Match comparison for Exchange energy (match type 1020)
Commits >
Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 >
Input 28-carbon_big_box.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.067869100000000e-01 | 1.000000000000000e-04 | -3.067801600000001e-01 | 5.551115123125783e-17 | -3.067801600000000e-01 | 0.000000000000000e+00 | PASS |
Checks for this match
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Detailed information
Reference: -0.30678691, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2022a_mpi | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2022a_serial | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2022a_serial_min | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2022a_mpi_min | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2023a_mpi | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2023a_serial | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2023a_serial_min | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2023b_serial | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_intel-2023a_serial | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_intel-2022a_serial_omp | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_intel-2023a_impi | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2023a_valgrind | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |