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 | -8.379516470588236e-01 | 2.287547151934734e-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.
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Detailed information
Reference: -0.8379245, precision: 0.0000391| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-serial: [foss2023a-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 |
| intel-min-parallel: [intel2022a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| ppc: [foss2023a-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -8.378890000000000e-01 | 3.549999999996611e-05 | 9.079283887459364e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -8.378890000000000e-01 | 3.549999999996611e-05 | 9.079283887459364e-01 | PASS |