Input 16-bomd.02-td.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626711e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | 1.010823424962837e-09 | PASS |
| Energy [step 2] | -1.058158908201927e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217461687019750e-09 | PASS |
| Energy [step 3] | -1.058145773725909e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509251473270524e-09 | PASS |
| Energy [step 4] | -1.058134609279489e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.577811990065129e-09 | PASS |
| Forces [step 1] | -1.538476408166977e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994354668048e-07 | PASS |
| Forces [step 2] | -1.732218447021574e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557435579066187e-08 | PASS |
| Forces [step 3] | -1.918261822692354e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.696634085752603e-07 | PASS |
| Forces [step 4] | -2.092289487081544e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.337014914060131e-07 | PASS |