Match comparison for Initial energy (match type 22543)
Commits >
Commit 119356330ffc33ec037b7259f31bc868121af1f1 >
Input 22-td_move_ions_periodic.01-gs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.965697182000000e+01 | 1.480000000000000e-07 | -2.965697183000000e+01 | 0.000000000000000e+00 | -2.965697183000000e+01 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -29.65697182, precision: 0.000000148| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2023a_serial_min | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2022a_serial_opt | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2022a_serial | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2022a_ppc | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2022a_mpi_min | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2023a_mpi_min | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2022a_mpi_opt | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2022a_serial_debug | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_intel-2022a_serial_omp | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2022a_mpi | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_intel-2023a_impi | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2022a_mpi_debug | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2022a_cuda_serial | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_intel-2022a_impi_omp | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |