Molecular structure analysis workstation

We were consulted by a client who was considering setting up a computational environment for molecular structure analysis using Amber and R.
The client requested a quote for a basic configuration of Xeon Gold 5512U, four 16GB DDR5-5600 DDR5 ECC memory, two 480GB SSDs, and Ubuntu 22.04 LTS, including rack installation and a three-year warranty.
The requirement also includes the installation of a RAID card so that SSDs can be added in the future to create a RAID.

CPU	Intel Xeon 6731P 2.50GHz (TB max 4.10GHz) 32C/64T
memory	Total 64GB DDR5 6400 REG ECC 16GB x 4
storage	480GB SSD S-ATA x2
Video	On Board (VGA x1)
network	on board (1GbEx1, 10GbEx1)
Housing + power supply	2U rackmount chassis with 1200W redundant power supply
OS	Ubuntu 22.04
Others	3-year send-back warranty Rack mount slide rails SAS/SATA RAID card On-site installation (unpacking, racking, cabling, startup check)

About CPU

To meet customer needs, we have adopted the latest 6th generation Xeon processor, the Intel Xeon 6731P (32 cores/64 threads).
High parallel processing performance enables high processing performance in molecular analysis and statistical analysis software such as Amber and R.

Memory configuration

It is equipped with 64GB (16GB x 4) of DDR5-6400 REG ECC memory.
High-speed and reliable memory ensures stable analysis processing.

Storage and RAID Configuration

It is equipped with two 480GB SSDs (SATA) and a RAID card.
The initial shipping state is "no RAID configuration", but it is a configuration that allows for RAID configuration in the future.

Expandability and chassis size

The 2U rack-mount chassis allows storage to be replaced or expanded using bays on the front and rear of the chassis.
It is also expandable to accommodate future storage expansion.

OS and warranty

It comes pre-installed with Ubuntu 22.04 LTS and comes with a 3-year send-back warranty.
This proposal includes on-site installation (unpacking, rack installation, and startup check), so you can start using it immediately after installation.

For those who are active in these fields Molecular dynamics Statistical analysis Bioinformatics Medical science Biology

Tegara's custom-made PC production service not only caters to initial use, but also supports system expansion in anticipation of future expansion of research scale.
We not only propose configurations that meet various software requirements, but also accept consultations regarding the construction of an entire research environment.
Please feel free to contact us and we will provide the best solution to suit your needs.

Keyword ・What is Amber? Amber is a computational chemistry software that can perform molecular dynamics (MD) simulations with high accuracy and speed. It supports GPU acceleration, allowing efficient execution of long-term simulations of large-scale biomolecular systems. It is widely used for structural analysis and free energy calculations of proteins, nucleic acids, lipids, etc., and achieves dramatic speedups compared to conventional CPU-based calculations through parallel computing using CUDA-compatible GPUs. Reference: Amber GPU Performance Benchmarks – ambermd.org

■ Click here for details and inquiries about this PC case Molecular structure analysis workstation * Please enter the name of the case or your desired conditions.