Match comparison for Hartree energy (match type 30627)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.808168730000000e+00 | 2.750000000000000e-07 | 2.808168706451613e+00 | 3.268109709649654e-08 | 2.808168630000000e+00 | 9.999999983634211e-08 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 2.8081687300000002, precision: 0.000000275| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_min_autotools: [foss2023b-serial] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_autotools: [foss2022a-serial] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_autotools: [foss2023a-serial] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| intel_autotools: [intel2023a-serial] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_autotools: [foss2023b-serial] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 2.808168720000000e+00 | -1.000000038331450e-08 | -3.636363775750727e-02 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 2.808168720000000e+00 | -1.000000038331450e-08 | -3.636363775750727e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 2.808168530000000e+00 | -2.000000001167734e-07 | -7.272727276973580e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 2.808168720000000e+00 | -1.000000038331450e-08 | -3.636363775750727e-02 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 2.808168730000000e+00 | -4.440892098500626e-16 | -1.614869854000228e-09 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 2.808168730000000e+00 | -4.440892098500626e-16 | -1.614869854000228e-09 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 2.808168710000000e+00 | -2.000000032253979e-08 | -7.272727390014469e-02 | PASS |