Input 16-bomd.02-td.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010819872249158e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217463463376589e-09 | PASS |
| Energy [step 3] | -1.058145774227805e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509707996978250e-09 | PASS |
| Energy [step 4] | -1.058134610370155e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.328844920882148e-09 | PASS |
| Forces [step 1] | -1.538478572155693e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994360774274e-07 | PASS |
| Forces [step 2] | -1.732216535538152e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557398641946158e-08 | PASS |
| Forces [step 3] | -1.918267217282998e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.697956558439518e-07 | PASS |
| Forces [step 4] | -2.092291798230456e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | -9.741339984659092e-08 | PASS |