Match comparison for Exchange energy (match type 21032)
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
Input 08-loewdin.03-intersite_domains.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.044434680000000e+00 | 1.020000000000000e-07 | -2.044434680000000e+00 | 0.000000000000000e+00 | -2.044434680000000e+00 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -2.0444346799999997, precision: 0.000000102| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| cmake_foss_2022a_full_mpi | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| cmake_foss_2022a_full_serial | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| cmake_foss_2022a_min_serial | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| cmake_foss_2022a_min_mpi | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2022a_cuda_serial | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2022a_serial | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2022a_serial_min | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2022a_mpi_min | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2022a_mpi | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2023a_mpi_min | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2023a_mpi | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2023a_serial | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2023a_serial_min | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2023a_mpi_opt | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2023a_serial_opt | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2023a_serial_debug | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2023b_serial | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2023a_serial_omp | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2023a_mpi_omp | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_intel-2023a_serial | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_intel-2022a_serial_omp | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_intel-2023a_impi | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_intel-2023a_serial_omp | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_intel-2022a_impi_omp | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |
| spack_foss-2023a_mpi_debug | -2.044434680000000e+00 | -4.440892098500626e-16 | -4.353815782843751e-09 | PASS |