Quick usage

For running GAUDI jobs in PGaudi you only need to execute the command pgaudi:

$ pgaudi path/to/some_file.gaudi-input

However, there are also some options that you can specify:

Optional arguments

Number of subprocesses generated

With the option -p <PROCESSES> you can specify the number of subprocesses in which the main process is divided.

PGaudi automatically detects the number of cores in the machine and sets this value as the number of subprocesses.

Complexity of the subprocesses

With the option -e, --equal you can specify to PGaudi that the new subprocesses generated by the program are computationally equal to the main process. With this option the values of number of generations and number of individuals per population of the new subprocesses are the same as in the input file.

Automatically, PGaudi set this option in False to generate computationally simpler subprocesses. It divides these variables between the number of processes. Take this into account to set the values of these variables in your input file!

List with all options:

-p <PROCESSES> Number of processes in which the main process is divided. [Default = cores in the machine]
-e, --equal Set the new subprocesses generated computationally equal to the main process. [Default = False]
-h, --help Show the help message and exit.
-v, --version Show program’s version number and exit.

Usage:

(insilichem)$ pgaudi path/to/some_file.gaudi-input [-p int_number_of_subprocess] [-e] [-h] [-v]

Input files

The input files needed are the same as the GaudiMM’s input files. To learn how to create them follow the tutorial of the GaudiMM’s documentation.

Output files

For visualize the output file you can simply use the command gaudi view and visualize the solutions with GaudiView.

$ gaudi view path/to/some_file.gaudi-output