Match comparison for Hartree energy (match type 29833)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.236158373600000e+02 | 1.330000000000000e-06 | -5.236158379681357e+02 | 3.662474828777610e-07 | -5.236158381150001e+02 | 8.349999802703678e-07 | FAIL |
Checks for this match
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Detailed information
Reference: -523.61583736, precision: 0.00000133| Run | Value | Difference | Relative difference | Status |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -5.236158373300000e+02 | 3.000002379849320e-08 | 2.255640887104752e-02 | PASS |
| cmake_foss_2022a_full_serial | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2022a_ppc | -5.236158373300000e+02 | 3.000002379849320e-08 | 2.255640887104752e-02 | PASS |
| spack_foss-2023a_serial_opt | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| cmake_foss_2022a_min_serial | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| cmake_foss_2022a_min_mpi | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| cmake_foss_2022a_full_mpi | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2022a_mpi | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2022a_mpi_min | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2022a_serial | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2022a_serial_min | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2023a_serial | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2023a_mpi_min | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2023a_mpi | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2023a_serial_min | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2023a_mpi_opt | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2023a_serial_debug | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2023b_serial | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2023a_serial_omp | -5.236158381499999e+02 | -7.899999445726280e-07 | -5.939849207312993e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -5.236158381499999e+02 | -7.899999445726280e-07 | -5.939849207312993e-01 | PASS |
| spack_foss-2023a_mpi_debug | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_intel-2022a_serial_omp | -5.236158373000000e+02 | 6.000004759698641e-08 | 4.511281774209504e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_foss-2023a_mpi_omp | -5.236158381499999e+02 | -7.899999445726280e-07 | -5.939849207312993e-01 | PASS |
| spack_intel-2023a_serial | -5.236158373100000e+02 | 5.000003966415534e-08 | 3.759401478507921e-02 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -5.236158373100000e+02 | 5.000003966415534e-08 | 3.759401478507921e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -5.236158373000000e+02 | 6.000004759698641e-08 | 4.511281774209504e-02 | PASS |
| spack_intel-2023a_impi | -5.236158373100000e+02 | 5.000003966415534e-08 | 3.759401478507921e-02 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -5.236158381000000e+02 | -7.400000185953104e-07 | -5.563909914250454e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -5.236158373100000e+02 | 5.000003966415534e-08 | 3.759401478507921e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -5.236158381499999e+02 | -7.899999445726280e-07 | -5.939849207312993e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | -5.236158381400001e+02 | -7.800000503266347e-07 | -5.864662032531088e-01 | PASS |
| spack_intel-2023a_serial_omp | -5.236158381000000e+02 | -7.400000185953104e-07 | -5.563909914250454e-01 | PASS |
| spack_intel-2022a_impi_omp | -5.236158373100000e+02 | 5.000003966415534e-08 | 3.759401478507921e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -5.236158380900000e+02 | -7.300000106624793e-07 | -5.488721884680295e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -5.236158373100000e+02 | 5.000003966415534e-08 | 3.759401478507921e-02 | PASS |
| spack_foss-2023a_valgrind | -5.236158373300000e+02 | 3.000002379849320e-08 | 2.255640887104752e-02 | PASS |
| spack_foss-2022a_cuda_serial | -5.236158372800001e+02 | 7.999994977581082e-08 | 6.015033817730137e-02 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -5.236158372800001e+02 | 7.999994977581082e-08 | 6.015033817730137e-02 | PASS |
| GCI_foss_valgrind_autotools: [foss2023a-serial] | -5.236158389500000e+02 | -1.590000010764925e-06 | -1.195488729898440e+00 | FAIL |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -5.236158380900000e+02 | -7.300000106624793e-07 | -5.488721884680295e-01 | PASS |