Input 10-bomd.02-td.inp

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Run foss_cuda_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966828875e+01 -1.058173966727794e+01 1.110000000000000e-09 -1.010810990464961e-09 PASS
Energy [step 2] -1.058158908445419e+01 -1.058158908323670e+01 1.340000000000000e-09 -1.217488332372341e-09 PASS
Energy [step 3] -1.058145774227817e+01 -1.058145773976836e+01 2.760000000000000e-09 -2.509807472961256e-09 PASS
Energy [step 4] -1.058134610394097e+01 -1.058134609837600e+01 6.140000000000000e-09 -5.564965377402586e-09 PASS
Forces [step 1] -1.538478572155685e-01 -1.538477490161310e-01 1.190000000000000e-07 -1.081994374929618e-07 PASS
Forces [step 2] -1.732216535538733e-01 -1.732217491278353e-01 1.050000000000000e-07 9.557396202231061e-08 PASS
Forces [step 3] -1.918267217454869e-01 -1.918264519676630e-01 2.970000000000000e-07 -2.697778239413307e-07 PASS
Forces [step 4] -2.092292144543916e-01 -2.092290828484236e-01 1.480000000000000e-07 -1.316059680400716e-07 PASS
Compare to other inputs