├── .git_archival.txt ├── .gitattributes ├── .github ├── dependabot.yml └── workflows │ ├── ci-docker.yml │ ├── copilot-setup-steps.yml │ ├── machines.yml │ ├── mirror_gitee.yml │ ├── publish_conda.yml │ ├── pyright.yml │ ├── release.yml │ ├── test-bohrium.yml │ └── test.yml ├── .gitignore ├── .pre-commit-config.yaml ├── .readthedocs.yaml ├── AGENTS.md ├── CONTRIBUTING.md ├── Dockerfile ├── LICENSE ├── README.md ├── ci ├── LICENSE ├── README.md ├── pbs.sh ├── pbs │ ├── docker-compose.yml │ └── start-pbs.sh ├── slurm.sh ├── slurm │ ├── docker-compose.yml │ ├── register_cluster.sh │ └── start-slurm.sh ├── ssh.sh ├── ssh │ ├── docker-compose.yml │ └── start-ssh.sh └── ssh_rsync.sh ├── codecov.yml ├── conda ├── conda_build_config.yaml └── meta.yaml ├── doc ├── .gitignore ├── Makefile ├── batch.md ├── cli.rst ├── conf.py ├── context.md ├── credits.rst ├── dpdispatcher_on_yarn.md ├── env.md ├── examples │ ├── expanse.md │ ├── g16.md │ ├── shell.md │ └── template.md ├── getting-started.md ├── index.rst ├── install.md ├── machine.rst ├── make.bat ├── pep723.rst ├── requirements.txt ├── resources.rst ├── run.md └── task.rst ├── dpdispatcher ├── __init__.py ├── __main__.py ├── arginfo.py ├── base_context.py ├── contexts │ ├── __init__.py │ ├── dp_cloud_server_context.py │ ├── hdfs_context.py │ ├── lazy_local_context.py │ ├── local_context.py │ ├── openapi_context.py │ └── ssh_context.py ├── dlog.py ├── dpcloudserver │ ├── __init__.py │ └── client.py ├── dpdisp.py ├── entrypoints │ ├── __init__.py │ ├── gui.py │ ├── run.py │ └── submission.py ├── machine.py ├── machines │ ├── JH_UniScheduler.py │ ├── __init__.py │ ├── distributed_shell.py │ ├── dp_cloud_server.py │ ├── fugaku.py │ ├── lsf.py │ ├── openapi.py │ ├── pbs.py │ ├── shell.py │ └── slurm.py ├── run.py ├── submission.py └── utils │ ├── __init__.py │ ├── dpcloudserver │ ├── __init__.py │ ├── client.py │ ├── config.py │ ├── retcode.py │ └── zip_file.py │ ├── hdfs_cli.py │ ├── job_status.py │ ├── record.py │ └── utils.py ├── examples ├── dpdisp_run.py ├── machine │ ├── expanse.json │ ├── lazy_local.json │ ├── mandu.json │ └── ssh_proxy_command.json ├── resources │ ├── expanse_cpu.json │ ├── mandu.json │ ├── template.slurm │ └── tiger.json └── task │ ├── deepmd-kit.json │ └── g16.json ├── pyproject.toml ├── scripts ├── script_gen_dargs_docs.py └── script_gen_dargs_json.py └── tests ├── .gitignore ├── __init__.py ├── batch.json ├── context.py ├── debug_test_class_submission_init.py ├── devel_test_JH_UniScheduler.py ├── devel_test_ali_ehpc.py ├── devel_test_dp_cloud_server.py ├── devel_test_lazy_ali_ehpc.py ├── devel_test_lsf.py ├── devel_test_shell.py ├── devel_test_slurm.py ├── devel_test_ssh_ali_ehpc.py ├── graph.pb ├── hello_world.py ├── jsons ├── job.json ├── machine.json ├── machine_JH_UniScheduler.json ├── machine_ali_ehpc.json ├── machine_center.json ├── machine_diffenert.json ├── machine_dp_cloud_server.json ├── machine_fugaku.json ├── machine_if_cuda_multi_devices.json ├── machine_lazy_local_jh_unischeduler.json ├── machine_lazy_local_lsf.json ├── machine_lazy_local_slurm.json ├── machine_lazylocal_shell.json ├── machine_local_fugaku.json ├── machine_local_shell.json ├── machine_lsf.json ├── machine_openapi.json ├── machine_slurm.json ├── machine_yarn.json ├── resources.json ├── submission.json └── task.json ├── sample_class.py ├── script_gen_json.py ├── slurm_test.env ├── test_JH_UniScheduler_script_generation.py ├── test_argcheck.py ├── test_class_job.py ├── test_class_machine.py ├── test_class_machine_dispatch.py ├── test_class_resources.py ├── test_class_submission.py ├── test_class_submission_init.py ├── test_class_task.py ├── test_cli.py ├── test_context_dir └── 0_md │ ├── bct-1 │ ├── conf.lmp │ ├── input.lammps │ └── some_dir │ │ └── some_file │ ├── bct-2 │ ├── conf.lmp │ └── input.lammps │ ├── bct-3 │ ├── conf.lmp │ └── input.lammps │ ├── bct-4 │ ├── conf.lmp │ └── input.lammps │ ├── dir with space │ └── file with space │ ├── graph.pb │ └── some_dir │ └── some_file ├── test_examples.py ├── test_group_size.py ├── test_gui.py ├── test_hdfs_context.py ├── test_hdfs_dir └── 0_md │ ├── bct-1 │ ├── conf.lmp │ └── input.lammps │ ├── bct-2 │ ├── conf.lmp │ └── input.lammps │ ├── bct-3 │ ├── conf.lmp │ └── input.lammps │ ├── bct-4 │ ├── conf.lmp │ └── input.lammps │ └── graph.pb ├── test_if_cuda_multi_devices └── test_dir │ └── test.txt ├── test_import_classes.py ├── test_jh_unischeduler └── 0_md │ ├── bct-1 │ ├── conf.lmp │ └── input.lammps │ ├── bct-2 │ ├── conf.lmp │ └── input.lammps │ ├── bct-3 │ ├── conf.lmp │ └── input.lammps │ ├── bct-4 │ ├── conf.lmp │ └── input.lammps │ └── graph.pb ├── test_lazy_local_context.py ├── test_local_context.py ├── test_lsf_dir └── 0_md │ ├── bct-1 │ ├── conf.lmp │ └── input.lammps │ ├── bct-2 │ ├── conf.lmp │ └── input.lammps │ ├── bct-3 │ ├── conf.lmp │ └── input.lammps │ ├── bct-4 │ ├── conf.lmp │ └── input.lammps │ ├── graph.pb │ └── submission.json ├── test_lsf_script_generation.py ├── test_pbs_dir └── 0_md │ ├── bct-1 │ ├── conf.lmp │ └── input.lammps │ ├── bct-2 │ ├── conf.lmp │ └── input.lammps │ ├── bct-3 │ ├── conf.lmp │ └── input.lammps │ ├── bct-4 │ ├── conf.lmp │ └── input.lammps │ └── graph.pb ├── test_retry.py ├── test_rsync_flags.py ├── test_rsync_proxy.py ├── test_run.py ├── test_run_submission.py ├── test_run_submission_bohrium.py ├── test_run_submission_ratio_unfinished.py ├── test_shell_cuda_multi_devices.py ├── test_shell_trival.py ├── test_shell_trival_dir ├── fail_dir │ └── mock_fail_task.txt ├── parent_dir │ ├── dir with space │ │ └── example.txt │ ├── dir1 │ │ └── example.txt │ ├── dir2 │ │ └── example.txt │ ├── dir3 │ │ └── example.txt │ ├── dir4 │ │ └── example.txt │ └── graph.pb └── recover_dir │ └── mock_recover_task.txt ├── test_slurm_dir └── 0_md │ ├── bct-1 │ ├── conf.lmp │ └── input.lammps │ ├── bct-2 │ ├── conf.lmp │ └── input.lammps │ ├── bct-3 │ ├── conf.lmp │ └── input.lammps │ ├── bct-4 │ ├── conf.lmp │ └── input.lammps │ ├── 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