Match comparison for Exchange energy (match type 29834)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.749451067600000e+02 | 1.430000000000000e-07 | -1.749451068003846e+02 | 4.071295174287440e-08 | -1.749451067700000e+02 | 9.000000034120603e-08 | PASS |
Checks for this match
- OpenMP builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -174.94510676, precision: 0.000000143| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_mpi_debug | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.749451066800000e+02 | 7.999997819752025e-08 | 5.594404069756661e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| spack_intel-2023a_serial | -1.749451067800000e+02 | -2.000001586566214e-08 | -1.398602508088261e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.749451067700000e+02 | -1.000000793283107e-08 | -6.993012540441307e-02 | PASS |
| spack_intel-2022a_serial_omp | -1.749451067700000e+02 | -1.000000793283107e-08 | -6.993012540441307e-02 | PASS |
| spack_intel-2023a_serial_omp | -1.749451067700000e+02 | -1.000000793283107e-08 | -6.993012540441307e-02 | PASS |
| spack_intel-2023a_impi | -1.749451067800000e+02 | -2.000001586566214e-08 | -1.398602508088261e-01 | PASS |
| spack_foss-2023a_valgrind | -1.749451068600000e+02 | -1.000000224848918e-07 | -6.993008565377050e-01 | PASS |
| spack_foss-2022a_serial_min | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| spack_foss-2023a_serial_min | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| spack_foss-2022a_serial | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| spack_foss-2023a_serial | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| spack_foss-2023b_serial | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| spack_foss-2022a_ppc | -1.749451067800000e+02 | -2.000001586566214e-08 | -1.398602508088261e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.749451066800000e+02 | 7.999997819752025e-08 | 5.594404069756661e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| spack_foss-2022a_mpi | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |
| spack_foss-2023a_mpi | -1.749451068200000e+02 | -6.000001917527698e-08 | -4.195805536732656e-01 | PASS |