Match comparison for Total energy (match type 28367)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.228807026000000e+02 | 1.800000000000000e-06 | -2.228807021932143e+02 | 1.132175696301391e-06 | -2.228807027900000e+02 | 1.430000011737320e-06 | 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: -222.8807026, precision: 0.0000018| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| spack_foss-2022a_serial | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| spack_foss-2023a_serial | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| spack_foss-2022a_ppc | -2.228807026000000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | -2.228807042200000e+02 | -1.620000006141709e-06 | -9.000000034120603e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| spack_foss-2022a_mpi | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| spack_foss-2023a_mpi | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.228807042200000e+02 | -1.620000006141709e-06 | -9.000000034120603e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.228807013600000e+02 | 1.240000017332932e-06 | 6.888888985182955e-01 | PASS |
| spack_foss-2023a_serial_min | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| spack_foss-2023b_serial | -2.228807014600000e+02 | 1.139999994848040e-06 | 6.333333304711333e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.228807013600000e+02 | 1.240000017332932e-06 | 6.888888985182955e-01 | PASS |
| spack_intel-2023a_serial | -2.228807037900000e+02 | -1.190000006090486e-06 | -6.611111144947144e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.228807041600000e+02 | -1.559999986966432e-06 | -8.666666594257953e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.228807041400000e+02 | -1.539999999522479e-06 | -8.555555552902661e-01 | PASS |
| spack_intel-2023a_impi | -2.228807037900000e+02 | -1.190000006090486e-06 | -6.611111144947144e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.228807041600000e+02 | -1.559999986966432e-06 | -8.666666594257953e-01 | PASS |
| spack_foss-2023a_valgrind | -2.228807027900000e+02 | -1.899999801935337e-07 | -1.055555445519632e-01 | PASS |