Input 10-bomd.02-td.inp

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966828875e+01 -1.058173966727794e+01 1.110000000000000e-09 -1.010807437751282e-09 PASS
Energy [step 2] -1.058158908445419e+01 -1.058158908323670e+01 1.340000000000000e-09 -1.217486556015501e-09 PASS
Energy [step 3] -1.058145774227804e+01 -1.058145773976836e+01 2.760000000000000e-09 -2.509679575268819e-09 PASS
Energy [step 4] -1.058134610370488e+01 -1.058134609837600e+01 6.140000000000000e-09 -5.328880448018936e-09 PASS
Forces [step 1] -1.538478572155655e-01 -1.538477490161310e-01 1.190000000000000e-07 -1.081994344676040e-07 PASS
Forces [step 2] -1.732216535538090e-01 -1.732217491278353e-01 1.050000000000000e-07 9.557402630422374e-08 PASS
Forces [step 3] -1.918267217268678e-01 -1.918264519676630e-01 2.970000000000000e-07 -2.697592047795627e-07 PASS
Forces [step 4] -2.092291803069772e-01 -2.092290828484236e-01 1.480000000000000e-07 -9.745855358844757e-08 PASS
Compare to other inputs