Match comparison for Hartree energy (match type 30069)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.954895867480000e+03 | 3.710000000000000e-05 | 3.954895867570370e+03 | 6.039876430565766e-08 | 3.954895867525000e+03 | 1.749999682942871e-07 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 3954.89586748, precision: 0.0000371| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 3.954895867550000e+03 | 6.999971446930431e-08 | 1.886784756585022e-03 | PASS |
| spack_foss-2022a_ppc | 3.954895867540000e+03 | 5.999982022331096e-08 | 1.617245828121589e-03 | PASS |
| cmake_foss_2022a_min_serial | 3.954895867550000e+03 | 6.999971446930431e-08 | 1.886784756585022e-03 | PASS |
| cmake_foss_2022a_min_mpi | 3.954895867700000e+03 | 2.199999471486080e-07 | 5.929917712900486e-03 | PASS |
| cmake_foss_2022a_full_mpi | 3.954895867530000e+03 | 4.999992597731762e-08 | 1.347706899658157e-03 | PASS |
| spack_foss-2022a_mpi_min | 3.954895867540000e+03 | 5.999982022331096e-08 | 1.617245828121589e-03 | PASS |
| spack_foss-2022a_mpi | 3.954895867550000e+03 | 6.999971446930431e-08 | 1.886784756585022e-03 | PASS |
| spack_foss-2022a_serial | 3.954895867620000e+03 | 1.399998836859595e-07 | 3.773581770511038e-03 | PASS |
| spack_foss-2022a_serial_min | 3.954895867620000e+03 | 1.399998836859595e-07 | 3.773581770511038e-03 | PASS |
| spack_foss-2023a_mpi | 3.954895867550000e+03 | 6.999971446930431e-08 | 1.886784756585022e-03 | PASS |
| spack_foss-2023a_mpi_min | 3.954895867540000e+03 | 5.999982022331096e-08 | 1.617245828121589e-03 | PASS |
| spack_foss-2023a_serial_min | 3.954895867620000e+03 | 1.399998836859595e-07 | 3.773581770511038e-03 | PASS |
| spack_foss-2023a_serial | 3.954895867620000e+03 | 1.399998836859595e-07 | 3.773581770511038e-03 | PASS |
| spack_foss-2023a_mpi_opt | 3.954895867630000e+03 | 1.499997779319528e-07 | 4.043120698974470e-03 | PASS |
| spack_foss-2023a_mpi_debug | 3.954895867640000e+03 | 1.599996721779462e-07 | 4.312659627437903e-03 | PASS |
| spack_foss-2023a_serial_opt | 3.954895867550000e+03 | 6.999971446930431e-08 | 1.886784756585022e-03 | PASS |
| spack_foss-2023b_serial | 3.954895867620000e+03 | 1.399998836859595e-07 | 3.773581770511038e-03 | PASS |
| spack_foss-2023a_serial_debug | 3.954895867620000e+03 | 1.399998836859595e-07 | 3.773581770511038e-03 | PASS |
| spack_foss-2023a_serial_omp | 3.954895867550000e+03 | 6.999971446930431e-08 | 1.886784756585022e-03 | PASS |
| spack_intel-2022a_serial_omp | 3.954895867350000e+03 | -1.299999894399662e-07 | -3.504042842047605e-03 | PASS |
| spack_foss-2023a_mpi_omp | 3.954895867550000e+03 | 6.999971446930431e-08 | 1.886784756585022e-03 | PASS |
| spack_intel-2023a_serial | 3.954895867590000e+03 | 1.099997462006286e-07 | 2.964952727779746e-03 | PASS |
| spack_intel-2023a_impi | 3.954895867540000e+03 | 5.999982022331096e-08 | 1.617245828121589e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.954895867550000e+03 | 6.999971446930431e-08 | 1.886784756585022e-03 | PASS |
| spack_intel-2023a_serial_omp | 3.954895867580000e+03 | 9.999985195463523e-08 | 2.695413799316313e-03 | PASS |
| spack_intel-2022a_impi_omp | 3.954895867550000e+03 | 6.999971446930431e-08 | 1.886784756585022e-03 | PASS |
| spack_foss-2022a_cuda_serial | 3.954895867550000e+03 | 6.999971446930431e-08 | 1.886784756585022e-03 | PASS |