---
title: 编译和安装
description: "1. 使用PuTTY工具，以root用户登录服务器。"
url: https://www.hikunpeng.com/document/detail/zh/kunpenghpcs/hpcindapp/prtg-osc/kunpengabinit_02_0011.html
sourcePath: /source/zh/kunpenghpcs/hpcindapp/prtg-osc/kunpengabinit_02_0011.html
indexId: 5ceb630b9fca353ead88de79178ec56c558b825a6bdcc57612be9b77e58b0c5568
---
# 编译和安装

#### 操作步骤

1. 使用PuTTY工具，以root用户登录服务器。
2. 执行以下命令设置环境变量。

```
export MPI_HOME=$MPI_DIR
export CPPFLAGS=" -I
/path/to/HDF5
/include -I
/path/to/PNETCDF
/include -I
/path-to/NETCDF
/include -I$MPI_HOME/include"
export CFLAGS=" -I
/path/to/HDF5
/include -I
/path/to/PNETCDF
/include -I
/path-to/NETCDF
/include -I$MPI_HOME/include "
export CXXFLAGS=" -I
/path/to/HDF5
/include -I
/path/to/PNETCDF
/include -I
/path-to/NETCDF
/include -I$MPI_HOME/include "
export FCFLAGS=" -I
/path/to/HDF5
/include -I
/path/to/PNETCDF
/include"
export FFLAGS=" -I
/
path/to/HDF5
/include -I
/path/to/PNETCDF
/include"
export LDFLAGS=" -L
/path/to/HDF5
/lib -L
/path/to/PNETCDF
/lib -L
/path/to/NETCDF
/lib"
```


3. 执行以下命令创建第三方数学库安装包存放目录“extral”。

```
cd
/path/to/ABINIT
mkdir extral
```


4. 将以下软件包上传到“extral”目录下。

  - atompaw-4.0.1.0.tar.gz
  - bigdft-1.7.1.25.tar.gz
  - libxc-3.0.0.tar.gz
  - wannier90-2.0.1.1.tar.gz
5. 执行以下命令解压ABINIT安装包。

```
tar -zxvf abinit-8.10.3.tar.gz
```


6. 执行以下命令进入解压后的目录。

```
cd abinit-8.10.3
```


7. 执行以下命令创建并进入ABINIT软件编译目录。

```
mkdir build
cd build
```


8. 执行以下命令进行配置。

```
../configure FC=mpif90 --enable-mpi --with-mpi-prefix=
/path/to/OPENMPI
/ --with-dft-flavor="libxc+atompaw" --with-trio-flavor="netcdf" --with-tardir=
/path/to/ABINIT
/extral
--with-netcdf-incs="-I
/path/to/NETCDF
/include" --with-netcdf-libs="-L
/path/to/NETCDF
/lib -lnetcdf -L
/path/to/NETCDF
/
lib -lnetcdff" FCFLAGS="-g -O2 -ffree-line-length-none" --with-linalg-libs="-L
/path/to/OPENBLAS
/ -lblas -llapack"
```


9. 执行以下命令进行编译安装。

```
FC=mpif90 CC=mpicc CXX=mpicxx make multi multi_nprocs=96
```


10. 执行以下命令添加环境变量。

```
export ABI_TESTS=
/path/to/ABINIT
/abinit-8.10.3/tests/
export ABI_TUTORIAL=$ABI_TESTS/tutorial/
export ABI_TUTORESPFN=$ABI_TESTS/tutorespfn/
export ABI_TUTOPARAL=$ABI_TESTS/tutoparal/
export ABI_TUTOPLUGS=$ABI_TESTS/tutoplugs/
export ABI_PSPDIR=$ABI_TESTS/Psps_for_tests/
export PATH=
/path/to/ABINIT
/abinit-8.10.3/build/src/98_main/:$PATH
```