Input 10-bomd.02-td.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
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 |