LAMMPS30Sep2026:720-atom Ni spherical indentation

Fresh complete workflow: bash run.sh
This submits two sequential actual Slurm jobs (one P100 and one V10016), each
one GPU and2CPUallocation. CPUreference minimization runs inside the first
P100 allocation;it is not a CPU-node benchmark. GPU and Kokkos evaluations
use exactly the same relaxed coordinates. Queue/account permissions apply.
TCpartition andV10032nodes are excluded dynamically. No directcomputeSSH.

Provided reference only: bash analyze.sh
Fresh output analysis: bash analyze.sh work
Analysis uses existing ASE3.29.0 NumPy/Matplotlib and OVITO3.16.1 adaptiveCNA.

Physical model:Ni FCC6x6x5 conventionalcells,720atoms,Lx=Ly=21.12A,Lz40A,
periodicxy/freez.144bottomatoms fixed. SphereR6A,K10eV/A3,three sequential
depths0.5/1.0/1.5A relative to the unloadedrelaxedtop. Eachposition is held
constant during CGminimization;fix_modify ind energy yes includes contactenergy.
The kernel evaluates K/3*(R-r)^3 for positivepenetration,and reaction is the
negative sum of atom-indenterforces.1eV/A=1.602176634nN.

GPUpackageusesmixedprecision;Kokkosusesdoubleprecision. EAMpair computations
are deviceaccelerated;fixindentis not claimed to have a device-specificvariant.
Fourbackendforceevaluations are not GPUminimization orspeedbenchmarks.
Small slab/three depths are a teachingprotocol,not convergedhardness/modulus.
CNA labels are localneighborhoods;surfaceOTHER or4BCC labels are not bythemselves
evidence of a bulkphase transformation.

All provided inputs/results are own scientificoutputs. Potential is the
LAMMPS-bundled Ni_u3.eam,Foilesetal PRB33,7983(1986),header retained.
No softwarebinaries,credentials,Slurmlogs or runtimeUIDreceipts are included.

Fresh GPU reductions may differ at lastbits. Original numericalgates apply to
fresh results;byte-identical fresh plots are not a physicalrequirement.
Referenceplots regenerate from immutableprovidedreference data and are
checked byte-identically. Freshplots use fresh numericaldata withoutclipping
their small force/energydifferences.
