Match comparison for Hartree energy (match type 29833)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.236158307700000e+02 | 7.780000000000000e-06 | -5.236158348162500e+02 | 1.097369203741988e-07 | -5.236158349100000e+02 | 2.000000449697836e-07 | PASS |
Checks for this match
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Zen 4 builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -523.61583077, precision: 0.00000778| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -5.236158347099999e+02 | -3.939999942303984e-06 | -5.064267278025687e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -5.236158347099999e+02 | -3.939999942303984e-06 | -5.064267278025687e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -5.236158351100000e+02 | -4.340000032243552e-06 | -5.578406211109963e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -5.236158349200000e+02 | -4.149999995206599e-06 | -5.334190225201284e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -5.236158349200000e+02 | -4.149999995206599e-06 | -5.334190225201284e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -5.236158349400000e+02 | -4.170000011072261e-06 | -5.359897186468202e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -5.236158351100000e+02 | -4.340000032243552e-06 | -5.578406211109963e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -5.236158349500000e+02 | -4.180000019005092e-06 | -5.372750667101661e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -5.236158349500000e+02 | -4.180000019005092e-06 | -5.372750667101661e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -5.236158347500000e+02 | -3.979999974035309e-06 | -5.115681200559523e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -5.236158349200000e+02 | -4.149999995206599e-06 | -5.334190225201284e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -5.236158348900000e+02 | -4.119999971408106e-06 | -5.295629783300907e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -5.236158349000000e+02 | -4.129999979340937e-06 | -5.308483263934366e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -5.236158348800000e+02 | -4.109999963475275e-06 | -5.282776302667448e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -5.236158347099999e+02 | -3.939999942303984e-06 | -5.064267278025687e-01 | PASS |