Match comparison for Energy [step 20] (match type 24686)
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
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 | -2.470793229359654e+01 | 5.650277056576821e-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] | -2.470793229359559e+01 | -5.638156608256395e-12 | -2.936539900133539e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -2.470793229359559e+01 | -5.638156608256395e-12 | -2.936539900133539e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.470793229359559e+01 | -5.638156608256395e-12 | -2.936539900133539e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -2.470793229359559e+01 | -5.638156608256395e-12 | -2.936539900133539e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -2.470793229359559e+01 | -5.638156608256395e-12 | -2.936539900133539e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.470793229359559e+01 | -5.638156608256395e-12 | -2.936539900133539e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.470793229359559e+01 | -5.638156608256395e-12 | -2.936539900133539e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.470793229359559e+01 | -5.638156608256395e-12 | -2.936539900133539e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.470793229360150e+01 | -1.154987216978043e-11 | -6.015558421760641e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.470793229359559e+01 | -5.638156608256395e-12 | -2.936539900133539e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.470793229359546e+01 | -5.510258915819577e-12 | -2.869926518656030e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.470793229359546e+01 | -5.510258915819577e-12 | -2.869926518656030e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -2.470793229359546e+01 | -5.510258915819577e-12 | -2.869926518656030e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -2.470793229359546e+01 | -5.510258915819577e-12 | -2.869926518656030e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.470793229359546e+01 | -5.506706202140776e-12 | -2.868076146948321e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.470793229359546e+01 | -5.506706202140776e-12 | -2.868076146948321e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -2.470793229359559e+01 | -5.638156608256395e-12 | -2.936539900133539e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.470793229359548e+01 | -5.531575197892380e-12 | -2.881028748902281e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.470793229359546e+01 | -5.506706202140776e-12 | -2.868076146948321e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.470793229360149e+01 | -1.154276674242283e-11 | -6.011857678345223e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.470793229360149e+01 | -1.154276674242283e-11 | -6.011857678345223e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.470793229357249e+01 | 1.745448230394686e-11 | 9.090876199972324e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.470793229359546e+01 | -5.506706202140776e-12 | -2.868076146948321e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.470793229359546e+01 | -5.506706202140776e-12 | -2.868076146948321e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.470793229359546e+01 | -5.506706202140776e-12 | -2.868076146948321e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.470793229360144e+01 | -1.149658146459842e-11 | -5.987802846145012e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.470793229359546e+01 | -5.513811629498377e-12 | -2.871776890363739e-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 |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.470793229360733e+01 | -1.737987531669205e-11 | -9.052018394110444e-01 | PASS |