Case No.PC-10461We received inquiries from customers regarding the optimal workstation configuration for first-principles calculations and machine learning.
The budget is around 75 yen, and we plan to use the software "WIEN2k version 23.2" and "FPLO 14.0".
Additionally, since parallel computing performance of the CPU is important, we request a CPU with at least 32 to 40 threads.
The memory requirement is to allocate 1GB or more per core to match the CPU.
Based on the information we received from our customers, we have proposed the following specifications.
| CPU | AMD Ryzen9 7950X (4.50GHz 16 cores) |
| memory | 128GB |
| storage | 2TB SSD S-ATA |
| Video | NVIDIA RTX A4500 20GB |
| network | on board(2.5G x1 10/100/1000Base-T x1) Wi-Fi x1 |
| Housing + power supply | Middle tower type housing + 1000W |
| OS | None |
Selecting a CPU with emphasis on parallel computing performance within your budget
This is a configuration based on the configuration of PC-10461, with some parts changed to suit your budget.
The CPU is equipped with Ryzen10461 7000X, the top model of the Ryzen 9 series, as in case No. PC-7950. Ryzen9 7950X is equipped with 16 cores and 32 threads, so you can expect high parallel computing performance.
Additionally, changes from Case No. PC-10461 include memory capacity and video card.
The memory capacity is 1GB with 4GB per thread x 32 threads, depending on the customer's wishes.
Additionally, in consideration of its use in machine learning, the video card has been changed to an NVIDIA RTX A4500 20GB, a mid-spec model for workstations.
The configuration of this case study is based on the conditions given by the customer.
We will flexibly propose machines according to your conditions, so please feel free to contact us even if you are considering different conditions than what is listed.
Keyword・What is WIEN2k? WIEN2k is a band structure calculation program using the (L)APW+lo method developed by a professor at the Institute of Materials Science at the Vienna University of Technology. It consists of a number of independent Fortran90 programs linked together via C-Shell scripts.It is an all-electron scheme that includes relativistic effects and has many functions. Operation from webUI is also possible. ・What is FPLO? FPLO is a package for first-principles calculations based on localized basis/all-electron calculation methods. By minimizing the size of the basis functions and emphasizing accuracy, high-precision full potential calculations for basic cells of up to 300 atoms can be performed on a single CPU machine. |
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