Input 10-bomd.02-td.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > 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 -1.010809214108122e-09 PASS
Energy [step 2] -1.058158908445420e+01 -1.058158908323670e+01 1.340000000000000e-09 -1.217498990513377e-09 PASS
Energy [step 3] -1.058145774227822e+01 -1.058145773976836e+01 2.760000000000000e-09 -2.509860763666438e-09 PASS
Energy [step 4] -1.058134610392922e+01 -1.058134609837600e+01 6.140000000000000e-09 -5.553221882337311e-09 PASS
Forces [step 1] -1.538478572155696e-01 -1.538477490161310e-01 1.190000000000000e-07 -1.081994386309404e-07 PASS
Forces [step 2] -1.732216535538858e-01 -1.732217491278353e-01 1.050000000000000e-07 9.557394953230158e-08 PASS
Forces [step 3] -1.918267217519418e-01 -1.918264519676630e-01 2.970000000000000e-07 -2.697842788057514e-07 PASS
Forces [step 4] -2.092292128354659e-01 -2.092290828484236e-01 1.480000000000000e-07 -1.299870422688532e-07 PASS
Compare to other inputs