Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

WC doesn't get resubmitted after atoms crash into each other #205

Open
RobinHilg opened this issue Mar 23, 2023 · 0 comments
Open

WC doesn't get resubmitted after atoms crash into each other #205

RobinHilg opened this issue Mar 23, 2023 · 0 comments

Comments

@RobinHilg
Copy link
Contributor

FleurCreateMagneticWorkChain<646050> Finished [382] [3:make_magnetic]
    ├── create_film_to_relax<646056> Finished [0]
    └── FleurBaseRelaxWorkChain<646059> Finished [301] [2:while_(should_run_process)(2:inspect_process)]
        └── FleurRelaxWorkChain<646060> Excepted [1:if_(should_relax)(2:while_(condition)(2:check_failure))]
            ├── FleurScfWorkChain<646062> Finished [0] [7:return_results]
            │   ├── FleurinputgenCalculation<646063> Finished [0]
            │   ├── modify_fleurinpdata<646116> Finished [0]
            │   ├── FleurBaseWorkChain<646123> Finished [0] [3:results]
            │   │   └── FleurCalculation<646124> Finished [0]
            │   └── create_scf_result_node<650871> Finished [0]
            ├── FleurScfWorkChain<651051> Finished [0] [7:return_results]
            │   ├── get_fleurinp_from_remote_data_cf<651064> Finished [0]
            │   ├── modify_fleurinpdata<651108> Finished [0]
            │   ├── FleurBaseWorkChain<651126> Finished [0] [3:results]
            │   │   └── FleurCalculation<651183> Finished [0]
            │   ├── FleurBaseWorkChain<653550> Finished [0] [3:results]
            │   │   └── FleurCalculation<653586> Finished [0]
            │   ├── FleurBaseWorkChain<655798> Finished [0] [3:results]
            │   │   └── FleurCalculation<655812> Finished [0]
            │   └── create_scf_result_node<656397> Finished [0]
            └── FleurScfWorkChain<656441> Finished [361] [4:inspect_fleur]
                ├── get_fleurinp_from_remote_data_cf<656486> Finished [0]
                ├── modify_fleurinpdata<656502> Finished [0]
                ├── FleurBaseWorkChain<656513> Excepted [2:while_(should_run_process)]
                │   └── FleurCalculation<656555> Finished [0]
                └── create_scf_result_node<656651> Finished [0]

Looking at node verdi calcjob gotocomputer 656555 :

Automatically reducing atom displacements because MT spheres crash into each other!
 Automatically reducing atom displacements because MT spheres crash into each other!
 Automatically reducing atom displacements because MT spheres crash into each other!
 Automatically reducing atom displacements because MT spheres crash into each other!
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

No branches or pull requests

1 participant