Match comparison for Hartree energy (match type 22022)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 5.515967250000000e-01 | 1.000000000000000e-07 | 5.515966892982457e-01 | 2.554424535389937e-09 | 5.515966850000000e-01 | 5.000000025123796e-09 | 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: 0.551596725, precision: 0.0000001| Run | Value | Difference | Relative difference | Status |
| GCI_foss_ppc_autotools: [foss2022a-serial] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| cmake_foss_2022a_full_serial | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2022a_ppc | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2023a_serial_opt | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| cmake_foss_2022a_min_serial | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| cmake_foss_2022a_min_mpi | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| cmake_foss_2022a_full_mpi | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2022a_mpi | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2022a_mpi_min | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2022a_serial | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2022a_serial_min | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2023a_serial | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2023a_mpi_min | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2023a_mpi | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2023a_serial_min | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2023a_mpi_opt | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2023a_serial_debug | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2023b_serial | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2023a_serial_omp | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2023a_mpi_debug | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_intel-2022a_serial_omp | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2023a_mpi_omp | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_intel-2023a_serial | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_intel-2023a_impi | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_intel-2023a_serial_omp | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_intel-2022a_impi_omp | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 5.515966800000000e-01 | -4.500000005958071e-08 | -4.500000005958071e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | 5.515966900000000e-01 | -3.500000000933312e-08 | -3.500000000933312e-01 | PASS |
| spack_foss-2022a_cuda_serial | 5.515966800000000e-01 | -4.500000005958071e-08 | -4.500000005958071e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | 5.515966800000000e-01 | -4.500000005958071e-08 | -4.500000005958071e-01 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 5.515966800000000e-01 | -4.500000005958071e-08 | -4.500000005958071e-01 | PASS |