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  6. [Research and Development PC Configuration Example] Machine for Metal Complex Calculations

[Research and Development PC Configuration Example] Machine for Metal Complex Calculations

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Case No. PC-10461

last updated:Dec 24, 2022

テガラ
テガラ
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This is an example of a machine for calculating metal complexes, designed for use with the scientific computing software "Gaussian."

This is a machine designed for calculations of metal complexes using Gaussian. Based on the customer's consultation, it is generally assumed that 8 CPU cores will be used, and there may be cases where two calculations are performed simultaneously as needed, with a total of 20 threads being sufficient for the entire CPU. Our proposal is to configure a system with higher CPU performance within the budget. The CPU is equipped with the Ryzen 9 7950X, the top model of the Ryzen 7000 series, which has 16 cores (32 threads). There are lower models with 12 cores/24 threads, but the Ryzen 9 7950X has a higher maximum clock speed when the boost clock is activated, so we have selected it with an emphasis on CPU speed. The configuration in this case is based on the conditions provided by the customer. If you are considering different conditions than those listed, please feel free to consult with us.

    Desktop PC
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[Research and Development PC Configuration Example] Machine for Metal Complex Calculations

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  • Related Link - https://www.tegsys.net/case/example/15313/

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CPU: AMD Ryzen 9 7950X (4.50GHz 16 cores) Memory: 64GB Storage: 2TB SSD S-ATA Video: NVIDIA T400 Network: on board (2.5G x1 10/100/1000Base-T x1) Wi-Fi x1 Case + Power Supply: Mid-tower case + 850W OS: None

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Applications/Examples of results

Molecular dynamics calculations Use of the scientific computing software "Gaussian"

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Case No. PC-10461: Machine for Calculating Metal Complexes

Case No. PC-10461: Machine for Calculating Metal Complexes

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テガラ

テガラ

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Tegara Corporation is forming a research and development platform that integrates specialized product procurement and sales, information provision, and support services for researchers and developers nationwide. In the field of research and development, where speed holds value, it is Tegara's mission to assist our customers in accelerating their research and development efforts, thereby contributing to the advancement of research and development in Japan and around the world. To remain a strong partner for researchers and developers, our company continuously hones new technologies and strengthens our support system every day.

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