Software Development

Simulation Failure Triage

First-response triage for cross-code (LAMMPS/VASP/QE/MOOSE) simulation failures: classifies the failure signature (nonconvergence, NaN/Inf, exploding energy, unstable timestep, pressure blow-up, missing potentials/pseudopotentials, memory exhaustion, process crash/segfault, corrupted output, incomplete runs) and proposes a SAFE one-change-at-a-time RETRY LADDER with explicit STOP CONDITIONS, prioritizing evidence preservation. Use as the immediate first response to a failed or suspicious run. For deep per-stage validation, conservation/physical-bounds checks, and "can I trust these results" analysis, defer to the simulation-validator skill.

Publisher / source
HeshamFS/materials-simulation-skills (found on the CSV list)
Upstream record
HeshamFS/materials-simulation-skills
Version
Version 2
Published
Publication review
Approved for publication
Content fingerprint
236fbbdda2cb0e102dc388bc881ed0b7606476d00019173381c6a31465dd72dc