Match comparison for Multipoles [step 0] (match type 18623)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Input 15-electronic_system_restart.04-td_restart_part2.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.744248104320451e-16 | 4.500000000000000e-15 | 5.812427391375023e-16 | 1.933084375928583e-15 | 8.275743981702061e-17 | 3.453968160067140e-15 | PASS |
Checks for this match
- Precision seems large and value close to zero. Should value be 0?
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.0000000000000006744248104320451, precision: 0.0000000000000045| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 1.913757116645508e-15 | 1.239332306213463e-15 | 2.754071791585473e-01 | PASS |
| spack_foss-2023a_serial_min | 1.913757116645508e-15 | 1.239332306213463e-15 | 2.754071791585473e-01 | PASS |
| spack_foss-2022a_serial | 1.913757116645508e-15 | 1.239332306213463e-15 | 2.754071791585473e-01 | PASS |
| spack_foss-2023a_serial | 1.913757116645508e-15 | 1.239332306213463e-15 | 2.754071791585473e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.371210720250119e-15 | -4.045635530682164e-15 | -8.990301179293699e-01 | PASS |
| spack_foss-2022a_ppc | 2.128942103174231e-15 | 1.454517292742186e-15 | 3.232260650538192e-01 | PASS |
| spack_foss-2023a_mpi_min | -5.426241731333950e-16 | -1.217048983565440e-15 | -2.704553296812089e-01 | PASS |
| spack_foss-2022a_mpi_min | -5.426241731333950e-16 | -1.217048983565440e-15 | -2.704553296812089e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.444677761007791e-16 | -4.299570343312660e-16 | -9.554600762917022e-02 | PASS |
| spack_foss-2023a_serial_debug | 1.913757116645508e-15 | 1.239332306213463e-15 | 2.754071791585473e-01 | PASS |
| spack_foss-2023a_mpi_opt | 2.444677761007791e-16 | -4.299570343312660e-16 | -9.554600762917022e-02 | PASS |
| spack_foss-2022a_mpi | -5.426241731333950e-16 | -1.217048983565440e-15 | -2.704553296812089e-01 | PASS |
| spack_foss-2023a_mpi | -5.426241731333950e-16 | -1.217048983565440e-15 | -2.704553296812089e-01 | PASS |
| spack_foss-2022a_cuda_serial | 2.517952521290633e-15 | 1.843527710858587e-15 | 4.096728246352417e-01 | PASS |
| cmake_foss_2022a_min_mpi | 4.317019154263454e-16 | -2.427228950056996e-16 | -5.393842111237770e-02 | PASS |
| spack_foss-2023a_mpi_debug | -5.426241731333950e-16 | -1.217048983565440e-15 | -2.704553296812089e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.202167271979748e-15 | 5.277424615477032e-16 | 1.172761025661563e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.111155000816822e-15 | 1.436730190384777e-15 | 3.192733756410616e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.371210720250119e-15 | -4.045635530682164e-15 | -8.990301179293699e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.371210720250119e-15 | -4.045635530682164e-15 | -8.990301179293699e-01 | PASS |
| spack_foss-2023b_serial | 1.913757116645508e-15 | 1.239332306213463e-15 | 2.754071791585473e-01 | PASS |
| spack_foss-2023a_serial_omp | 3.155093374063167e-15 | 2.480668563631122e-15 | 5.512596808069159e-01 | PASS |
| spack_intel-2023a_serial | 1.191637791859903e-15 | 5.172129814278578e-16 | 1.149362180950795e-01 | PASS |
| spack_intel-2022a_serial_omp | 3.536725599884161e-15 | 2.862300789452115e-15 | 6.360668421004702e-01 | PASS |
| spack_intel-2023a_serial_omp | 3.536725599884161e-15 | 2.862300789452115e-15 | 6.360668421004702e-01 | PASS |
| spack_intel-2023a_impi | -1.395107906152285e-15 | -2.069532716584330e-15 | -4.598961592409622e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.031924545813467e-15 | -1.706349356245512e-15 | -3.791887458323361e-01 | PASS |
| spack_foss-2023a_valgrind | -2.549972562206244e-16 | -9.294220666526696e-16 | -2.065382370339266e-01 | PASS |