Input 16-sparskit.02-kick.inp

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618078e+01 -1.058497392618078e+01 1.060000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 5] -1.042952412811269e+01 -1.042952412811269e+01 1.040000000000000e-13 -1.776356839400250e-15 PASS
Energy [step 10] -1.042951822881427e+01 -1.042951822881430e+01 1.040000000000000e-13 2.842170943040401e-14 PASS
Energy [step 15] -1.042951650355472e+01 -1.042951650355473e+01 1.040000000000000e-13 5.329070518200751e-15 PASS
Energy [step 20] -1.042951654541480e+01 -1.042951654541481e+01 1.040000000000000e-13 5.329070518200751e-15 PASS
Dipole [step 1] 4.059252933785729e-16 -4.333620525691201e-16 7.190000000000000e-15 8.392873459476929e-16 PASS
Dipole [step 5] -7.295369601119531e-01 -7.295369601119552e-01 7.300000000000000e-15 2.109423746787797e-15 PASS
Dipole [step 10] -1.339262937921843e+00 -1.339262937921843e+00 1.340000000000000e-14 2.220446049250313e-16 PASS
Dipole [step 15] -1.833828192687670e+00 -1.833828192687674e+00 1.830000000000000e-14 3.552713678800501e-15 PASS
Dipole [step 20] -2.215299399796872e+00 -2.215299399796875e+00 2.220000000000000e-14 2.664535259100376e-15 PASS
Compare to other inputs