Results¶

NgpbResult¶

NgpbRunner.run() returns an NgpbResult object containing:

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

Parsed Log Sections¶

The parsed log is available at result.log. It is parsed on first access, and 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 the first time you access result.parsed_outputs:

• 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.