Input 15-crank_nicolson.02-kick.inp

Commits > Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618079e+01 -1.058497392618078e+01 1.060000000000000e-13 -5.329070518200751e-15 PASS
Energy [step 5] -1.042952410766963e+01 -1.042952410766969e+01 1.040000000000000e-13 5.684341886080801e-14 PASS
Energy [step 10] -1.042951819589647e+01 -1.042951819589651e+01 1.040000000000000e-13 4.085620730620576e-14 PASS
Energy [step 15] -1.042951645116268e+01 -1.042951645116274e+01 1.040000000000000e-13 6.217248937900877e-14 PASS
Energy [step 20] -1.042951647298847e+01 -1.042951647298858e+01 1.130000000000000e-13 1.065814103640150e-13 PASS
Dipole [step 1] -2.622901895676932e-15 1.780638116610150e-16 6.520000000000000e-15 -2.800965707337947e-15 PASS
Dipole [step 5] -7.295369687089904e-01 -7.295369687093400e-01 3.930000000000000e-13 3.496092304544618e-13 PASS
Dipole [step 10] -1.339262978999552e+00 -1.339262979000332e+00 8.650000000000001e-13 7.800426971016350e-13 PASS
Dipole [step 15] -1.833828239415432e+00 -1.833828239416189e+00 8.390000000000000e-13 7.569500581894317e-13 PASS
Dipole [step 20] -2.215299445825478e+00 -2.215299445825728e+00 2.800000000000000e-13 2.504663143554353e-13 PASS
Compare to other inputs