Match comparison for Hartree energy (match type 28579)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.803583342000000e+01 | 3.340000000000000e-04 | 1.803609795346154e+01 | 1.197275735205129e-04 | 1.803583341500000e+01 | 3.039850000003952e-04 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 18.03583342, precision: 0.000334| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.803613419000000e+01 | 3.007699999990621e-04 | 9.005089820331200e-01 | PASS |
| foss-2022a_ppc | 1.803613370000000e+01 | 3.002800000011518e-04 | 8.990419161711134e-01 | PASS |
| spack_foss-2022a_serial_min | 1.803613440000000e+01 | 3.009800000022267e-04 | 9.011377245575650e-01 | PASS |
| spack_foss-2022a_serial | 1.803613440000000e+01 | 3.009800000022267e-04 | 9.011377245575650e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.803613740000000e+01 | 3.039800000017578e-04 | 9.101197604843050e-01 | PASS |
| foss-2022a_opt | 1.803613555000000e+01 | 3.021300000014548e-04 | 9.045808383277092e-01 | PASS |
| intel-2022b | 1.803613496000000e+01 | 3.015399999988233e-04 | 9.028143712539620e-01 | PASS |
| intel-2022a | 1.803613496000000e+01 | 3.015399999988233e-04 | 9.028143712539620e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.803613740000000e+01 | 3.039800000017578e-04 | 9.101197604843050e-01 | PASS |
| spack_foss-2022a_serial_omp | 1.803552943000000e+01 | -3.039899999990325e-04 | -9.101497005959058e-01 | PASS |
| spack_foss-2022a_serial_debug | 1.803613440000000e+01 | 3.009800000022267e-04 | 9.011377245575650e-01 | PASS |
| foss-2022a_omp | 1.803613334000000e+01 | 2.999199999997870e-04 | 8.979640718556499e-01 | PASS |
| eb_fosscuda-2022a | 1.803609826000000e+01 | 2.648399999998219e-04 | 7.929341317359937e-01 | PASS |
| intel-2022a_omp | 1.803613405000000e+01 | 3.006300000016893e-04 | 9.000898203643392e-01 | PASS |
| intel-2022b_impi | 1.803613640000000e+01 | 3.029800000007299e-04 | 9.071257485051794e-01 | PASS |
| intel-2022a_impi | 1.803613640000000e+01 | 3.029800000007299e-04 | 9.071257485051794e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 1.803610037000000e+01 | 2.669500000003211e-04 | 7.992514970069494e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.803613419000000e+01 | 3.007699999990621e-04 | 9.005089820331200e-01 | PASS |
| foss-2022a_mpi_omp | 1.803613406000000e+01 | 3.006399999989640e-04 | 9.001197604759400e-01 | PASS |
| eb_foss-2022b_libxc6 | 1.803613414000000e+01 | 3.007200000020305e-04 | 9.003592814432051e-01 | PASS |
| eb_foss-2022a | 1.803599520000000e+01 | 1.617799999991121e-04 | 4.843712574823715e-01 | PASS |
| eb_foss-2022a_debug | 1.803599520000000e+01 | 1.617799999991121e-04 | 4.843712574823715e-01 | PASS |
| intel-2022a_omp_impi | 1.803613322000000e+01 | 2.998000000005163e-04 | 8.976047904207076e-01 | PASS |
| eb_foss-2022a_mpi | 1.803613352000000e+01 | 3.001000000004694e-04 | 8.985029940133816e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.803613413000000e+01 | 3.007100000012031e-04 | 9.003293413209673e-01 | PASS |
| eb_foss-2022a_mpi_debug | 1.803613352000000e+01 | 3.001000000004694e-04 | 8.985029940133816e-01 | PASS |