Match comparison for Energy [step 10] (match type 14082)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.790950309455620e+01 | 1.900000000000000e-12 | -3.790950309455622e+01 | 5.916450616797797e-14 | -3.790950309455619e+01 | 1.456612608308205e-13 | PASS |
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Detailed information
Reference: -37.9095030945562, precision: 0.0000000000019| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.790950309455629e+01 | -8.526512829121202e-14 | -4.487638331116423e-02 | PASS |
| spack_foss-2022a_ppc | -3.790950309455616e+01 | 3.552713678800501e-14 | 1.869849304631842e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.790950309455629e+01 | -8.526512829121202e-14 | -4.487638331116423e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.790950309455619e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| cmake_foss_2022a_full_mpi | -3.790950309455620e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | -3.790950309455624e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| spack_foss-2022a_mpi | -3.790950309455624e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| spack_foss-2022a_serial | -3.790950309455624e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| spack_foss-2022a_serial_min | -3.790950309455624e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| spack_foss-2023a_mpi | -3.790950309455624e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.790950309455624e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| spack_foss-2023a_serial_min | -3.790950309455624e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| spack_foss-2023a_serial | -3.790950309455624e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.790950309455620e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | -3.790950309455624e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.790950309455629e+01 | -8.526512829121202e-14 | -4.487638331116423e-02 | PASS |
| spack_foss-2023b_serial | -3.790950309455624e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.790950309455624e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.790950309455625e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| spack_intel-2022a_serial_omp | -3.790950309455615e+01 | 4.973799150320701e-14 | 2.617789026484580e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.790950309455622e+01 | -2.131628207280301e-14 | -1.121909582779106e-02 | PASS |
| spack_intel-2023a_serial | -3.790950309455624e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| spack_intel-2023a_impi | -3.790950309455604e+01 | 1.563194018672220e-13 | 8.227336940380107e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.790950309455619e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| spack_intel-2023a_serial_omp | -3.790950309455615e+01 | 4.973799150320701e-14 | 2.617789026484580e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.790950309455609e+01 | 1.136868377216160e-13 | 5.983517774821896e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.790950309455634e+01 | -1.350031197944190e-13 | -7.105427357601002e-02 | PASS |