Match comparison for Forces [step 5] (match type 22545)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.618874990413800e-03 | 1.590000000000000e-14 | -7.618874990417020e-03 | 5.675343236794329e-15 | -7.618874990417135e-03 | 1.132427485117660e-14 | PASS |
Checks for this match
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Detailed information
Reference: -0.0076188749904138, precision: 0.0000000000000159| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -7.618874990413804e-03 | -4.336808689942018e-18 | -2.727552635183659e-04 | PASS |
| spack_foss-2022a_serial_min | -7.618874990413138e-03 | 6.617970060851519e-16 | 4.162245321290264e-02 | PASS |
| foss-2022a_ppc | -7.618874990405811e-03 | 7.989268968611185e-15 | 5.024697464535336e-01 | PASS |
| spack_foss-2022a_serial_opt | -7.618874990413804e-03 | -4.336808689942018e-18 | -2.727552635183659e-04 | PASS |
| spack_foss-2022a_serial | -7.618874990413138e-03 | 6.617970060851519e-16 | 4.162245321290264e-02 | PASS |
| foss-2022a_opt | -7.618874990413804e-03 | -4.336808689942018e-18 | -2.727552635183659e-04 | PASS |
| intel-2022b | -7.618874990423130e-03 | -9.330210215541257e-15 | -5.868056739334123e-01 | PASS |
| intel-2022a | -7.618874990423130e-03 | -9.330210215541257e-15 | -5.868056739334123e-01 | PASS |
| spack_foss-2022a_serial_omp | -7.618874990413360e-03 | 4.397524011601206e-16 | 2.765738372076230e-02 | PASS |
| cmake_foss_2022a_full_mpi | -7.618874990417579e-03 | -3.779095092415474e-15 | -2.376789366299040e-01 | PASS |
| spack_foss-2022a_serial_debug | -7.618874990413138e-03 | 6.617970060851519e-16 | 4.162245321290264e-02 | PASS |
| foss-2022a_omp | -7.618874990411806e-03 | 1.994064635635340e-15 | 1.254128701657446e-01 | PASS |
| intel-2022a_omp | -7.618874990422908e-03 | -9.108165610616226e-15 | -5.728406044412720e-01 | PASS |
| intel-2022b_impi | -7.618874990425129e-03 | -1.132861165986654e-14 | -7.124912993626754e-01 | PASS |
| intel-2022a_impi | -7.618874990425129e-03 | -1.132861165986654e-14 | -7.124912993626754e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -7.618874990426683e-03 | -1.288292389434176e-14 | -8.102467858076577e-01 | PASS |
| eb_fosscuda-2022a | -7.618874990423796e-03 | -9.996344030316351e-15 | -6.287008824098334e-01 | PASS |
| cmake_foss_2022a_min_serial | -7.618874990413804e-03 | -4.336808689942018e-18 | -2.727552635183659e-04 | PASS |
| foss-2022a_mpi_omp | -7.618874990414914e-03 | -1.114559833315099e-15 | -7.009810272422003e-02 | PASS |
| cmake_foss_2022a_min_mpi | -7.618874990417357e-03 | -3.557050487490443e-15 | -2.237138671377637e-01 | PASS |
| eb_foss-2022a | -7.618874990411140e-03 | 2.660198450410434e-15 | 1.673080786421656e-01 | PASS |
| eb_foss-2022b_libxc6 | -7.618874990411584e-03 | 2.216109240560371e-15 | 1.393779396578850e-01 | PASS |
| eb_foss-2022a_debug | -7.618874990411140e-03 | 2.660198450410434e-15 | 1.673080786421656e-01 | PASS |
| intel-2022a_omp_impi | -7.618874990428459e-03 | -1.465928073374201e-14 | -9.219673417447803e-01 | PASS |
| eb_foss-2022a_mpi | -7.618874990416691e-03 | -2.890916672715349e-15 | -1.818186586613427e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -7.618874990418467e-03 | -4.667273512115599e-15 | -2.935392145984654e-01 | PASS |
| eb_foss-2022a_mpi_debug | -7.618874990416691e-03 | -2.890916672715349e-15 | -1.818186586613427e-01 | PASS |