Input 10-bomd.03-td_restart.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138839e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908688814950438e-09 | PASS |
| Energy [step 2] | -1.058226789868582e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.420965175697347e-09 | PASS |
| Energy [step 3] | -1.058222762697749e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.093783421259104e-09 | PASS |
| Energy [step 4] | -1.058219874488304e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.945978180463499e-09 | PASS |
| Forces [step 1] | -2.249842232063931e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041586469852085e-08 | PASS |
| Forces [step 2] | -2.378813081614579e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.214313647135423e-07 | PASS |
| Forces [step 3] | -2.490665988936984e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 2.217434646178962e-07 | PASS |
| Forces [step 4] | -2.574358120832050e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 1.494259633583184e-06 | PASS |