This is a configuration example assuming band structure calculation using the solid electronic structure calculation program package "WIEN2k" using the DFT method (density functional theory).
This configuration is configured as a specification that prioritizes parallel performance with a budget of 2 million yen when using WIEN100k. Since parallel performance is very important for WIEN2k, we have installed two 16-core CPUs for a total of 2 cores.
In addition, since it is recommended to secure about 1GB of main memory per core, the total memory capacity is set to 4GB.
【Main Specifications】
| CPU | Xeon Gold 6326 (2.90GHz 16 cores) x 2 |
| memory | 128GB |
| Storage 1 | 2TB M.2 SSD |
| Storage 2 | 8TB HDD S-ATA |
| Video | Nvidia T400 |
| network | On Board (1000Base-T X2) |
| Housing + power supply | Tower type housing + 1000W |
| OS | Ubuntu 20.04 |
We can also propose configurations that take advantage of parallelization, so please contact us if you wish.
Click here for details on WIEN2k.
■ WIEN2k program creator website
■ Individual electronic structure calculation program "WIEN2k"
In addition to this configuration, we also accept sales and installation of licenses.
Please feel free to contact us for customization according to your needs such as budget and additional conditions.
* There is also a configuration that costs less than this configuration.
Machine entry configuration for WIEN2k
Machine standard configuration for WIEN 2k
[Reference information] Special articles related to materials (materials, materials, devices)
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■ Click here for details and inquiries about this PC case |
