Match comparison for B3LYP Fock Eigenvalue dn (match type 12226)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -8.379245000000000e-01 | 3.910000000000000e-05 | -8.379555625000000e-01 | 1.718636359880588e-05 | -8.379245000000000e-01 | 3.550000000002163e-05 | PASS |
Checks for this match
- MPI builders have different values.
- GPU builders have different values. Intel® builders have different values.
Zen 4 builders have different values.
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Detailed information
Reference: -0.8379245, precision: 0.0000391| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -8.378890000000000e-01 | 3.549999999996611e-05 | 9.079283887459364e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -8.378890000000000e-01 | 3.549999999996611e-05 | 9.079283887459364e-01 | PASS |