Machine for J-OCTA | Information dissemination media for research and development TEGAKARI

A customer involved in material strength research asked us about a workstation for molecular dynamics calculations.
I would like a configuration with better specs than my current workstation.
The main purpose is to use J-OCTA, and due to the specifications of the software, molecular dynamics analysis can only be performed on a CPU, so CPU performance must be emphasized.

In addition, the specifications of the workstations used and the conditions desired for the workstations to be newly introduced are as follows.

■ Specifications of existing workstations

・CPU: Xeon E5-2650 x2
・ Memory: 64GB
・Storage: HDD 1TB (+ external HDD 6TB)
・Video card: NVIDIA Quadro K420
・OS: Windows 8.1 Pro

■ Requirements for new workstations

・CPU: 40 threads or more is ideal or clock is 2.3GHz or more
・Memory: 32GB or more
・Storage: About 1TB SSD is desired
・Video: Same as existing workstations
・OS: Windows 10 (J-OCTA compatible version)

Based on the conditions you contacted us, we proposed the following configuration.

CPU	Xeon W7-2475X (2.60GHz 20 cores)
memory	64GB REG ECC
Storage 1	1TB SSD S-ATA
Storage 2	8TB HDD S-ATA
video	NVIDIA T400 4GB MiniDisplayPort x3
network	on board (2.5GbE x1 /10GbE x1)
Housing + power supply	Tower type housing + 1000W
OS	Microsoft Windows 10 Professional 64bit

Emphasizing CPU performance, this configuration uses a 2400-core model of the Xeon W-20 series.
All cores support Hyper Threading, so they are treated as 40 threads on the system.

If you want to lower the cost even if you lower the CPU specs, there is also the option of Core i9-13900K. It has more performance than the Xeon E5-2650 and has 24 cores, but the number of threads is 32 due to the architecture.It seems that it will be a comprehensive judgment with cost and usage, so please consider it as one option according to your priority conditions.

In addition, when comparing Xeon E5-2650 x2 and Xeon W7-2475X x1 based on general benchmark software scores, W2-7X is superior with a score difference of nearly double.

The video card uses the current T420 as a replacement for the Quadro K400.

The OS is Windows 10 according to your specification.At the time of notification, it is possible to upgrade to Windows 11 free of charge, so if J-OCTA supports Windows 11, the OS can be upgraded.Regarding this point, please check Microsoft's announcement when the upgrade is actually necessary.

The configuration of this case study is based on the conditions given by the customer.
Please feel free to contact us even if you are considering different conditions from what is posted.

■ Keywords

・What is J-OCTA?
J-OCTA is a multi-scale simulation platform for structural materials.By inputting the chemical composition and heat treatment conditions of the material, the microstructure and properties of the steel material are calculated by multi-scale simulation based on first-principles calculation.The calculated information can be used as a material model for CAE, and can be used to improve the accuracy of structural analysis.Since it is possible to analyze a wide range of time and space scales from the atomic scale to the mesoscale, it is possible to predict material behavior with unprecedented precision.