Match comparison for Initial energy (match type 22543)
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
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 | 3.552713678800501e-15 | -2.965697183000000e+01 | 0.000000000000000e+00 | PASS |
Checks for this match
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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-2023a_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-2023a_serial | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2023b_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_cuda_serial | -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-2023a_serial_omp | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2023a_mpi_opt | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2023a_serial_debug | -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_foss-2023a_mpi | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_foss-2023a_mpi_debug | -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_foss-2023a_mpi_omp | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| cmake_foss_2022a_min_serial | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| cmake_foss_2022a_full_serial | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| cmake_foss_2022a_min_mpi | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| cmake_foss_2022a_full_mpi | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_intel-2023a_serial | -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_intel-2022a_impi_omp | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |
| spack_intel-2023a_impi | -2.965697183000000e+01 | -1.000000082740371e-08 | -6.756757315813318e-02 | PASS |