ATAT3.52 MAPS -> pollmach -> Slurm VASP6.5.1 GPU

Fresh complete workflow: bash run.sh
Provided scientific outputs only: bash analyze.sh
Fresh output analysis: bash analyze.sh work

One V10016 Slurm allocation,one GPU,two CPU cores,one MPI/OMP thread.
Requires VASP use rights,Cu/Au PAW PBE potentials,ATAT personal configuration
and queue permission. No POTCAR,WAVECAR,binaries,private config or full
OUTCAR is included. Reference contains scientific excerpts only.

Native MAPS selects four FCC Cu-Au structures through ready/wait handshake.
Native pollmach calls runstruct_vasp -nr, explicit GPU VASP, -ex extraction;
whole-cell OSZICAR F returns to energy. Fixed a3.8A,ENCUT400,EDIFF1e-6,
KPPRA64,ISMEAR1,SIGMA.1. Candidate cells limited to4atoms,one pair cluster.
This is a bounded task-protocol demonstration,not a validated CE or phase
diagram. Its fitted ground-state messages apply only to its tiny pool.

Native error recovery reopens the same data without rerunning DFT.
An energy is preserved by atomic rename,marked error,and a fresh MAPS
read emits insufficient-known-energy warning. The old four-row fit.out
stays on disk and is not claimed current. Restoring byte-identical energy
and removing error produces a fresh four-row fit. All own children stop
normally. Cached old fit files require checking current log and mtime.

Energy is cell F,not E0/peratom. fit.out uses referenced energy per site;
independent endmember references and compositions are checked. The actual
periodic cell is used to compare positions: VASP can wrap coordinates.

The default ATAT CPU6.4.2 wrapper is unchanged. No installation or user
configuration changed. TC/V10032 excluded dynamically,Slurm required.
Reference plots reproduce exactly;fresh calculations pass the same
physical gates but fresh plot bytes need not match reference.
