Input 16-bomd.02-td.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run intel_omp_autotools: [intel2023a-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] | -1.058158908445422e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217490108729180e-09 | PASS |
| Energy [step 3] | -1.058145774227779e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509452201593376e-09 | PASS |
| Energy [step 4] | -1.058134610378921e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.416508130906550e-09 | PASS |
| Forces [step 1] | -1.538478572155773e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994440710332e-07 | PASS |
| Forces [step 2] | -1.732216535537270e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557407465443646e-08 | PASS |
| Forces [step 3] | -1.918267216957432e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.697630991921329e-07 | PASS |
| Forces [step 4] | -2.092291926176242e-01 | -2.092290933047166e-01 | 1.590000000000000e-07 | -9.931290761988620e-08 | PASS |