Results¶

NgpbResult¶

NgpbRunner.run() returns an NgpbResult object containing:

• run identifiers and file locations
• the command used to invoke the backend
• parsed log sections
• parsed supported output files
• simple derived metrics
• provenance metadata

Parsed Log Sections¶

The parsed log is available at result.log. When present in the solver output, the following sections are mapped to typed objects:

• result.log.system
• result.log.domain
• result.log.surface
• result.log.grid
• result.log.solver
• result.log.energies

Example:

iterations = result.log.solver.iteration_count
nodes = result.log.grid.total_nodes
energy = result.log.energies.total_electrostatic_energy_kt

Parsed Output Files¶

If these files are produced by NextGenPB, ngpb4py parses them automatically:

• phi_surf.txt
• phi_nodes.txt
• phi_on_atoms.txt

Each file is exposed as a PotentialSampleSet in result.parsed_outputs.

phi_surf = result.parsed_outputs["phi_surf.txt"]
print(phi_surf.coordinates[:3])
print(phi_surf.potentials[:3])

Metrics¶

result.metrics provides a flattened dictionary of commonly useful values, such as mesh counts, iteration counts, and selected energy terms.