Match comparison for Forces [step 1] (match type 22544)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.422367890290800e-02 | 2.910000000000000e-14 | -1.422367890291414e-02 | 4.189273869463528e-15 | -1.422367890291509e-02 | 7.105427357601002e-15 | PASS |
Checks for this match
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Detailed information
Reference: -0.014223678902908, precision: 0.0000000000000291| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -1.422367890290799e-02 | 1.214306433183765e-17 | 4.172874340837681e-04 | PASS |
| cmake_foss_2022a_full_serial | -1.422367890290999e-02 | -1.986258379993444e-15 | -6.825630171798777e-02 | PASS |
| cmake_foss_2022a_min_serial | -1.422367890290999e-02 | -1.986258379993444e-15 | -6.825630171798777e-02 | PASS |
| cmake_foss_2022a_full_mpi | -1.422367890291265e-02 | -4.650793639093820e-15 | -1.598210872540832e-01 | PASS |
| eb_fosscuda-2022a | -1.422367890291887e-02 | -1.086804257699470e-14 | -3.734722535049724e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.422367890291332e-02 | -5.316927453868914e-15 | -1.827122836381070e-01 | PASS |
| eb_foss-2022a_debug | -1.422367890290954e-02 | -1.542169170143382e-15 | -5.299550412863854e-02 | PASS |
| eb_foss-2022b_libxc6 | -1.422367890290954e-02 | -1.542169170143382e-15 | -5.299550412863854e-02 | PASS |
| eb_intel-2022a | -1.422367890291776e-02 | -9.757819552369540e-15 | -3.353202595315993e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.422367890291221e-02 | -4.206704429243757e-15 | -1.445602896647339e-01 | PASS |
| intel-2022b | -1.422367890291776e-02 | -9.757819552369540e-15 | -3.353202595315993e-01 | PASS |
| eb_intel-2022a_omp | -1.422367890291909e-02 | -1.109008718191973e-14 | -3.811026522996470e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.422367890291198e-02 | -3.984659824318726e-15 | -1.369298908700593e-01 | PASS |
| eb_intel-2022a_impi | -1.422367890292020e-02 | -1.220031020654488e-14 | -4.192546462730201e-01 | PASS |
| spack_foss-2022a_serial | -1.422367890291154e-02 | -3.540570614468663e-15 | -1.216690932807101e-01 | PASS |
| spack_foss-2022a_mpi | -1.422367890291532e-02 | -7.315328898194196e-15 | -2.513858727901785e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.422367890292220e-02 | -1.419871165087017e-14 | -4.879282354250917e-01 | PASS |
| spack_foss-2022a_serial_min | -1.422367890291154e-02 | -3.540570614468663e-15 | -1.216690932807101e-01 | PASS |
| intel-2022b_impi | -1.422367890292020e-02 | -1.220031020654488e-14 | -4.192546462730201e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.422367890291154e-02 | -3.540570614468663e-15 | -1.216690932807101e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.422367890291132e-02 | -3.318526009543632e-15 | -1.140386944860355e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.422367890290999e-02 | -1.986258379993444e-15 | -6.825630171798777e-02 | PASS |
| spack_foss-2022a_mpi_omp | -1.422367890291465e-02 | -6.649195083419102e-15 | -2.284946764061547e-01 | PASS |
| eb_intel-2022a_omp_impi | -1.422367890292020e-02 | -1.220031020654488e-14 | -4.192546462730201e-01 | PASS |