WIEN2k pre-installed machine standard configuration (October 2023 version)

Case No.PC-9134BA customer who viewed this site asked us about installing a workstation.
The application will be high-temperature XAFS experiments on nuclear materials, and there are plans to also conduct theoretical calculations.
Specifically, we plan to use the solid state electronic structure calculation program package ``WIEN2k'' to handle core excitations.
We also received a request for delivery with WIEN2k pre-installed and ready for immediate use.

Based on this information, we propose the following configuration.

CPU Intel Xeon W5-2465X (3.10GHz 16 cores)
memory 128GB REG ECC
Storage 1 2TB M.2 SSD
Storage 2 8TB HDD S-ATA
video NVIDIA T400 4GB
network on board (2.5GbE x1 /10GbE x1)
Housing + power supply Tower type housing + 1000W
OS Ubuntu 20.04
Others WIEN2k preinstalled

This is a configuration example using current generation parts based on case No. PC-9134B.
WIEN2k is preinstalled and you can start WIEN2k as soon as you turn on the power.turnkey systemWe have proposed a configuration as

The Intel Core i9134 9XE used in the PC-10980B is an older generation, so we adopted its successor, the Intel Xeon W2400-5X from the Xeon W-2465 series. Xeon W5-2465X is a 16-core product and is effective for parallel processing with WIEN2k.

The configuration other than the CPU matches the configuration of PC-9134B, but can be changed as desired.

Regarding main memory, it is recommended to secure around 1GB per CPU core, so the total memory capacity is 4GB.

Please refer to here for the configuration that has been upgraded from this configuration.

PC-11238B WIEN2k machine recommended configuration (October 2023 version)

Click here for details on WIEN2k.

■ WIEN2k program creator website
■Overseas product procurement and consultation service for research and development Unipos “WIEN2k”

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.

■ Keywords

・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.

reference:Wien2k *Jumps to an external site