Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893926e-01 | -5.571938259894010e-01 | 2.390000000000000e-14 | 8.437694987151190e-15 | PASS |
| Energy [step 5] | -5.157327347418436e-01 | -5.157327347418511e-01 | 2.490000000000000e-14 | 7.549516567451064e-15 | PASS |
| Energy [step 10] | -5.157327347416988e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -8.881784197001252e-16 | PASS |
| Energy [step 15] | -5.157327347416606e-01 | -5.157327347416708e-01 | 2.780000000000000e-14 | 1.021405182655144e-14 | PASS |
| Energy [step 20] | -5.157327347416863e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 1.154631945610163e-14 | PASS |
| Dipole [step 1] | -2.660652947961140e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -1.922730941136625e-15 | PASS |
| Dipole [step 5] | -1.928247888208927e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -3.524958103184872e-15 | PASS |
| Dipole [step 10] | -3.545495747886704e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -3.053113317719180e-15 | PASS |
| Dipole [step 15] | -4.859689858458492e-01 | -4.859689858458459e-01 | 4.950000000000000e-15 | -3.330669073875470e-15 | PASS |
| Dipole [step 20] | -6.087120870676930e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -3.774758283725532e-15 | PASS |