors with up to 64 Cores (per CPU)
Compute cores 64 (standard), or up to 128
Memory 512 GB (standard), or up to 2048 GB
Expansion Slots 3 x PCIe 3.0 x8 (x8 mode)
Storage SSD System Disk
LAN 10 GB/s Ethernet
Operating System Ubuntu 18.04 (Bionic)
Monitoring Ganglia 3.7.2
MedeA Version 3.0 or most recent

Workstation Rack

A single workstation in a 2U rack mount chassis with 64 to 128 cores.

Property/Device Value
Dimensions (W x H x D) 17.24 x 3.46 x 32.68 inches / 43.8 x 8.78 x 83 cm
Weight 66 lbs / 30 kg (shipping)
Voltage 110-240 V; 50Hz to 60Hz, single phase; 1300W
Operating temperature 50- to 95-degrees F (10- to 35-degrees C)
Processors 2x AMD EPYC 7000-Series processors with up to 64 Cores (per CPU)
Compute cores 64 (standard), or up to 128
Memory 512 GB (standard), or up to 2048 GB
Expansion Slots 3 x PCIe 3.0 x8 (x8 mode)
Storage SSD System Disk
LAN 10 GB/s Ethernet
Operating System Ubuntu 18.04 (Bionic)
Monitoring Ganglia 3.7.2
MedeA Version 3.0 or most recent

Cluster Rack

A two chassis solution with a dual-core head node and four compute nodes. Runs 80 - 128 compute cores.

Call for additional specs.

Performance Monitoring

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Figure 4 Monitoring compute jobs and resources on the Instrument using Ganglia

Required Modules

  • MedeA Environment

Supported Modules

  • All MedeA components

Find Out More

Learn more about how MedeA can support your work through capabilities such as Databases, Builders, Compute Engines, Forcefields, Property Modules, Analysis Tools, and High-Throughput.

[1]MedeA and Materials Design are registered trademarks of Materials Design, Inc.
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