Match comparison for X Force Atom 1 [step 20] (match type 24692)
Commits >
Commit 0eb882d93dcc47f8554e98f5f256d6c6053dae9c >
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 | -4.668037079610564e+00 | 2.110276260427869e-14 | -4.668037079610556e+00 | 5.018208071305708e-14 | PASS |
Checks for this match
- OpenMP builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -4.668037079772286, precision: 0.000000000178| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -4.668037079610567e+00 | 1.617186384805791e-10 | 9.085316768571859e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.668037079610567e+00 | 1.617186384805791e-10 | 9.085316768571859e-01 | PASS |
| spack_foss-2022a_serial_min | -4.668037079610567e+00 | 1.617186384805791e-10 | 9.085316768571859e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.668037079610567e+00 | 1.617186384805791e-10 | 9.085316768571859e-01 | PASS |
| spack_foss-2022a_serial | -4.668037079610567e+00 | 1.617186384805791e-10 | 9.085316768571859e-01 | PASS |
| spack_foss-2023a_serial | -4.668037079610567e+00 | 1.617186384805791e-10 | 9.085316768571859e-01 | PASS |
| spack_foss-2022a_ppc | -4.668037079610507e+00 | 1.617790346131187e-10 | 9.088709809725770e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.668037079610550e+00 | 1.617355138705534e-10 | 9.086264824188394e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.668037079610553e+00 | 1.617328493352943e-10 | 9.086115131196308e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.668037079610550e+00 | 1.617355138705534e-10 | 9.086264824188394e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.668037079610550e+00 | 1.617355138705534e-10 | 9.086264824188394e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.668037079610595e+00 | 1.616902167711487e-10 | 9.083720043322960e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.668037079610567e+00 | 1.617186384805791e-10 | 9.085316768571859e-01 | PASS |
| spack_foss-2022a_mpi | -4.668037079610550e+00 | 1.617355138705534e-10 | 9.086264824188394e-01 | PASS |
| spack_foss-2023a_mpi | -4.668037079610550e+00 | 1.617355138705534e-10 | 9.086264824188394e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.668037079610550e+00 | 1.617355138705534e-10 | 9.086264824188394e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.668037079610595e+00 | 1.616902167711487e-10 | 9.083720043322960e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.668037079610550e+00 | 1.617355138705534e-10 | 9.086264824188394e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.668037079610584e+00 | 1.617017630906048e-10 | 9.084368712955325e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.668037079610567e+00 | 1.617186384805791e-10 | 9.085316768571859e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.668037079610550e+00 | 1.617355138705534e-10 | 9.086264824188394e-01 | PASS |
| spack_foss-2023b_serial | -4.668037079610567e+00 | 1.617186384805791e-10 | 9.085316768571859e-01 | PASS |
| spack_intel-2023a_serial | -4.668037079610567e+00 | 1.617186384805791e-10 | 9.085316768571859e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.668037079610607e+00 | 1.616786704516926e-10 | 9.083071373690595e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.668037079610607e+00 | 1.616786704516926e-10 | 9.083071373690595e-01 | PASS |
| spack_intel-2023a_impi | -4.668037079610536e+00 | 1.617497247252686e-10 | 9.087063186812843e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.668037079610575e+00 | 1.617106448748018e-10 | 9.084867689595606e-01 | PASS |