Match comparison for X Force Atom 1 [step 20] (match type 24692)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.668037079772286e+00 | 1.780000000000000e-10 | -4.668037079610539e+00 | 1.474849195226214e-14 | -4.668037079610531e+00 | 3.286260152890463e-14 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -4.668037079772286, precision: 0.000000000178| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -4.668037079610499e+00 | 1.617870282188960e-10 | 9.089158888702022e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.668037079610544e+00 | 1.617417311194913e-10 | 9.086614107836590e-01 | PASS |
| spack_foss-2022a_serial | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| spack_foss-2022a_mpi | -4.668037079610530e+00 | 1.617559419742065e-10 | 9.087412470461039e-01 | PASS |
| spack_foss-2022a_serial_min | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.668037079610530e+00 | 1.617559419742065e-10 | 9.087412470461039e-01 | PASS |
| spack_foss-2022a_mpi_opt | -4.668037079610530e+00 | 1.617559419742065e-10 | 9.087412470461039e-01 | PASS |
| spack_foss-2022a_serial_opt | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| spack_foss-2022a_serial_debug | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| spack_foss-2023a_serial | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.668037079610524e+00 | 1.617612710447247e-10 | 9.087711856445208e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.668037079610553e+00 | 1.617328493352943e-10 | 9.086115131196308e-01 | PASS |
| spack_foss-2022a_mpi_debug | -4.668037079610530e+00 | 1.617559419742065e-10 | 9.087412470461039e-01 | PASS |
| spack_foss-2023a_serial_min | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.668037079610564e+00 | 1.617213030158382e-10 | 9.085466461563944e-01 | PASS |
| spack_intel-2023a_serial | -4.668037079610558e+00 | 1.617275202647761e-10 | 9.085815745212140e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.668037079610564e+00 | 1.617213030158382e-10 | 9.085466461563944e-01 | PASS |
| spack_intel-2023a_impi | -4.668037079610530e+00 | 1.617559419742065e-10 | 9.087412470461039e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |