Match comparison for X Coordinate Atom 1 [step 10] (match type 24687)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.148773280586094e-01 | 3.150000000000000e-15 | -3.148773280586093e-01 | 5.551115123125783e-17 | -3.148773280586094e-01 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -0.3148773280586094, precision: 0.00000000000000315| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2022a_ppc | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2022a_mpi_min | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2022a_mpi | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2022a_serial | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2022a_serial_min | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2023a_mpi | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2023a_serial_min | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2023a_serial | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2023b_serial | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_intel-2022a_serial_omp | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_intel-2023a_serial | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_intel-2023a_impi | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.148773280586094e-01 | 5.551115123125783e-17 | 1.762258769246280e-02 | PASS |