环境要求

CPU

鲲鹏920处理器

Abinit

8.10.3

https://www.abinit.org/packages

AtomPAW

4.0.1.0

https://www.abinit.org/fallbacks

BigDFT

1.7.1.25

https://www.abinit.org/fallbacks

OpenBLAS

0.3.6

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

libXC

3.0.0

https://www.abinit.org/fallbacks

PNETCDF

1.9.0

https://parallel-netcdf.github.io/wiki/Download.html

NETCDF-C

4.7.0

https://www.unidata.ucar.edu/downloads/netcdf/index.jsp

NETCDF-Fortran

4.4.5

https://github.com/Unidata/netcdf-fortran/releases/tag/v4.4.5

HDF5

1.10.1

http://hdfgroup.org/HDF5/

Wannier90

2.0.1.1

https://www.abinit.org/fallbacks

测试算例

tbasepar_1.files

软件自带测试算例。

CentOS

7.6

https://www.centos.org/download/