Input 16-bomd.02-td.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828877e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010841188531231e-09 | PASS |
| Energy [step 2] | -1.058158908445421e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217477674231304e-09 | PASS |
| Energy [step 3] | -1.058145774227813e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509786156679183e-09 | PASS |
| Energy [step 4] | -1.058134610395196e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.579263273602919e-09 | PASS |
| Forces [step 1] | -1.538478572155724e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994391582963e-07 | PASS |
| Forces [step 2] | -1.732216535538501e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557395155845860e-08 | PASS |
| Forces [step 3] | -1.918267217408167e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.698081727203760e-07 | PASS |
| Forces [step 4] | -2.092292163248418e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | -1.339151959878215e-07 | PASS |