Input 10-bomd.02-td.inp
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
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 | -1.010809214108122e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217498990513377e-09 | PASS |
| Energy [step 3] | -1.058145774227822e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509860763666438e-09 | PASS |
| Energy [step 4] | -1.058134610392922e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.553221882337311e-09 | PASS |
| Forces [step 1] | -1.538478572155696e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994386309404e-07 | PASS |
| Forces [step 2] | -1.732216535538858e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557394953230158e-08 | PASS |
| Forces [step 3] | -1.918267217519418e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697842788057514e-07 | PASS |
| Forces [step 4] | -2.092292128354659e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.299870422688532e-07 | PASS |