Input 10-bomd.02-td.inp

Commits > Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966626709e+01 -1.058173966727794e+01 1.110000000000000e-09 1.010850070315428e-09 PASS
Energy [step 2] -1.058158908201926e+01 -1.058158908323670e+01 1.340000000000000e-09 1.217443923451356e-09 PASS
Energy [step 3] -1.058145773725932e+01 -1.058145773976836e+01 2.760000000000000e-09 2.509045415877154e-09 PASS
Energy [step 4] -1.058134609279536e+01 -1.058134609837600e+01 6.140000000000000e-09 5.580639950153454e-09 PASS
Forces [step 1] -1.538476408166915e-01 -1.538477490161310e-01 1.190000000000000e-07 1.081994395191188e-07 PASS
Forces [step 2] -1.732218447021234e-01 -1.732217491278353e-01 1.050000000000000e-07 -9.557428812256852e-08 PASS
Forces [step 3] -1.918261823348830e-01 -1.918264519676630e-01 2.970000000000000e-07 2.696327800200127e-07 PASS
Forces [step 4] -2.092289487977833e-01 -2.092290828484236e-01 1.480000000000000e-07 1.340506402547348e-07 PASS
Compare to other inputs