Input 10-bomd.02-td.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828872e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010775463328173e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217488332372341e-09 | PASS |
| Energy [step 3] | -1.058145774227713e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.508770080567047e-09 | PASS |
| Energy [step 4] | -1.058134610354697e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.170972983137290e-09 | PASS |
| Forces [step 1] | -1.538478572155721e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994411289422e-07 | PASS |
| Forces [step 2] | -1.732216535534528e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557438246377004e-08 | PASS |
| Forces [step 3] | -1.918267216131662e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.696455032591416e-07 | PASS |
| Forces [step 4] | -2.092291575231779e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -7.467475432454407e-08 | PASS |