Skip to content

Failed to Run Example Using Docker with Error Message #6

Description

@maxshen29

When running the example with Docker, the following error occurs.
————————————————————————

root@74197cb9a68e:/app# genie3 run -c examples/binder_design/experiment.yaml
📝 Detailed log: /app/logs/runs/2026-05-14_07-49-05_run_binder_design_example/run.log
────────────────────────────────────────
🚀 Run started
Experiment: binder_design_example
Rootdir: examples/binder_design
────────────────────────────────────────
🧬 Generation
Status: generation WARNING: All log messages before absl::InitializeLog() is called are written to STDERR
I0000 00:00:1778744948.237658 18214 port.cc:153] oneDNN custom operations are on. You may see slightly different numerical results due to floating-point round-off errors from different computation orders. To turn them off, set the environment variable TF_ENABLE_ONEDNN_OPTS=0.
WARNING: All log messages before absl::InitializeLog() is called are written to STDERR
I0000 00:00:1778744948.924547 18214 port.cc:153] oneDNN custom operations are on. You may see slightly different numerical results due to floating-point round-off errors from different computation orders. To turn them off, set the environment variable TF_ENABLE_ONEDNN_OPTS=0.
✅ Generation finished
Output: examples/binder_design
────────────────────────────────────────
📊 Generation Summary
📦 Outputs
Samples generated: 5
🧪 Sampling
Per-sample generation: 11.862s
Sampling elapsed: 59.309s
────────────────────────────────────────
🎉 Generate completed
🧪 Evaluation
✅ Evaluation finished
Results: examples/binder_design/results
────────────────────────────────────────
📊 Evaluation Summary
📦 Outputs
Structures generated: 5
Sequences generated: 5
Model outputs written: 0
⚙️ Setup
Inverse-fold model init: 0.747s elapsed
Fold model preload: 0.137s elapsed
Startup elapsed: 0.884s
🧬 Inverse Fold
Inverse fold elapsed: 1.185s
Per-sequence inverse fold: 0.237s
🧪 Fold
Fold elapsed: 1.706s (model=colabfold, models=5, recycles=20)
Per-sequence fold: 0.341s (model=colabfold, models=5, recycles=20)
────────────────────────────────────────
🎉 Evaluate completed
🧪 Evaluation
❌ Evaluate failed
Traceback (most recent call last):
File "/app/src/genie3/cli.py", line 317, in _handle_evaluate
evaluation_result = run_evaluation(
File "/app/src/genie3/evaluation/workflow.py", line 78, in run_evaluation
main(args)
File "/app/src/genie3/evaluation/workflow.py", line 158, in main
runner.reduce(version, problem_dir_str, verbose, extra_kwargs)
File "/app/src/genie3/evaluation/pipeline.py", line 574, in reduce
reducer.reduce(rootdir=rootdir, verbose=verbose)
File "/app/src/genie3/evaluation/reducer/base.py", line 453, in reduce
self._filter(results_dir)
File "/app/src/genie3/evaluation/reducer/binder.py", line 412, in _filter
df_complex = pd.read_csv(os.path.join(results_dir, 'info.csv'))
File "/usr/local/lib/python3.10/dist-packages/pandas/io/parsers/readers.py", line 1026, in read_csv
return _read(filepath_or_buffer, kwds)
File "/usr/local/lib/python3.10/dist-packages/pandas/io/parsers/readers.py", line 620, in _read
parser = TextFileReader(filepath_or_buffer, **kwds)
File "/usr/local/lib/python3.10/dist-packages/pandas/io/parsers/readers.py", line 1620, in init
self._engine = self._make_engine(f, self.engine)
File "/usr/local/lib/python3.10/dist-packages/pandas/io/parsers/readers.py", line 1898, in _make_engine
return mapping[engine](f, **self.options)
File "/usr/local/lib/python3.10/dist-packages/pandas/io/parsers/c_parser_wrapper.py", line 93, in init
self._reader = parsers.TextReader(src, **kwds)
File "pandas/_libs/parsers.pyx", line 581, in pandas._libs.parsers.TextReader.cinit
pandas.errors.EmptyDataError: No columns to parse from file
❌ Run failed. See log: /app/logs/runs/2026-05-14_07-49-05_run_binder_design_example/run.log
❌ Run failed
Traceback (most recent call last):
File "/app/src/genie3/cli.py", line 246, in _handle_run
_run_single_shot(args, child_env)
File "/app/src/genie3/cli.py", line 524, in _run_single_shot
_run_child_stage(
File "/app/src/genie3/cli.py", line 664, in _run_child_stage
subprocess.run(cmd, check=True, env=child_env)
File "/usr/lib/python3.10/subprocess.py", line 526, in run
raise CalledProcessError(retcode, process.args,
subprocess.CalledProcessError: Command '['/usr/local/bin/genie3', 'evaluate', '--config', 'examples/binder_design/experiment.yaml', '--reduce']' returned non-zero exit status 1.
❌ Run failed. See log: /app/logs/runs/2026-05-14_07-49-05_run_binder_design_example/run.log

Activity

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

      Milestone

      No milestone

      Relationships

      None yet

      Development

      No branches or pull requests

      Issue actions