Match comparison for Hartree energy (match type 30235)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.988936987400000e+03 | 1.800000000000000e-05 | 3.988936994399075e+03 | 1.161153005395219e-05 | 3.988936987785000e+03 | 1.593499996488390e-05 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 3988.9369874000004, precision: 0.000018| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 3.988936974010000e+03 | -1.339000027655857e-05 | -7.438889042532537e-01 | PASS |
| spack_foss-2022a_serial_min | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
| spack_foss-2022a_serial | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
| spack_foss-2022a_ppc | 3.988937003600000e+03 | 1.619999966351315e-05 | 8.999999813062863e-01 | PASS |
| spack_foss-2022a_mpi_min | 3.988936992630000e+03 | 5.229999715083977e-06 | 2.905555397268876e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | 3.988936998890000e+03 | 1.148999945144169e-05 | 6.383333028578717e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.988936976750000e+03 | -1.065000014932593e-05 | -5.916666749625519e-01 | PASS |
| spack_foss-2022a_mpi | 3.988937003630000e+03 | 1.622999980099848e-05 | 9.016666556110269e-01 | PASS |
| cmake_foss_2022a_min_serial | 3.988936974010000e+03 | -1.339000027655857e-05 | -7.438889042532537e-01 | PASS |
| spack_foss-2023a_mpi | 3.988936995060000e+03 | 7.659999482712010e-06 | 4.255555268173339e-01 | PASS |
| cmake_foss_2022a_min_mpi | 3.988937003670000e+03 | 1.626999983272981e-05 | 9.038888795961004e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | 3.988937003430000e+03 | 1.602999964234186e-05 | 8.905555356856590e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | 3.988936974010000e+03 | -1.339000027655857e-05 | -7.438889042532537e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | 3.988936974010000e+03 | -1.339000027655857e-05 | -7.438889042532537e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | 3.988936974010000e+03 | -1.339000027655857e-05 | -7.438889042532537e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | 3.988937002310000e+03 | 1.490999966335949e-05 | 8.283333146310825e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | 3.988936971850000e+03 | -1.555000017106067e-05 | -8.638888983922597e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | 3.988936996510000e+03 | 9.109999609790975e-06 | 5.061110894328319e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | 3.988937003560000e+03 | 1.615999963178183e-05 | 8.977777573212127e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | 3.988937003360000e+03 | 1.595999947312521e-05 | 8.866666373958448e-01 | PASS |
| spack_foss-2023a_mpi_debug | 3.988936973620000e+03 | -1.378000024487847e-05 | -7.655555691599147e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | 3.988937003600000e+03 | 1.619999966351315e-05 | 8.999999813062863e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
| spack_foss-2023a_mpi_min | 3.988936992630000e+03 | 5.229999715083977e-06 | 2.905555397268876e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
| spack_foss-2023a_serial | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | 3.988936977070000e+03 | -1.033000035022269e-05 | -5.738889083457049e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | 3.988936977070000e+03 | -1.033000035022269e-05 | -5.738889083457049e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | 3.988937003720000e+03 | 1.631999975870713e-05 | 9.066666532615070e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | 3.988937003250000e+03 | 1.584999972692458e-05 | 8.805555403846989e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | 3.988937003650000e+03 | 1.624999958949047e-05 | 9.027777549716929e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | 3.988937003670000e+03 | 1.626999983272981e-05 | 9.038888795961004e-01 | PASS |
| spack_foss-2023a_mpi_opt | 3.988936998640000e+03 | 1.123999982155510e-05 | 6.244444345308390e-01 | PASS |
| spack_foss-2023a_serial_debug | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
| spack_foss-2023a_serial_min | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
| spack_foss-2023a_serial_opt | 3.988936974010000e+03 | -1.339000027655857e-05 | -7.438889042532537e-01 | PASS |
| spack_foss-2023a_mpi_omp | 3.988937003670000e+03 | 1.626999983272981e-05 | 9.038888795961004e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | 3.988936974210000e+03 | -1.319000057264930e-05 | -7.327778095916275e-01 | PASS |
| spack_foss-2023b_serial | 3.988936999680000e+03 | 1.227999973707483e-05 | 6.822222076152684e-01 | PASS |
| spack_foss-2023a_serial_omp | 3.988936971850000e+03 | -1.555000017106067e-05 | -8.638888983922597e-01 | PASS |
| spack_intel-2023a_serial | 3.988937002310000e+03 | 1.490999966335949e-05 | 8.283333146310825e-01 | PASS |
| spack_intel-2022a_serial_omp | 3.988937003560000e+03 | 1.615999963178183e-05 | 8.977777573212127e-01 | PASS |
| spack_intel-2023a_serial_omp | 3.988936996510000e+03 | 9.109999609790975e-06 | 5.061110894328319e-01 | PASS |
| spack_intel-2023a_impi | 3.988937001710000e+03 | 1.430999964213697e-05 | 7.949999801187206e-01 | PASS |
| spack_intel-2022a_impi_omp | 3.988937002460000e+03 | 1.505999944129144e-05 | 8.366666356273021e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.988937003270000e+03 | 1.586999951541657e-05 | 8.816666397453647e-01 | PASS |
| spack_foss-2022a_cuda_serial | 3.988936998890000e+03 | 1.148999945144169e-05 | 6.383333028578717e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | 3.988937003600000e+03 | 1.619999966351315e-05 | 8.999999813062863e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 3.988937003440000e+03 | 1.603999953658786e-05 | 8.911110853659920e-01 | PASS |