Input 10-bomd.02-td.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010807437751282e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217486556015501e-09 | PASS |
| Energy [step 3] | -1.058145774227804e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509679575268819e-09 | PASS |
| Energy [step 4] | -1.058134610370488e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.328882224375775e-09 | PASS |
| Forces [step 1] | -1.538478572155655e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994344676040e-07 | PASS |
| Forces [step 2] | -1.732216535538090e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557402630422374e-08 | PASS |
| Forces [step 3] | -1.918267217268678e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697592047795627e-07 | PASS |
| Forces [step 4] | -2.092291803069772e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -9.745855358844757e-08 | PASS |