Match comparison for B3LYP Fock Total (match type 12229)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.764007400000000e-01 | 1.810000000000000e-05 | -5.764146507692308e-01 | 8.761512392751851e-06 | -5.764007400000000e-01 | 1.644000000000645e-05 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.57640074, precision: 0.0000181| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| intel-serial: [intel2023a-serial] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -5.764171800000000e-01 | -1.644000000000645e-05 | -9.082872928180359e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -5.763843000000000e-01 | 1.644000000000645e-05 | 9.082872928180359e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -5.763843000000000e-01 | 1.644000000000645e-05 | 9.082872928180359e-01 | PASS |