Command line interface
DPGEN2: concurrent learning workflow generating the machine learning potential energy models.
usage: dpgen2 [-h] [--version] {submit,resubmit,status} ...
Named Arguments
- --version
show program’s version number and exit
Valid subcommands
- command
Possible choices: submit, resubmit, status
Sub-commands
submit
Submit DPGEN2 workflow
dpgen2 submit [-h] CONFIG
Positional Arguments
- CONFIG
the config file in json format defining the workflow.
resubmit
Submit DPGEN2 workflow resuing steps from an existing workflow
dpgen2 resubmit [-h] [--list] [--reuse REUSE [REUSE ...]] CONFIG ID
Positional Arguments
- CONFIG
the config file in json format defining the workflow.
- ID
the ID of the existing workflow.
Named Arguments
- --list
list the Steps of the existing workflow.
Default: False
- --reuse
specify which Steps to reuse.
status
Print the status (stage, iteration, convergence) of the DPGEN2 workflow
dpgen2 status [-h] CONFIG ID
Positional Arguments
- CONFIG
the config file in json format.
- ID
the ID of the existing workflow.