Input 16-bomd.02-td.inp

Commits > Commit e4c059220ca1a60f4b3fbcd10e5162435e5fcc26 > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966626709e+01 -1.058173966727793e+01 1.110000000000000e-09 1.010837635817552e-09 PASS
Energy [step 2] -1.058158908201926e+01 -1.058158908323673e+01 1.340000000000000e-09 1.217465239733428e-09 PASS
Energy [step 3] -1.058145773725907e+01 -1.058145773976834e+01 2.760000000000000e-09 2.509269236838918e-09 PASS
Energy [step 4] -1.058134609279486e+01 -1.058134609837270e+01 6.140000000000000e-09 5.577838635417720e-09 PASS
Forces [step 1] -1.538476408166919e-01 -1.538477490161332e-01 1.190000000000000e-07 1.081994412677201e-07 PASS
Forces [step 2] -1.732218447021535e-01 -1.732217491278016e-01 1.050000000000000e-07 -9.557435184937013e-08 PASS
Forces [step 3] -1.918261822818510e-01 -1.918264519326440e-01 2.970000000000000e-07 2.696507930000092e-07 PASS
Forces [step 4] -2.092289487438755e-01 -2.092290824096458e-01 1.470000000000000e-07 1.336657702577515e-07 PASS
Compare to other inputs