Match comparison for Total energy (match type 3411)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.575421500000000e-01 | 3.000000000000000e-05 | -4.575333066666667e-01 | 7.738791177565043e-07 | -4.575321400000000e-01 | 1.400000000012502e-06 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.45754215, precision: 0.00003| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.575307400000000e-01 | 1.140999999998948e-05 | 3.803333333329828e-01 | PASS |
| spack_foss-2022a_mpi | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_foss-2022a_serial | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_foss-2022a_serial_min | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_foss-2023a_mpi | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.575307400000000e-01 | 1.140999999998948e-05 | 3.803333333329828e-01 | PASS |
| spack_foss-2023a_serial | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_foss-2023a_serial_min | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_foss-2023b_serial | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_intel-2023a_serial | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_intel-2023a_impi | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.575335400000000e-01 | 8.609999999964479e-06 | 2.869999999988160e-01 | PASS |