Configuration Description
Prerequisites
The installation packages have been uploaded to the server using an SFTP tool.
Configuration Process
No. |
Configuration Item |
Remarks |
1 |
Installing the BiSheng Compiler |
|
2 |
Installing Hyper MPI |
|
3 |
Installing OpenSSL |
See Installing OpenSSL. |
4 |
Installing CMake |
See Installing CMake. |
5 |
Installing GMP |
See Installing GMP. |
6 |
Installing Boost |
See Installing Boost. |
7 |
Installing Libint |
See Installing Libint. |
8 |
Installing FFTW |
See Installing FFTW. |
9 |
Installing LAPACK |
See Installing LAPACK. |
10 |
Installing ScaLAPACK |
See Installing ScaLAPACK. |
11 |
Installing ELPA |
See Installing ELPA. |
12 |
Installing Spglib |
See Installing Spglib. |
13 |
Installing Libxc |
See Installing Libxc. |
14 |
Installing GSL |
See Installing GSL. |
15 |
Installing PLUMED |
See Installing PLUMED. |
Configuring the Environment
- Use PuTTY to log in to the server as the root user.
- Edit the environment variable file.
vi ~/.bashrc
- Press i to enter the edit mode and run the following commands to load the BiSheng Compiler and Hyper MPI environment variables.
export PATH=/path/to/BISHENG/bisheng-compiler-1.3.3-aarch64-linux/bin:$PATH export LD_LIBRARY_PATH=/path/to/BISHENG/bisheng-compiler-1.3.3-aarch64-linux/lib:$LD_LIBRARY_PATH export INCLUDE=/path/to/HMPI/hmpi/include export PATH=/path/to/HMPI/hmpi/bin:/path/to/HMPI/ucx/bin:$PATH export OPAL_PREFIX=/path/to/HMPI/hmpi/ export LD_LIBRARY_PATH=/path/to/HMPI/hmpi/lib:/path/to/HMPI/ucx/lib:$LD_LIBRARY_PATH
Replace the previous installation paths with the actual ones.
- Press Esc, type :wq!, and press Enter to save the file and exit.
- Make the environment variables take effect.
source ~/.bashrc
Parent topic: Configuring the Compilation Environment