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

Case No.PC-9134CA 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 Gold 6426Y (2.50GHz 16 core) x2
memory 128GB REG ECC
Storage 1 2TB M.2 SSD
Storage 2 8TB HDD S-ATA
video NVIDIA T400 4GB
network on board (10GBase-T x2)
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-9134C.
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 Xeon Gold 9134 used in the PC-6326C is an old generation, so we adopted its successor, the 4th generation Xeon Scalable series Intel Xeon Gold 6426Y.Because it has a dual CPU configuration with a total of 32 cores, you can expect high parallel performance with WIEN2k.

The specifications other than the CPU are based on the PC-9134C, but can be changed according to your request.

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

Click here for a configuration that is cheaper than this configuration.

PC-11238A WIEN2k machine standard 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