Input 10-bomd.03-td_restart.inp
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138860e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908477428486549e-09 | PASS |
| Energy [step 2] | -1.058226789868706e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.419716396839249e-09 | PASS |
| Energy [step 3] | -1.058222762811229e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 6.958980947047166e-09 | PASS |
| Energy [step 4] | -1.058219874657604e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 7.252980438465784e-09 | PASS |
| Forces [step 1] | -2.249842232041405e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041361205600388e-08 | PASS |
| Forces [step 2] | -2.378813090990363e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.223689431173458e-07 | PASS |
| Forces [step 3] | -2.490679275094644e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | -1.106872301370743e-06 | PASS |
| Forces [step 4] | -2.574373484381737e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -4.209533510657337e-08 | PASS |