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, incompl
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, prior