Input 10-bomd.02-td.inp

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > 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 1.010848293958588e-09 PASS
Energy [step 2] -1.058158908201926e+01 -1.058158908323670e+01 1.340000000000000e-09 1.217436818023998e-09 PASS
Energy [step 3] -1.058145773725910e+01 -1.058145773976836e+01 2.760000000000000e-09 2.509263907768400e-09 PASS
Energy [step 4] -1.058134609279491e+01 -1.058134609837600e+01 6.140000000000000e-09 5.581092921147501e-09 PASS
Forces [step 1] -1.538476408166929e-01 -1.538477490161310e-01 1.190000000000000e-07 1.081994381313400e-07 PASS
Forces [step 2] -1.732218447021531e-01 -1.732217491278353e-01 1.050000000000000e-07 -9.557431779327885e-08 PASS
Forces [step 3] -1.918261822741733e-01 -1.918264519676630e-01 2.970000000000000e-07 2.696934896795344e-07 PASS
Forces [step 4] -2.092289487167413e-01 -2.092290828484236e-01 1.480000000000000e-07 1.341316822889294e-07 PASS
Compare to other inputs