Match comparison for X Force Atom 1 [step 20] (match type 24692)
Commits >
Commit 0043f87fd1086e2efddabd576c31b5184d964264 >
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 | -4.668037079610553e+00 | 2.140655354609230e-14 | -4.668037079610554e+00 | 4.707345624410664e-14 | PASS |
Checks for this match
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Detailed information
Reference: -4.668037079772286, precision: 0.000000000178| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -4.668037079610507e+00 | 1.617790346131187e-10 | 9.088709809725770e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.668037079610547e+00 | 1.617390665842322e-10 | 9.086464414844505e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.668037079610547e+00 | 1.617390665842322e-10 | 9.086464414844505e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.668037079610564e+00 | 1.617213030158382e-10 | 9.085466461563944e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.668037079610561e+00 | 1.617248557295170e-10 | 9.085666052220056e-01 | PASS |
| spack_foss-2022a_mpi | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| spack_foss-2022a_serial_min | -4.668037079610547e+00 | 1.617390665842322e-10 | 9.086464414844505e-01 | PASS |
| spack_foss-2022a_serial | -4.668037079610547e+00 | 1.617390665842322e-10 | 9.086464414844505e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| spack_foss-2023a_mpi | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.668037079610553e+00 | 1.617328493352943e-10 | 9.086115131196308e-01 | PASS |
| spack_foss-2023a_serial | -4.668037079610547e+00 | 1.617390665842322e-10 | 9.086464414844505e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| spack_foss-2023a_serial_min | -4.668037079610547e+00 | 1.617390665842322e-10 | 9.086464414844505e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.668037079610547e+00 | 1.617390665842322e-10 | 9.086464414844505e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| spack_intel-2023a_impi | -4.668037079610539e+00 | 1.617470601900095e-10 | 9.086913493820759e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.668037079610547e+00 | 1.617390665842322e-10 | 9.086464414844505e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.668037079610590e+00 | 1.616955458416669e-10 | 9.084019429307129e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.668037079610590e+00 | 1.616955458416669e-10 | 9.084019429307129e-01 | PASS |
| spack_foss-2023b_serial | -4.668037079610547e+00 | 1.617390665842322e-10 | 9.086464414844505e-01 | PASS |
| spack_intel-2023a_serial | -4.668037079610567e+00 | 1.617186384805791e-10 | 9.085316768571859e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.668037079610601e+00 | 1.616848877006305e-10 | 9.083420657338792e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.668037079610601e+00 | 1.616848877006305e-10 | 9.083420657338792e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.668037079610575e+00 | 1.617106448748018e-10 | 9.084867689595606e-01 | PASS |