Preparation for ThreeBodyTB¶
To perform calculations based on the tight-binding method, including three-body interaction, utilize the package released as ThreeBodyTB.
Since this feature is executed by invoking Julia, the Julia environment have to be prepared in advance. Additionally, MPI parallel processing is not supported (OpenMP parallel processing is available).
Installation¶
Install the software on the machine that will be used for the calculation (e.g. if you will plan to submit the job to a calculation server, the installation should be done on that server).
Download the installer or executable file from the Julia download page and complete the installation.
Launch Julia’s interactive execution environment and install the ThreeBodyTB package.
using Pkg Pkg.add("ThreeBodyTB")
If you plan to use DOS/Band, also install the Plots package.
Pkg.add("Plots")
Configuring NanoLabo¶
To run locally (on the machine running NanoLabo)
Click the in the upper left corner of the screen, then open
to set the path to the julia executable file.To run remotely (on calculation server etc.)
If julia is installed in
~/julia*
directory, it will work with thePATH
autmatically added, so no additional configuration is necessary.If Julia is installed in a different location, click the in the upper left corner, open
, and add thePATH
to the job script.export PATH=(julia installation destination)/bin:$PATH