Match comparison for Energy [step 20] (match type 24686)
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.470793229358995e+01 | 1.920000000000000e-11 | -2.470793229359653e+01 | 5.649843862551238e-12 | -2.470793229358995e+01 | 1.745625866078626e-11 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -24.70793229358995, precision: 0.0000000000192| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -2.470793229359560e+01 | -5.648814749292796e-12 | -2.942091015256665e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -2.470793229359560e+01 | -5.648814749292796e-12 | -2.942091015256665e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.470793229359560e+01 | -5.648814749292796e-12 | -2.942091015256665e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -2.470793229359560e+01 | -5.648814749292796e-12 | -2.942091015256665e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.470793229359560e+01 | -5.648814749292796e-12 | -2.942091015256665e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.470793229359560e+01 | -5.648814749292796e-12 | -2.942091015256665e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.470793229359560e+01 | -5.648814749292796e-12 | -2.942091015256665e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.470793229360149e+01 | -1.153921402874403e-11 | -6.010007306637515e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.470793229359560e+01 | -5.648814749292796e-12 | -2.942091015256665e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.470793229359560e+01 | -5.648814749292796e-12 | -2.942091015256665e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.470793229359546e+01 | -5.506706202140776e-12 | -2.868076146948321e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.470793229359546e+01 | -5.506706202140776e-12 | -2.868076146948321e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.470793229359546e+01 | -5.506706202140776e-12 | -2.868076146948321e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.470793229359543e+01 | -5.481837206389173e-12 | -2.855123544994361e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.470793229359543e+01 | -5.481837206389173e-12 | -2.855123544994361e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.470793229359548e+01 | -5.535127911571180e-12 | -2.882879120609990e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.470793229359543e+01 | -5.481837206389173e-12 | -2.855123544994361e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.470793229359543e+01 | -5.481837206389173e-12 | -2.855123544994361e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.470793229359543e+01 | -5.481837206389173e-12 | -2.855123544994361e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.470793229360146e+01 | -1.150723960563482e-11 | -5.993353961268137e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.470793229360146e+01 | -1.150723960563482e-11 | -5.993353961268137e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.470793229359546e+01 | -5.506706202140776e-12 | -2.868076146948321e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -2.470793229359560e+01 | -5.648814749292796e-12 | -2.942091015256665e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.470793229357249e+01 | 1.745448230394686e-11 | 9.090876199972324e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.470793229360147e+01 | -1.152145046035002e-11 | -6.000755448098971e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.470793229359543e+01 | -5.481837206389173e-12 | -2.855123544994361e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.470793229359544e+01 | -5.496048061104375e-12 | -2.862525031825195e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.470793229360734e+01 | -1.739053345772845e-11 | -9.057569509233570e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.470793229360147e+01 | -1.152145046035002e-11 | -6.000755448098971e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.470793229360741e+01 | -1.745803501762566e-11 | -9.092726571680032e-01 | PASS |