I am working on identifying lammps output varification
i am wondering how to correctly measure the exact kpi for run to run variation and with different toolchain
i am finding the KPI
------------ Step 1000 ----- CPU = 587.7981 (sec) -------------
TotEng = -12843898.8579 KinEng = 11002834.8685 Temp = 299.6559
PotEng = -23846733.7263 E_bond = 1312796.7826 E_angle = 5638657.9813
E_dihed = 2687883.7156 E_impro = 112492.4111 E_vdwl = -1070251.6826
E_coul = 105688636.8907 E_long = -138216949.8250 Press = -38.7294
Volume = 158665177.0127
which one to choose for output verification