Match comparison for Hartree energy (match type 30379)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
2.266259827000000e+01 | 3.630000000000000e-07 | 2.266259820172414e+01 | 1.426369629555046e-07 | 2.266259834500000e+01 | 2.549999997825125e-07 | PASS |
Checks for this match
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Detailed information
Reference: 22.66259827, precision: 0.000000363Run | Value | Difference | Relative difference | Status |
foss_cmake: [foss2022a-serial, foss-min] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_min_autotools: [foss2023a-serial] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_cmake: [foss2022a-serial, foss-full] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_min_autotools: [foss2023b-serial] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_min_autotools: [foss2022a-serial] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_autotools: [foss2022a-serial] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_opt_autotools: [foss2023a-serial] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_cmake_mpi_min: [foss2023a-mpi] | 2.266259829000000e+01 | 1.999999810209374e-08 | 5.509641350439047e-02 | PASS |
foss_cmake_mpi_min: [foss2022a-mpi] | 2.266259829000000e+01 | 1.999999810209374e-08 | 5.509641350439047e-02 | PASS |
foss_autotools: [foss2023b-serial] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
intel_autotools: [intel2023a-serial] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_autotools: [foss2023a-serial] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_mpi_min_autotools: [foss2023a-mpi] | 2.266259828000000e+01 | 1.000000082740371e-08 | 2.754821164574025e-02 | PASS |
foss_omp_autotools: [foss2023a-serial] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_mpi_min_autotools: [foss2022a-mpi] | 2.266259828000000e+01 | 1.000000082740371e-08 | 2.754821164574025e-02 | PASS |
foss_cmake: [foss2022a-mpi, foss-full-mpi] | 2.266259831000000e+01 | 3.999999975690116e-08 | 1.101928367958710e-01 | PASS |
foss_mpi_opt_autotools: [foss2023a-mpi] | 2.266259831000000e+01 | 3.999999975690116e-08 | 1.101928367958710e-01 | PASS |
foss_cmake: [foss2023a-mpi, foss-full-mpi] | 2.266259831000000e+01 | 3.999999975690116e-08 | 1.101928367958710e-01 | PASS |
intel_omp_autotools: [intel2023a-serial] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_mpi_autotools: [foss2023a-mpi] | 2.266259829000000e+01 | 1.999999810209374e-08 | 5.509641350439047e-02 | PASS |
foss_mpi_autotools: [foss2022a-mpi] | 2.266259829000000e+01 | 1.999999810209374e-08 | 5.509641350439047e-02 | PASS |
intel_omp_autotools: [intel2022a-serial] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_debug_autotools: [foss2023a-serial] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_ppc_autotools: [foss2022a-serial] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
intel_mpi_autotools: [intel2023a-mpi] | 2.266259830000000e+01 | 2.999999892949745e-08 | 8.264462515013071e-02 | PASS |
foss_mpi_debug_autotools: [foss2023a-mpi] | 2.266259829000000e+01 | 1.999999810209374e-08 | 5.509641350439047e-02 | PASS |
foss_cuda_autotools: [foss2022a-cuda-mpi] | 2.266259809000000e+01 | -1.800000006824121e-07 | -4.958677704749643e-01 | PASS |
foss_mpi_omp_autotools: [foss2023a-mpi] | 2.266259857000000e+01 | 2.999999999531155e-07 | 8.264462808625772e-01 | PASS |
intel_mpi_omp_autotools: [intel2022a-mpi] | 2.266259860000000e+01 | 3.299999988826130e-07 | 9.090909060127079e-01 | PASS |