Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571938259893899e-01 -5.571938259894033e-01 4.010000000000000e-14 1.332267629550188e-14 PASS
Energy [step 5] -5.157327347418427e-01 -5.157327347418467e-01 2.780000000000000e-14 3.996802888650564e-15 PASS
Energy [step 10] -5.157327347416979e-01 -5.157327347416979e-01 3.030000000000000e-14 0.000000000000000e+00 PASS
Energy [step 15] -5.157327347416597e-01 -5.157327347416570e-01 1.950000000000000e-14 -2.664535259100376e-15 PASS
Energy [step 20] -5.157327347416872e-01 -5.157327347416979e-01 4.100000000000000e-14 1.065814103640150e-14 PASS
Dipole [step 1] -2.070589122523617e-15 -7.379220068245151e-16 5.560000000000000e-15 -1.332667115699102e-15 PASS
Dipole [step 5] -1.928247888208912e-01 -1.928247888208892e-01 4.590000000000000e-15 -2.053912595556540e-15 PASS
Dipole [step 10] -3.545495747886691e-01 -3.545495747886674e-01 4.430000000000000e-15 -1.720845688168993e-15 PASS
Dipole [step 15] -4.859689858458472e-01 -4.859689858458450e-01 2.430000000000000e-14 -2.164934898019055e-15 PASS
Dipole [step 20] -6.087120870676934e-01 -6.087120870676892e-01 6.960000000000000e-15 -4.218847493575595e-15 PASS
Compare to other inputs