Match comparison for electronic pol. charge (match type 25499)
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.840514180000000e+00 | 7.840000000000000e-14 | -7.840514180000000e+00 | 0.000000000000000e+00 | -7.840514180000000e+00 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -7.8405141799999996, precision: 0.0000000000000784| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| intel-serial: [intel2023a-serial] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -7.840514180000000e+00 | -8.881784197001252e-16 | -1.132880637372609e-02 | PASS |