环境要求

CPU

鲲鹏920处理器

毕昇编译器和Hyper MPI

24.0.RC1

https://www.hikunpeng.com/developer/hpc/hpckit-download

VASP

5.4.4

https://www.vasp.at/

FFTW

3.3.8

http://www.fftw.org/download.html

OpenBLAS

0.3.6

https://github.com/xianyi/OpenBLAS/tree/v0.3.6

ScaLAPACK

2.0.2

http://www.netlib.org/scalapack/

VTST

179

http://theory.cm.utexas.edu/code/vtstcode-179.tgz

Wannier90

1.2

http://www.wannier.org/code/wannier90-1.2.tar.gz

测试算例

vasp.Hg

-

openEuler

openEuler 21.03

https://repo.openeuler.org/openEuler-21.03/

Kernel

4.14.0-115

包含在操作系统镜像中。