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

ABINIT

8.10.3

https://www.abinit.org/packages

PNETCDF

1.9.0

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

NETCDF-C

4.7.0

https://codeload.github.com/Unidata/netcdf-c/tar.gz/refs/tags/v4.7.0

NETCDF-Fortran

4.4.5

https://codeload.github.com/Unidata/netcdf-fortran/tar.gz/refs/tags/v4.4.5

AtomPAW

4.0.10

https://www.abinit.org/fallbacks

BigDFT

1.7.1.25

https://www.abinit.org/fallbacks

LibXC

3.0.0

https://www.abinit.org/fallbacks

Wannier90

2.0.1.1

https://www.abinit.org/fallbacks

HDF5

1.10.1

https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.1/src/hdf5-1.10.1.tar.gz

OpenBLAS

0.6.3

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

测试算例

tbasepar_1.files

软件自带测试算例。

openEuler

openEuler 21.03

https://www.openeuler.org/zh/download

Kernel

4.17

包含在操作系统镜像中。