Instruction
This is APEX Bohrium App for fast generation of APEX workflow on the Bohrium platform without use of command line interaction. You should have an available Bohrium account to use this App.
For introduction and more details of APEX, you may refer to our Github repository.
Notice that, different from the original APEX, the property-only workflow is not supported in this App, thus, you can submit either a relaxation-only workflow, or a complete joint workflow through this App.
To start an APEX test
You need to upload necessary files for the test via front-end, which include:
- Test-parameter json files (relaxation type or joint type)
- Configuration files (POSCAR format, and name differently for multiple files uploaded)
- Other necessary files depending on type of calculation you are doing (e.g. *.pb, INCAR, POTCAR)
Then, you will be needed to input some global configeration parameters for the test once clicking the Next button.
This include calculation image name, run command, and node type et al.
When you finish all the setting, click submit button to submit a workflow.
After submition
Once submitted, you can monitor the workflow by clicking the workflow button.
upon finished
All results will be retrieved under output/returns directory at job workspace.
