Match comparison for Energy [step 50] (match type 25453)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.239415486217932e+02 | 7.550000000000000e-09 | -1.239415486249594e+02 | 1.059229927934433e-09 | -1.239415486243435e+02 | 1.488331236032536e-09 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -123.9415486217932, precision: 0.00000000755| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -1.239415486231140e+02 | -1.320785258940305e-09 | -1.749384448927556e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.239415486256675e+02 | -3.874248477586661e-09 | -5.131454937200877e-01 | PASS |
| foss-2022a_opt | -1.239415486256168e+02 | -3.823572569672251e-09 | -5.064334529367220e-01 | PASS |
| intel-2022a | -1.239415486237121e+02 | -1.918863290484296e-09 | -2.541540782098405e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.239415486256580e+02 | -3.864784048346337e-09 | -5.118919269332897e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.239415486256675e+02 | -3.874248477586661e-09 | -5.131454937200877e-01 | PASS |
| foss-2022a_omp | -1.239415486256434e+02 | -3.850161078844394e-09 | -5.099551097807145e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.239415486256631e+02 | -3.869899956043810e-09 | -5.125695306018291e-01 | PASS |
| eb_fosscuda-2022a | -1.239415486228858e+02 | -1.092558932214160e-09 | -1.447097923462464e-01 | PASS |
| intel-2022a_impi | -1.239415486237059e+02 | -1.912695779537898e-09 | -2.533371893427680e-01 | PASS |
| eb_foss-2022a | -1.239415486256168e+02 | -3.823572569672251e-09 | -5.064334529367220e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.239415486228552e+02 | -1.062005594576476e-09 | -1.406629926591359e-01 | PASS |
| eb_foss-2022a_debug | -1.239415486256168e+02 | -3.823572569672251e-09 | -5.064334529367220e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.239415486258319e+02 | -4.038668066641549e-09 | -5.349229227339800e-01 | PASS |
| eb_foss-2022a_mpi | -1.239415486256521e+02 | -3.858943387058389e-09 | -5.111183294117072e-01 | PASS |
| foss-2022a_mpi_omp | -1.239415486256655e+02 | -3.872344223054824e-09 | -5.128932745767979e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.239415486255686e+02 | -3.775397772187716e-09 | -5.000526850579757e-01 | PASS |
| intel-2022b | -1.239415486237121e+02 | -1.918863290484296e-09 | -2.541540782098405e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.239415486256521e+02 | -3.858943387058389e-09 | -5.111183294117072e-01 | PASS |
| spack_foss-2022a_serial | -1.239415486256675e+02 | -3.874248477586661e-09 | -5.131454937200877e-01 | PASS |
| intel-2022a_omp | -1.239415486232964e+02 | -1.503210000919353e-09 | -1.991006623734242e-01 | PASS |
| spack_foss-2022a_mpi | -1.239415486256580e+02 | -3.864784048346337e-09 | -5.118919269332897e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.239415486256675e+02 | -3.874248477586661e-09 | -5.131454937200877e-01 | PASS |
| spack_foss-2022a_serial_min | -1.239415486256675e+02 | -3.874248477586661e-09 | -5.131454937200877e-01 | PASS |
| intel-2022b_impi | -1.239415486237059e+02 | -1.912695779537898e-09 | -2.533371893427680e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.239415486256448e+02 | -3.851553742606484e-09 | -5.101395685571501e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.239415486256675e+02 | -3.874248477586661e-09 | -5.131454937200877e-01 | PASS |
| spack_foss-2022a_mpi_omp | -1.239415486256491e+02 | -3.855859631585190e-09 | -5.107098849781709e-01 | PASS |
| intel-2022a_omp_impi | -1.239415486236927e+02 | -1.899479684652761e-09 | -2.515867131990411e-01 | PASS |