Match comparison for Hartree energy (match type 30346)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.818233000000000e+01 | 9.090000000000000e-05 | 1.818234301766667e+01 | 6.299554843450151e-06 | 1.818233500500000e+01 | 1.417500000044924e-05 | 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: 18.18233, precision: 0.0000909| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | 1.818234598000000e+01 | 1.598000000058164e-05 | 1.757975797643745e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | 1.818234504000000e+01 | 1.504000000096539e-05 | 1.654565456651858e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.818234598000000e+01 | 1.598000000058164e-05 | 1.757975797643745e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | 1.818234504000000e+01 | 1.504000000096539e-05 | 1.654565456651858e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 1.818234504000000e+01 | 1.504000000096539e-05 | 1.654565456651858e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 1.818234504000000e+01 | 1.504000000096539e-05 | 1.654565456651858e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 1.818234504000000e+01 | 1.504000000096539e-05 | 1.654565456651858e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 1.818234359000000e+01 | 1.358999999823141e-05 | 1.495049504755930e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 1.818234504000000e+01 | 1.504000000096539e-05 | 1.654565456651858e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 1.818233952000000e+01 | 9.519999998985895e-06 | 1.047304730361485e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 1.818234598000000e+01 | 1.598000000058164e-05 | 1.757975797643745e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 1.818233952000000e+01 | 9.519999998985895e-06 | 1.047304730361485e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 1.818234918000000e+01 | 1.917999999889730e-05 | 2.110011000978801e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.818233952000000e+01 | 9.519999998985895e-06 | 1.047304730361485e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.818233952000000e+01 | 9.519999998985895e-06 | 1.047304730361485e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 1.818234745000000e+01 | 1.745000000141772e-05 | 1.919691969352884e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 1.818233952000000e+01 | 9.519999998985895e-06 | 1.047304730361485e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 1.818234918000000e+01 | 1.917999999889730e-05 | 2.110011000978801e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 1.818234918000000e+01 | 1.917999999889730e-05 | 2.110011000978801e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.818234291000000e+01 | 1.290999999881137e-05 | 1.420242024071658e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.818234291000000e+01 | 1.290999999881137e-05 | 1.420242024071658e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 1.818234918000000e+01 | 1.917999999889730e-05 | 2.110011000978801e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 1.818234504000000e+01 | 1.504000000096539e-05 | 1.654565456651858e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 1.818234000000000e+01 | 9.999999999621423e-06 | 1.100110010959452e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 1.818234223000000e+01 | 1.222999999939134e-05 | 1.345434543387386e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 1.818234918000000e+01 | 1.917999999889730e-05 | 2.110011000978801e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 1.818234507000000e+01 | 1.506999999989489e-05 | 1.657865786567095e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 1.818232416000000e+01 | -5.840000000034706e-06 | -6.424642464284605e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 1.818234466000000e+01 | 1.465999999794576e-05 | 1.612761275901624e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.818232083000000e+01 | -9.170000002001188e-06 | -1.008800880308161e-01 | PASS |