Input 22-multitrajectory.01-gs.inp
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Replica 1 converged | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Replica 2 converged | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Replica 3 converged | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Replica 1 C x-pos | -1.500000000000000e+00 | -1.500000000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Replica 2 C x-pos | -1.373224000000000e+00 | -1.373224000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Replica 3 C x-pos | -1.438932000000000e+00 | -1.438932000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Replica 1 dipole | -3.216400000000000e-04 | 0.000000000000000e+00 | 3.000000000000000e-03 | -3.216400000000000e-04 | PASS |
| Replica 2 dipole | 3.022330000000000e-04 | 0.000000000000000e+00 | 3.000000000000000e-03 | 3.022330000000000e-04 | PASS |
| Replica 3 dipole | 1.048930000000000e-03 | 0.000000000000000e+00 | 3.000000000000000e-03 | 1.048930000000000e-03 | PASS |