Input 06-caetrs.04-kick-tp2.inp
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.056293727506791e+01 | -1.056293727506791e+01 | 1.060000000000000e-13 | 3.552713678800501e-15 | PASS |
| Energy [step 5] | -1.040745483159454e+01 | -1.040745483159455e+01 | 1.040000000000000e-13 | 7.105427357601002e-15 | PASS |
| Energy [step 10] | -1.040743417507011e+01 | -1.040743417507012e+01 | 1.040000000000000e-13 | 7.105427357601002e-15 | PASS |
| Energy [step 15] | -1.040742113639585e+01 | -1.040742113639585e+01 | 1.040000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 20] | -1.040741451973632e+01 | -1.040741451973633e+01 | 1.040000000000000e-13 | 7.105427357601002e-15 | PASS |
| Dipole [step 1] | -3.218616779349093e-17 | 1.494990959640600e-16 | 6.600000000000000e-15 | -1.816852637575509e-16 | PASS |
| Dipole [step 5] | -7.295426719525293e-01 | -7.295426719525300e-01 | 3.650000000000000e-14 | 6.661338147750939e-16 | PASS |
| Dipole [step 10] | -1.337803863058591e+00 | -1.337803863058586e+00 | 1.340000000000000e-14 | -5.107025913275720e-15 | PASS |
| Dipole [step 15] | -1.828601499014710e+00 | -1.828601499014712e+00 | 1.830000000000000e-14 | 1.776356839400250e-15 | PASS |
| Dipole [step 20] | -2.205209055720842e+00 | -2.205209055720848e+00 | 2.210000000000000e-14 | 6.217248937900877e-15 | PASS |