Input 15-crank_nicolson.02-kick.inp

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > 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] -1.042952410766963e+01 -1.042952410766969e+01 1.040000000000000e-13 6.039613253960852e-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 1.048050535246148e-13 PASS
Dipole [step 1] 4.059252933785729e-16 1.780638116610150e-16 6.520000000000000e-15 2.278614817175579e-16 PASS
Dipole [step 5] -7.295369687089875e-01 -7.295369687093400e-01 3.930000000000000e-13 3.524958103184872e-13 PASS
Dipole [step 10] -1.339262978999550e+00 -1.339262979000332e+00 8.650000000000001e-13 7.820410985459603e-13 PASS
Dipole [step 15] -1.833828239415429e+00 -1.833828239416189e+00 8.390000000000000e-13 7.596145934485321e-13 PASS
Dipole [step 20] -2.215299445825475e+00 -2.215299445825728e+00 2.800000000000000e-13 2.535749388243858e-13 PASS
Compare to other inputs