Input 06-caetrs.04-kick-tp2.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.056293727506790e+01 | -1.056293727506791e+01 | 1.060000000000000e-13 | 8.881784197001252e-15 | PASS |
| Energy [step 5] | -1.040745483159455e+01 | -1.040745483159455e+01 | 1.040000000000000e-13 | -1.776356839400250e-15 | PASS |
| Energy [step 10] | -1.040743417507011e+01 | -1.040743417507012e+01 | 1.040000000000000e-13 | 1.243449787580175e-14 | PASS |
| Energy [step 15] | -1.040742113639585e+01 | -1.040742113639585e+01 | 1.040000000000000e-13 | 3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.040741451973632e+01 | -1.040741451973633e+01 | 1.040000000000000e-13 | 1.065814103640150e-14 | PASS |
| Dipole [step 1] | 2.168441695735851e-15 | 1.494990959640600e-16 | 6.600000000000000e-15 | 2.018942599771791e-15 | PASS |
| Dipole [step 5] | -7.295426719525284e-01 | -7.295426719525300e-01 | 3.650000000000000e-14 | 1.554312234475219e-15 | PASS |
| Dipole [step 10] | -1.337803863058584e+00 | -1.337803863058586e+00 | 1.340000000000000e-14 | 2.442490654175344e-15 | PASS |
| Dipole [step 15] | -1.828601499014715e+00 | -1.828601499014712e+00 | 1.830000000000000e-14 | -2.442490654175344e-15 | PASS |
| Dipole [step 20] | -2.205209055720852e+00 | -2.205209055720848e+00 | 2.210000000000000e-14 | -3.996802888650564e-15 | PASS |