machine for molecular structure analysis

A customer who conducts research and development of chemical products asked us for a machine for analyzing the molecular structure of materials with Gaussian/Gaussview.
Based on the following conditions, we would like to purchase from a manufacturer that seems to be satisfied with the support.

CPU: Intel CPU with 32 or more cores and a score of Xeon Gold 5220 or higher
Memory: 128GB or more (preferably expandable)
C drive: SSD of 1TB or more
D drive: SSD of 1TB or more
GPU: NVIDIA product used for calculation with specs of NVIDIA Quadro P620 or higher
Including maintenance and inspection costs

In our proposal, we proposed the following points.

【Main Specifications】

CPU Xeon Goldr 6326 (2.90GHz 16 cores) x2
memory 128GB
Storage 1 1TB SSD S-ATA
Storage 2 1TB SSD S-ATA
Video Nvidia T1000
network On Board (1000Base-T X2)
Housing + power supply Tower housing + 850W
OS Microsoft Windows 11 Pro 64 bit
Other TPM module
"Anshin +" 5 years pick-up repair

[About CPU]
Equipped with two third-generation Xeon Gold, a total of 3 cores were implemented.

■ Points
・Although you can select products with 1 cores or more with one CPU,Costs can rise.
・In this example, a 2CPU configuration was adopted after considering the balance between cost and specifications.
・In the case of 2 CPU configuration, the number of memory slots increases.The advantage is that there is more room for expansion.

For the time being, the proposal assumes 32 cores, which is the lower limit of the conditions, but if you need more cores, please contact us.

[About memory]
The memory has 8 empty slots in the factory configuration.

■ Points
・By adding the same memory as the one installedExpandable up to a total of 256GB.
・If you remove the initial memory and replace it,Expandable up to 2TB.

[About video card]
For the video card, we have selected the T1000, which is close to the specified conditions in the current lineup.

■ Points
・The card selection criteria differ depending on the meaning of "used for calculation purposes."
 → "workstation video card” meaning, there is no problem with the T1000.
 → "Video card used for GPGPUIf it means ", the performance is insufficient in T1000.

If you plan to use GPGPU, we will select a suitable video card, so please contact us.

[About support]
Regarding maintenance and inspection, we did not receive detailed requests at the time of inquiry, so as a starting point, we have added the contents of "Anshin + 5 years return repair" as a guide.
Our basic warranty is for pick-up and repair.We can customize the warranty according to your needs, such as on-site maintenance or remote support using TeamViewer.
Please feel free to contact us regarding installation and operation check at the time of delivery.

■FAQ

・What is 3rd generation Xeon Gold?
Xeon is one of Intel's CPU brands and is a product group for machines that require high performance such as servers and workstations.
The 3rd generation Xeon Scalabele processors have improved core performance, clocks and I/O bandwidth over previous generations.
There are four variations of Xeon Scalable: 'Bronze', 'Silver', 'Gold' and 'Platiunm', with Gold supporting up to 4 or 2 CPU configurations. (depending on grade)

・What is GPGPU?
GPGPU (General-purpose computing on graphics processing units) is also known as GPU computing.It refers to technology that applies the computing power of the video card used for image processing to other uses.
GPUs are good at repeatedly executing simple operations in parallel, and are actively used in various fields such as big data analysis, simulation, machine learning, and AI, taking advantage of this property.

・What is TeamViewer?
TeamViewer is remote control software used for various purposes such as remote support for inside and outside the company, remote access to remote terminals, web conferences and presentations.It is the market share No. 25 product installed on more than 1 billion terminals worldwide.
TeamViewer licenses are also available at our Unipos Division.