Match comparison for Total energy (match type 28831)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
-9.542175578000000e+01 | 4.360000000000000e-03 | -9.541804148592593e+01 | 7.839541863039539e-04 | -9.541994578500000e+01 | 2.087555000002794e-03 | 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: -95.42175578, precision: 0.00436Run | Value | Difference | Relative difference | Status |
spack_foss-2022a_ppc | -9.541797124999999e+01 | 3.784530000004338e-03 | 8.680114678909032e-01 | PASS |
cmake_foss_2022a_full_serial | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
cmake_foss_2022a_min_serial | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
cmake_foss_2022a_full_mpi | -9.541786844000001e+01 | 3.887339999991468e-03 | 8.915917431173092e-01 | PASS |
cmake_foss_2022a_min_mpi | -9.541786844000001e+01 | 3.887339999991468e-03 | 8.915917431173092e-01 | PASS |
spack_foss-2022a_cuda_mpi_omp | -9.542203334000000e+01 | -2.775600000006762e-04 | -6.366055045887067e-02 | PASS |
spack_foss-2022a_mpi | -9.541786844000001e+01 | 3.887339999991468e-03 | 8.915917431173092e-01 | PASS |
spack_foss-2022a_serial_min | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
spack_foss-2022a_serial | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
spack_foss-2022a_mpi_min | -9.541786844000001e+01 | 3.887339999991468e-03 | 8.915917431173092e-01 | PASS |
spack_foss-2023a_mpi_min | -9.541786844000001e+01 | 3.887339999991468e-03 | 8.915917431173092e-01 | PASS |
spack_foss-2023a_mpi | -9.541786844000001e+01 | 3.887339999991468e-03 | 8.915917431173092e-01 | PASS |
spack_foss-2022a_cuda_serial | -9.541803295000000e+01 | 3.722830000000954e-03 | 8.538600917433380e-01 | PASS |
spack_foss-2023a_serial | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
spack_foss-2023a_mpi_opt | -9.541786844000001e+01 | 3.887339999991468e-03 | 8.915917431173092e-01 | PASS |
spack_foss-2023a_serial_min | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
spack_foss-2023a_serial_opt | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
spack_foss-2023a_mpi_debug | -9.541786844000001e+01 | 3.887339999991468e-03 | 8.915917431173092e-01 | PASS |
spack_intel-2023a_impi | -9.541786260000001e+01 | 3.893179999991503e-03 | 8.929311926586015e-01 | PASS |
spack_foss-2023a_serial_debug | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
spack_foss-2023a_serial_omp | -9.541788233000000e+01 | 3.873450000000389e-03 | 8.884059633028415e-01 | PASS |
spack_foss-2023a_mpi_omp | -9.541793392000000e+01 | 3.821860000002175e-03 | 8.765733944959118e-01 | PASS |
spack_foss-2023b_serial | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
spack_intel-2023a_serial | -9.541785822999999e+01 | 3.897550000004912e-03 | 8.939334862396587e-01 | PASS |
spack_intel-2022a_serial_omp | -9.541794849000000e+01 | 3.807289999997465e-03 | 8.732316513755654e-01 | PASS |
spack_intel-2023a_serial_omp | -9.541793652000000e+01 | 3.819260000000213e-03 | 8.759770642202324e-01 | PASS |
spack_intel-2022a_impi_omp | -9.541791888000000e+01 | 3.836899999996035e-03 | 8.800229357789071e-01 | PASS |