Compile the serial siesta in Ubuntu

To compile a serial siesta in Ubuntu, you must first prepare the following libraries and software: You can easily install fftw, gfortran, it is best to have mpi, scalapack, blacs ...... tools supporting parallel Compilation. Enter the Src directory and configure it as follows: $ cdsiesta/Src/$./configure the installation file, arch. make. Open and take a look at the configuration and repair it based on your own machine.

To compile a serial siesta in Ubuntu, you must first prepare the following libraries and software:

In Ubuntu software management, you can easily install fftw and gfortran. It is best to have mpi, scalapack, and blacs... tools that support parallel compilation.

Go to the Src directory and configure the following:

$ Cd siesta/Src/

$./Configure

The Installation File arch. make is generated.

Open and check the configuration and modify it based on your machine. If the previous libraries and software have been installed, You can compile them directly:

$ Make

You can also find the file with the same configuration as your own machine from Src/Sys/and enter the following command:

$ Cp *. make.../arch. make

$ Cd ..

$ Make

After compilation is successful, the siesta execution file is generated.

Enter the following command in the computing directory:

$ Siesta *. fdf | tee *. out