Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_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] | -5.157327347418409e-01 | -5.157327347418511e-01 | 2.490000000000000e-14 | 1.021405182655144e-14 | PASS |
| Energy [step 10] | -5.157327347416997e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -1.776356839400250e-15 | PASS |
| Energy [step 15] | -5.157327347416606e-01 | -5.157327347416708e-01 | 2.780000000000000e-14 | 1.021405182655144e-14 | PASS |
| Energy [step 20] | -5.157327347416899e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 7.993605777301127e-15 | PASS |
| Dipole [step 1] | 2.250250766971940e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | 2.988172773796455e-15 | PASS |
| Dipole [step 5] | -1.928247888208872e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | 2.026157019940911e-15 | PASS |
| Dipole [step 10] | -3.545495747886662e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | 1.221245327087672e-15 | PASS |
| Dipole [step 15] | -4.859689858458431e-01 | -4.859689858458459e-01 | 4.950000000000000e-15 | 2.831068712794149e-15 | PASS |
| Dipole [step 20] | -6.087120870676885e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | 6.661338147750939e-16 | PASS |