Match comparison for X Coordinate Atom 1 [step 10] (match type 24687)
Commits >
Commit cbc1abc06e6e7cc5a3148786399a656e257098a6 >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.148773322595018e-01 | 2.440000000000000e-14 | -3.148771458834200e-01 | 9.318802982477132e-07 | -3.148749093707042e-01 | 2.422888775444054e-06 | FAIL |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.3148773322595018, precision: 0.0000000000000244| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2022a_serial | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2022a_serial_min | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2022a_mpi | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2023a_mpi | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2023a_serial | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2023a_serial_min | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2023b_serial | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.148724864819287e-01 | 4.845777573092569e-06 | 1.985974415201873e+08 | FAIL |
| spack_foss-2023a_serial_omp | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_intel-2023a_serial | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_intel-2023a_impi | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.148773322594796e-01 | 2.220446049250313e-14 | 9.100188726435710e-01 | PASS |