Troubleshooting Guide

Author:

Rohit Goswami

Troubleshooting Guide

Common problems and solutions for rgpycrumbs.

Installation

Problem: “ModuleNotFoundError: No module named ‘rgpycrumbs’”

Cause: Not installed in current Python environment.

Solution:

python -m pip install rgpycrumbs

Problem: “Module ‘jax’ is not installed”

Cause: JAX required for surface fitting.

Solution:

pip install "rgpycrumbs[surfaces]"
# Or enable auto-install
export RGPYCRUMBS_AUTO_DEPS=1

CLI Issues

Problem: “Error: Script not found”

Cause: CLI script missing or not discovered.

Solution:

# Check available commands
rgpycrumbs --help

# Reinstall if needed
pip install -e .

Problem: “uv command not found”

Cause: uv not installed (required for PEP 723 scripts).

Solution:

curl -LsSf https://astral.sh/uv/install.sh | sh

Batch Processing

Problem: Batch command not found

Cause: chemgp module not installed.

Solution:

pip install "rgpycrumbs[analysis]"

Problem: Parallel processing not working

Cause: Too many workers or memory issues.

Solution:

# Reduce number of workers
rgpycrumbs chemgp batch -c config.toml -j 2

Performance

Problem: Slow plotting

Cause: Large datasets or complex surfaces.

Solution:

  1. Use parallel processing

  2. Downsample data

  3. Use simpler interpolation methods

Getting Help