Match comparison for Hartree energy (match type 29766)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.803583342000000e+01 | 3.340000000000000e-04 | 1.803611098888889e+01 | 1.095333107571052e-04 | 1.803584555000000e+01 | 2.918499999999824e-04 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 18.03583342, precision: 0.000334| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 1.803613417000000e+01 | 3.007500000009600e-04 | 9.004491017992814e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.803613740000000e+01 | 3.039800000017578e-04 | 9.101197604843050e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.803613419000000e+01 | 3.007699999990621e-04 | 9.005089820331200e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.803613419000000e+01 | 3.007699999990621e-04 | 9.005089820331200e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.803613740000000e+01 | 3.039800000017578e-04 | 9.101197604843050e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.803555370000000e+01 | -2.797199999982070e-04 | -8.374850299347514e-01 | PASS |
| spack_foss-2022a_serial | 1.803613440000000e+01 | 3.009800000022267e-04 | 9.011377245575650e-01 | PASS |
| spack_foss-2022a_serial_min | 1.803613440000000e+01 | 3.009800000022267e-04 | 9.011377245575650e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.803613375000000e+01 | 3.003300000017362e-04 | 8.991916167716651e-01 | PASS |
| spack_foss-2022a_mpi | 1.803613375000000e+01 | 3.003300000017362e-04 | 8.991916167716651e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.803609792000000e+01 | 2.645000000001119e-04 | 7.919161676650056e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.803613375000000e+01 | 3.003300000017362e-04 | 8.991916167716651e-01 | PASS |
| spack_foss-2023a_mpi | 1.803613375000000e+01 | 3.003300000017362e-04 | 8.991916167716651e-01 | PASS |
| spack_foss-2023a_serial | 1.803613440000000e+01 | 3.009800000022267e-04 | 9.011377245575650e-01 | PASS |
| spack_foss-2023a_serial_min | 1.803613440000000e+01 | 3.009800000022267e-04 | 9.011377245575650e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.803613740000000e+01 | 3.039800000017578e-04 | 9.101197604843050e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.803613419000000e+01 | 3.007699999990621e-04 | 9.005089820331200e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.803613440000000e+01 | 3.009800000022267e-04 | 9.011377245575650e-01 | PASS |
| spack_foss-2023b_serial | 1.803613440000000e+01 | 3.009800000022267e-04 | 9.011377245575650e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.803613353000000e+01 | 3.001100000012968e-04 | 8.985329341356193e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.803613411000000e+01 | 3.006899999995483e-04 | 9.002694610764919e-01 | PASS |
| spack_intel-2023a_serial | 1.803613440000000e+01 | 3.009800000022267e-04 | 9.011377245575650e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.803612551000000e+01 | 2.920900000020765e-04 | 8.745209580900495e-01 | PASS |
| spack_intel-2023a_impi | 1.803613412000000e+01 | 3.007000000003757e-04 | 9.002994011987295e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.803612551000000e+01 | 2.920900000020765e-04 | 8.745209580900495e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.803613381000000e+01 | 3.003899999995951e-04 | 8.993712574838179e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.803613375000000e+01 | 3.003300000017362e-04 | 8.991916167716651e-01 | PASS |