Match comparison for Forces [step 5] (match type 22545)
Commits >
Commit 17b096911440bfe83ad69af07734b73ecc024f80 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.618874990413800e-03 | 2.500000000000000e-14 | -7.618874990418418e-03 | 5.393218995500957e-15 | -7.618874990420577e-03 | 9.436895709313831e-15 | PASS |
Checks for this match
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Detailed information
Reference: -0.0076188749904138, precision: 0.000000000000025| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| spack_foss-2023a_serial_min | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| spack_foss-2023a_serial_opt | -7.618874990413804e-03 | -4.336808689942018e-18 | -1.734723475976807e-04 | PASS |
| spack_foss-2023a_serial | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| spack_foss-2023b_serial | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| spack_foss-2022a_ppc | -7.618874990411140e-03 | 2.660198450410434e-15 | 1.064079380164173e-01 | PASS |
| spack_foss-2023a_mpi_min | -7.618874990419355e-03 | -5.555451931815725e-15 | -2.222180772726290e-01 | PASS |
| spack_foss-2023a_serial_debug | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| spack_intel-2022a_serial_omp | -7.618874990425795e-03 | -1.199474547464163e-14 | -4.797898189856653e-01 | PASS |
| spack_foss-2023a_serial_omp | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| spack_foss-2023a_mpi_opt | -7.618874990417579e-03 | -3.779095092415474e-15 | -1.511638036966190e-01 | PASS |
| cmake_foss_2022a_full_mpi | -7.618874990417579e-03 | -3.779095092415474e-15 | -1.511638036966190e-01 | PASS |
| spack_foss-2023a_mpi | -7.618874990419355e-03 | -5.555451931815725e-15 | -2.222180772726290e-01 | PASS |
| spack_intel-2023a_impi | -7.618874990427571e-03 | -1.377110231404188e-14 | -5.508440925616753e-01 | PASS |
| spack_foss-2023a_mpi_debug | -7.618874990419355e-03 | -5.555451931815725e-15 | -2.222180772726290e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -7.618874990427349e-03 | -1.354905770911685e-14 | -5.419623083646741e-01 | PASS |
| spack_foss-2023a_mpi_omp | -7.618874990419355e-03 | -5.555451931815725e-15 | -2.222180772726290e-01 | PASS |
| cmake_foss_2022a_min_serial | -7.618874990413804e-03 | -4.336808689942018e-18 | -1.734723475976807e-04 | PASS |
| cmake_foss_2022a_full_serial | -7.618874990413804e-03 | -4.336808689942018e-18 | -1.734723475976807e-04 | PASS |
| cmake_foss_2022a_min_mpi | -7.618874990417357e-03 | -3.557050487490443e-15 | -1.422820194996177e-01 | PASS |
| spack_foss-2022a_serial | -7.618874990413138e-03 | 6.617970060851519e-16 | 2.647188024340608e-02 | PASS |
| spack_foss-2022a_mpi_min | -7.618874990419355e-03 | -5.555451931815725e-15 | -2.222180772726290e-01 | PASS |
| spack_intel-2022a_impi_omp | -7.618874990430013e-03 | -1.621359296821723e-14 | -6.485437187286891e-01 | PASS |
| spack_intel-2023a_serial | -7.618874990424462e-03 | -1.066247784509144e-14 | -4.264991138036578e-01 | PASS |
| spack_foss-2022a_mpi | -7.618874990419355e-03 | -5.555451931815725e-15 | -2.222180772726290e-01 | PASS |
| spack_intel-2023a_serial_omp | -7.618874990425795e-03 | -1.199474547464163e-14 | -4.797898189856653e-01 | PASS |
| spack_foss-2022a_cuda_serial | -7.618874990423130e-03 | -9.330210215541257e-15 | -3.732084086216503e-01 | PASS |