Match comparison for Energy [step 20] (match type 24686)
Commits >
Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.470792539565124e+01 | 2.470000000000000e-13 | -2.470792539565125e+01 | 4.112563410810646e-14 | -2.470792539565124e+01 | 9.769962616701378e-14 | PASS |
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Detailed information
Reference: -24.70792539565124, precision: 0.000000000000247| Run | Value | Difference | Relative difference | Status |
| spack_intel-2023a_impi | -2.470792539565131e+01 | -6.750155989720952e-14 | -2.732856676000385e-01 | PASS |
| spack_foss-2022a_ppc | -2.470792539565134e+01 | -1.030286966852145e-13 | -4.171202294947957e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.470792539565127e+01 | -3.197442310920451e-14 | -1.294511057052814e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.470792539565125e+01 | -7.105427357601002e-15 | -2.876691237895142e-02 | PASS |
| cmake_foss_2022a_min_serial | -2.470792539565127e+01 | -3.197442310920451e-14 | -1.294511057052814e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.470792539565122e+01 | 2.486899575160351e-14 | 1.006841933263300e-01 | PASS |
| spack_foss-2022a_mpi | -2.470792539565125e+01 | -7.105427357601002e-15 | -2.876691237895142e-02 | PASS |
| spack_foss-2022a_mpi_min | -2.470792539565125e+01 | -7.105427357601002e-15 | -2.876691237895142e-02 | PASS |
| spack_foss-2022a_serial_min | -2.470792539565127e+01 | -3.197442310920451e-14 | -1.294511057052814e-01 | PASS |
| spack_foss-2022a_serial | -2.470792539565127e+01 | -3.197442310920451e-14 | -1.294511057052814e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.470792539565117e+01 | 7.105427357601002e-14 | 2.876691237895143e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.470792539565125e+01 | -7.105427357601002e-15 | -2.876691237895142e-02 | PASS |
| spack_foss-2023a_serial | -2.470792539565127e+01 | -3.197442310920451e-14 | -1.294511057052814e-01 | PASS |
| spack_foss-2023a_serial_min | -2.470792539565127e+01 | -3.197442310920451e-14 | -1.294511057052814e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.470792539565125e+01 | -1.065814103640150e-14 | -4.315036856842713e-02 | PASS |
| spack_foss-2023a_mpi | -2.470792539565125e+01 | -7.105427357601002e-15 | -2.876691237895142e-02 | PASS |
| spack_foss-2023a_mpi_opt | -2.470792539565125e+01 | -7.105427357601002e-15 | -2.876691237895142e-02 | PASS |
| spack_foss-2023a_serial_debug | -2.470792539565127e+01 | -3.197442310920451e-14 | -1.294511057052814e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.470792539565127e+01 | -3.197442310920451e-14 | -1.294511057052814e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.470792539565115e+01 | 9.237055564881302e-14 | 3.739698609263685e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.470792539565125e+01 | -7.105427357601002e-15 | -2.876691237895142e-02 | PASS |
| spack_foss-2023b_serial | -2.470792539565127e+01 | -3.197442310920451e-14 | -1.294511057052814e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.470792539565116e+01 | 8.171241461241152e-14 | 3.308194923579414e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.470792539565125e+01 | -1.065814103640150e-14 | -4.315036856842713e-02 | PASS |
| spack_intel-2023a_serial | -2.470792539565130e+01 | -6.039613253960852e-14 | -2.445187552210871e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.470792539565124e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | -2.470792539565126e+01 | -1.776356839400250e-14 | -7.191728094737856e-02 | PASS |