Match comparison for Hartree energy (match type 30592)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.954895868660000e+03 | 4.100000000000000e-05 | 3.954895869541923e+03 | 9.692887549106705e-06 | 3.954895892670000e+03 | 2.531999984967115e-05 | FAIL |
Checks for this match
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Detailed information
Reference: 3954.89586866, precision: 0.000041| Run | Value | Difference | Relative difference | Status |
| foss-ppc: [foss2022a-serial] | 3.954895867540000e+03 | -1.119999978982378e-06 | -2.731707265810678e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | 3.954895867550000e+03 | -1.110000084736384e-06 | -2.707317279844840e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | 3.954895867540000e+03 | -1.119999978982378e-06 | -2.731707265810678e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | 3.954895867550000e+03 | -1.110000084736384e-06 | -2.707317279844840e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | 3.954895867550000e+03 | -1.110000084736384e-06 | -2.707317279844840e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | 3.954895867620000e+03 | -1.039999915519729e-06 | -2.536585159804218e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 3.954895867350000e+03 | -1.309999788645655e-06 | -3.195121435721109e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 3.954895867580000e+03 | -1.079999947251054e-06 | -2.634146212807448e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | 3.954895867620000e+03 | -1.039999915519729e-06 | -2.536585159804218e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | 3.954895867620000e+03 | -1.039999915519729e-06 | -2.536585159804218e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | 3.954895867550000e+03 | -1.110000084736384e-06 | -2.707317279844840e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 3.954895867540000e+03 | -1.119999978982378e-06 | -2.731707265810678e-02 | PASS |
| intel-serial: [intel2023a-serial] | 3.954895867590000e+03 | -1.070000053005060e-06 | -2.609756226841610e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | 3.954895867550000e+03 | -1.110000084736384e-06 | -2.707317279844840e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 3.954895917990000e+03 | 4.932999991069664e-05 | 1.203170729529186e+00 | FAIL |
| foss-mpi-full: [foss2023a-mpi] | 3.954895867550000e+03 | -1.110000084736384e-06 | -2.707317279844840e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 3.954895868840000e+03 | 1.799999154172838e-07 | 4.390241839445946e-03 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 3.954895867550000e+03 | -1.110000084736384e-06 | -2.707317279844840e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 3.954895867550000e+03 | -1.110000084736384e-06 | -2.707317279844840e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | 3.954895867550000e+03 | -1.110000084736384e-06 | -2.707317279844840e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | 3.954895867550000e+03 | -1.110000084736384e-06 | -2.707317279844840e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | 3.954895867550000e+03 | -1.110000084736384e-06 | -2.707317279844840e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 3.954895867560000e+03 | -1.099999735743040e-06 | -2.682926184739122e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 3.954895867560000e+03 | -1.099999735743040e-06 | -2.682926184739122e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 3.954895867540000e+03 | -1.119999978982378e-06 | -2.731707265810678e-02 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | 3.954895867550000e+03 | -1.110000084736384e-06 | -2.707317279844840e-02 | PASS |