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.

Picture of MedeA Instrument

Figure 3 MedeA Instrument is about the size of a two drawer file case.

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

Characteristics/Specifications

Property/Device Value
Dimensions (W x H x D) 21 x 26 x 22 ” / 535 x 660 x 560 mm
Weight 65 lbs / 30 kg (single node), 90 lbs / 40.8 kg (2 nodes)
Voltage 110-240 V
Power 1300 W, 12 A @ 110 V, 6 A @ 240 V
Headnode 4-core Intel Xeon E5-1620, 32 GB Memory, 2x 2TB Raid1 SSHD, GT610 Graphics card
Compute Nodes 1 or 2 with 4 processors each
Processors 4 x Xeon E5-2630v4 (40 cores total), 240 GB SSD local disk
Compute cores 80 (standard), or up to 176
Memory 256 GB per physical node
Expansion Slots 6 x16 PCIe 2.0 (3 per node)
Storage SSD System Disk
LAN 10 GB/s Ethernet Public Network
Firewall Cisco VPN Router or similar
Cluster Software Rocks 7.0
Operating System CentOS 7.4
Queuing System PBS/TORQUE or Slurm
Monitoring Ganglia 3.7.2
MedeA Version 2.22 or most recent

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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