Match comparison for LDA Total Energy (match type 21063)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.179676910000000e+00 | 1.000000000000000e-04 | -4.179651570000000e+00 | 0.000000000000000e+00 | -4.179651570000000e+00 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -4.17967691, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2022a_serial_min | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2023a_serial_min | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2023a_serial | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2022a_serial | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2022a_ppc | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2022a_mpi | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2023a_mpi | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2023b_serial | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_intel-2023a_serial | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_intel-2023a_impi | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |
| spack_foss-2023a_valgrind | -4.179651570000000e+00 | 2.534000000053993e-05 | 2.534000000053993e-01 | PASS |