Match comparison for Hartree energy (match type 29667)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
1.636231627000000e+01 | 2.630000000000000e-04 | 1.636250121833333e+01 | 1.775884495318198e-06 | 1.636250543000000e+01 | 6.190000000572127e-06 | 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: 16.36231627, precision: 0.000263Run | Value | Difference | Relative difference | Status |
spack_foss-2023a_serial_min | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
spack_foss-2023a_serial_opt | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
spack_foss-2022a_serial | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
spack_foss-2022a_serial_min | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
spack_foss-2022a_ppc | 1.636249981000000e+01 | 1.835399999983167e-04 | 6.978707224270597e-01 | PASS |
spack_foss-2023a_serial | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
spack_foss-2023b_serial | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
spack_foss-2022a_mpi_min | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
spack_foss-2023a_mpi_min | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
spack_foss-2023a_serial_omp | 1.636250268000000e+01 | 1.864099999977498e-04 | 7.087832699534212e-01 | PASS |
spack_foss-2023a_mpi_opt | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
spack_foss-2022a_mpi | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
spack_foss-2023a_mpi | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
spack_foss-2023a_serial_debug | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
GCI_foss-cmake: [foss2022a-serial, foss-min] | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
GCI_foss_opt_autotools: [foss2023a-serial] | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
GCI_foss-cmake: [foss2022a-serial, foss-full] | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
spack_foss-2023a_mpi_debug | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
GCI_intel_autotools: [intel2023a-serial] | 1.636250055000000e+01 | 1.842799999991485e-04 | 7.006844106431500e-01 | PASS |
GCI_intel_omp_autotools: [intel2023a-serial] | 1.636250134000000e+01 | 1.850700000005645e-04 | 7.036882129299030e-01 | PASS |
GCI_intel_omp_autotools: [intel2022a-serial] | 1.636250276000000e+01 | 1.864900000008163e-04 | 7.090874524745866e-01 | PASS |
GCI_foss_omp_autotools: [foss2023a-serial] | 1.636250268000000e+01 | 1.864099999977498e-04 | 7.087832699534212e-01 | PASS |
GCI_foss_ppc_autotools: [foss2022a-serial] | 1.636249981000000e+01 | 1.835399999983167e-04 | 6.978707224270597e-01 | PASS |
GCI_foss_min_autotools: [foss2022a-serial] | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
GCI_foss_min_autotools: [foss2023a-serial] | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
GCI_foss_min_autotools: [foss2023b-serial] | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
GCI_foss_autotools: [foss2022a-serial] | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
GCI_foss_autotools: [foss2023b-serial] | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
GCI_foss_autotools: [foss2023a-serial] | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
GCI_foss_debug_autotools: [foss2023a-serial] | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
spack_foss-2023a_mpi_omp | 1.636249924000000e+01 | 1.829699999973400e-04 | 6.957034220431179e-01 | PASS |
GCI_foss_mpi_autotools: [foss2022a-mpi] | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
GCI_foss_mpi_autotools: [foss2023a-mpi] | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | 1.636249924000000e+01 | 1.829699999973400e-04 | 6.957034220431179e-01 | PASS |
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
cmake_foss_2022a_full_serial | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
cmake_foss_2022a_min_serial | 1.636250095000000e+01 | 1.846800000002702e-04 | 7.022053231949437e-01 | PASS |
cmake_foss_2022a_min_mpi | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
cmake_foss_2022a_full_mpi | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
spack_intel-2022a_impi_omp | 1.636250347000000e+01 | 1.871999999991658e-04 | 7.117870722401742e-01 | PASS |
spack_intel-2023a_serial | 1.636250055000000e+01 | 1.842799999991485e-04 | 7.006844106431500e-01 | PASS |
spack_intel-2022a_serial_omp | 1.636250276000000e+01 | 1.864900000008163e-04 | 7.090874524745866e-01 | PASS |
spack_intel-2023a_serial_omp | 1.636250134000000e+01 | 1.850700000005645e-04 | 7.036882129299030e-01 | PASS |
spack_intel-2023a_impi | 1.636250055000000e+01 | 1.842799999991485e-04 | 7.006844106431500e-01 | PASS |
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.636250422000000e+01 | 1.879500000008250e-04 | 7.146387832730987e-01 | PASS |
spack_foss-2022a_cuda_mpi_omp | 1.636251162000000e+01 | 1.953499999984842e-04 | 7.427756653934762e-01 | PASS |
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
GCI_foss_mpi_min_autotools: [foss2022a-mpi] | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
GCI_foss_mpi_min_autotools: [foss2023a-mpi] | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |
spack_foss-2022a_cuda_serial | 1.636250422000000e+01 | 1.879500000008250e-04 | 7.146387832730987e-01 | PASS |
GCI_intel_mpi_autotools: [intel2023a-mpi] | 1.636250055000000e+01 | 1.842799999991485e-04 | 7.006844106431500e-01 | PASS |
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | 1.636250347000000e+01 | 1.871999999991658e-04 | 7.117870722401742e-01 | PASS |
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | 1.636250043000000e+01 | 1.841599999998778e-04 | 7.002281368816645e-01 | PASS |