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 | 1.803613206407407e+01 | 9.612019196349184e-06 | 1.803612237500000e+01 | 2.379499999882739e-05 | 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: 18.03583342, precision: 0.000334| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.803613364000000e+01 | 3.002199999997401e-04 | 8.988622754483238e-01 | PASS |
| spack_foss-2022a_ppc | 1.803613388000000e+01 | 3.004600000018343e-04 | 8.995808383288452e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.803613364000000e+01 | 3.002199999997401e-04 | 8.988622754483238e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.803613395000000e+01 | 3.005300000005207e-04 | 8.997904191632355e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.803613395000000e+01 | 3.005300000005207e-04 | 8.997904191632355e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.803613431000000e+01 | 3.008900000018855e-04 | 9.008682634786991e-01 | PASS |
| spack_foss-2022a_mpi | 1.803613431000000e+01 | 3.008900000018855e-04 | 9.008682634786991e-01 | PASS |
| spack_foss-2022a_serial | 1.803613432000000e+01 | 3.008999999991602e-04 | 9.008982035902999e-01 | PASS |
| spack_foss-2022a_serial_min | 1.803613432000000e+01 | 3.008999999991602e-04 | 9.008982035902999e-01 | PASS |
| spack_foss-2023a_mpi | 1.803613431000000e+01 | 3.008900000018855e-04 | 9.008682634786991e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.803613431000000e+01 | 3.008900000018855e-04 | 9.008682634786991e-01 | PASS |
| spack_foss-2023a_serial_min | 1.803613432000000e+01 | 3.008999999991602e-04 | 9.008982035902999e-01 | PASS |
| spack_foss-2023a_serial | 1.803613432000000e+01 | 3.008999999991602e-04 | 9.008982035902999e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.803613395000000e+01 | 3.005300000005207e-04 | 8.997904191632355e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.803613431000000e+01 | 3.008900000018855e-04 | 9.008682634786991e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.803613364000000e+01 | 3.002199999997401e-04 | 8.988622754483238e-01 | PASS |
| spack_foss-2023b_serial | 1.803613432000000e+01 | 3.008999999991602e-04 | 9.008982035902999e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.803613432000000e+01 | 3.008999999991602e-04 | 9.008982035902999e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.803613391000000e+01 | 3.004900000007638e-04 | 8.996706586849215e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.803613498000000e+01 | 3.015600000004781e-04 | 9.028742514984375e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.803614617000000e+01 | 3.127499999990846e-04 | 9.363772455062414e-01 | PASS |
| spack_intel-2023a_serial | 1.803613546000000e+01 | 3.020400000011136e-04 | 9.043113772488433e-01 | PASS |
| spack_intel-2023a_impi | 1.803613403000000e+01 | 3.006100000000345e-04 | 9.000299401198637e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.803609954000000e+01 | 2.661199999991481e-04 | 7.967664670633179e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.803613498000000e+01 | 3.015600000004781e-04 | 9.028742514984375e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.803613396000000e+01 | 3.005400000013481e-04 | 8.998203592854733e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.803609858000000e+01 | 2.651600000014298e-04 | 7.938922155731432e-01 | PASS |