Match comparison for Exchange energy (match type 12968)
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Input 03-sodium_chain.03-ground_state_disp.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.359242440000000e+00 | 1.180000000000000e-07 | -2.359242433076924e+00 | 4.615384587334782e-09 | -2.359242435000000e+00 | 4.999999969612645e-09 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -2.35924244, precision: 0.000000118| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2023a_serial_min | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2023a_serial_opt | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2022a_serial | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2023a_serial | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2023b_serial | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2022a_ppc | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2022a_cuda_serial | -2.359242440000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2023a_mpi_min | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2023a_serial_omp | -2.359242440000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2023a_serial_debug | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2022a_mpi | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2023a_mpi | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2023a_mpi_debug | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.359242440000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | -2.359242440000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| cmake_foss_2022a_full_serial | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| cmake_foss_2022a_min_mpi | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| cmake_foss_2022a_full_mpi | -2.359242430000000e+00 | 9.999999939225290e-09 | 8.474576219682449e-02 | PASS |
| spack_intel-2023a_serial | -2.359242440000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | -2.359242440000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | -2.359242440000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_impi | -2.359242440000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |