At-a-Glance
Through a partnership with Exxact Corporation, we offer a powerful, integrated platform for MedeA atomistic simulations running VASP, LAMMPS and related MedeA modules on NVIDIA Graphical Processing Units (GPUs) and Intel or AMD CPUs. State-of-the-art hardware and design bring affordable, high-performance computing out of the data center and into your office. Optionally, the MedeA materials simulation environment can be pre-installed on the system prior to shipment and is ready to run.
You can also connect to your HPC hardware from a laptop or desktop running the MedeA user interface, where the HPC hardware only hosts the MedeA JobServer and TaskServer services.
Key Benefits
Note
We focus here on state-of-the-art GPU-based workstations, but Exxact can also provide HPC data center hardware to run MedeA software, such as CPU and GPU clusters.
Materials Design is proud to partner with Exxact Corporation to supply cost-effective HPC hardware for materials simulations. We collaborate on validating and benchmarking MedeA software on Exxact’s systems.
Exxact Corporation was founded in 1992, and provides technology solutions that enable many of the world’s top national laboratories, research institutes, universities, startups, and Fortune 1000 companies to conduct cutting-edge artificial intelligence, drug discovery, and advanced engineering simulations, while also powering a host of other HPC, datacenter, and visualization applications.
Figure 3 Examples of Exxact VASP Optimized GPU Workstation Tower(a), Rack Mountable GPU Workstation (b), and 4U GPU Server (c)
As computational challenges increase in complexity, Materials Design works with Exxact engineers to provide the right balance of computation, networking, storage, and memory in order to deliver cost effective and reliable simulation performance.
Exxact corporation’s extensive HPC expertise and unparalleled customer support allows customers to increase and sustain their computational infrastructure through personalized service, life cycle management, product allocation, and end-of-life product sourcing.
With the MedeA materials simulation environment preinstalled, you can simply unpack your system, connect monitor, keyboard, and mouse, plug it in; and start modeling at a remarkable level of performance, all under your own control, with or without a dedicated data center.
Exxact Corporation MedeA configurations can be designed to be quiet and energy efficient, plug into a standard wall socket, and not require special cooling.
Exxact Corporation systems provide high efficiency for all engines supported by the MedeA Environment: :
A typical configuration can provide a peak performance of well over 3 TFLOPS, is expandable through the addition of compute nodes or GPUs, is accessible via a VPN for secure remote access, and supports access to the MedeA simulation environment via laptop or desktop MedeA clients.
A single workstation in a standard tower case with up to 4 GPUs, up to 56 CPU cores.
Property/Device | Value |
---|---|
CPU processor | 1x Intel Xeon W-3400 Series |
GPU | Supports 4x NVIDIA RTX 6000 Ada or 2x RTX 4090/4080 GPUs |
Memory | Up to 2TB DDR5 ECC Memory |
MedeA | Version 3.x (most recent) |
A single workstation in a 2U rack mount chassis with 64 to 128 cores.
Property/Device | Value |
---|---|
CPU processor | Intel Xeon W-3400 |
GPU | Up to 4x Double-Wide GPUs: RTX 6000 Ada, A800, etc. |
Memory | 8 DDR5 ECC DIMMs (up to 2TB) |
Storage | 2x 3.5” and 4x 2.5” Internal Drives |
Interconnect | 1GBASE-T + 10GBASE-T |
MedeA | Version 3.x (most recent) |
An HPC server in a 4U rack mount chassis with 64 to 128 cores.
Property/Device | Value |
---|---|
CPU processor | 2x AMD EPYC 7003/7003X CPUs |
GPU | Up to 8x Double Wide GPU: H100, RTX 6000/5000 Ada, and more |
Memory | 16 DDR4 ECC DIMM Slots (Up to 4TB) |
Storage | 8x 3.5” Hot-swap (4x SATA, 4x NVMe) |
MedeA | Version 3.x (most recent) |
Call for additional specs and recommendations.
To be completed
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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