Match comparison for Hartree energy (match type 26101)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.244572722000000e+01 | 2.880000000000000e-06 | 4.244572640931035e+01 | 8.412713323723260e-07 | 4.244572723000000e+01 | 1.759999999961792e-06 | PASS |
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Detailed information
Reference: 42.44572722, precision: 0.00000288| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 4.244572547000000e+01 | -1.750000002687102e-06 | -6.076388898219105e-01 | PASS |
| cmake_foss_2022a_full_serial | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| foss-2022a_opt | 4.244572684000000e+01 | -3.800000030196315e-07 | -1.319444454929276e-01 | PASS |
| intel-2022a | 4.244572899000000e+01 | 1.769999997236482e-06 | 6.145833323737785e-01 | PASS |
| cmake_foss_2022a_full_mpi | 4.244572642000000e+01 | -8.000000022434506e-07 | -2.777777785567537e-01 | PASS |
| cmake_foss_2022a_min_serial | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| foss-2022a_omp | 4.244572593000000e+01 | -1.290000000153668e-06 | -4.479166667200237e-01 | PASS |
| cmake_foss_2022a_min_mpi | 4.244572594000000e+01 | -1.279999999326265e-06 | -4.444444442105085e-01 | PASS |
| eb_fosscuda-2022a | 4.244572682000000e+01 | -4.000000046744390e-07 | -1.388888905119580e-01 | PASS |
| intel-2022a_impi | 4.244572642000000e+01 | -8.000000022434506e-07 | -2.777777785567537e-01 | PASS |
| eb_foss-2022a | 4.244572684000000e+01 | -3.800000030196315e-07 | -1.319444454929276e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 4.244572665000000e+01 | -5.700000045294473e-07 | -1.979166682393914e-01 | PASS |
| eb_foss-2022a_debug | 4.244572684000000e+01 | -3.800000030196315e-07 | -1.319444454929276e-01 | PASS |
| eb_foss-2022b_libxc6 | 4.244572635000000e+01 | -8.700000009298492e-07 | -3.020833336561977e-01 | PASS |
| eb_foss-2022a_mpi | 4.244572635000000e+01 | -8.700000009298492e-07 | -3.020833336561977e-01 | PASS |
| foss-2022a_mpi_omp | 4.244572669000000e+01 | -5.300000012198325e-07 | -1.840277782013307e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 4.244572647000000e+01 | -7.500000052118594e-07 | -2.604166684763401e-01 | PASS |
| intel-2022b | 4.244572899000000e+01 | 1.769999997236482e-06 | 6.145833323737785e-01 | PASS |
| eb_foss-2022a_mpi_debug | 4.244572635000000e+01 | -8.700000009298492e-07 | -3.020833336561977e-01 | PASS |
| spack_foss-2022a_serial | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| intel-2022a_omp | 4.244572572000000e+01 | -1.500000003318291e-06 | -5.208333344855178e-01 | PASS |
| spack_foss-2022a_mpi | 4.244572642000000e+01 | -8.000000022434506e-07 | -2.777777785567537e-01 | PASS |
| spack_foss-2022a_serial_debug | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| spack_foss-2022a_serial_min | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| intel-2022b_impi | 4.244572642000000e+01 | -8.000000022434506e-07 | -2.777777785567537e-01 | PASS |
| spack_foss-2022a_serial_omp | 4.244572610000000e+01 | -1.120000000298660e-06 | -3.888888889925902e-01 | PASS |
| spack_foss-2022a_serial_opt | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| spack_foss-2022a_mpi_omp | 4.244572664000000e+01 | -5.800000053568510e-07 | -2.013888907489066e-01 | PASS |
| intel-2022a_omp_impi | 4.244572679000000e+01 | -4.300000000512227e-07 | -1.493055555733412e-01 | PASS |