Match comparison for Forces [step 10] (match type 22546)
Commits >
Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.391687584811126e-03 | 2.300000000000000e-14 | -9.391687584814453e-03 | 4.490928190426975e-15 | -9.391687584813457e-03 | 1.199040866595169e-14 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -0.009391687584811126, precision: 0.000000000000023| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -9.391687584812125e-03 | -9.992007221626409e-16 | -4.344350965924525e-02 | PASS |
| spack_foss-2023a_serial_min | -9.391687584812125e-03 | -9.992007221626409e-16 | -4.344350965924525e-02 | PASS |
| spack_foss-2022a_ppc | -9.391687584801467e-03 | 9.658940314238862e-15 | 4.199539267060375e-01 | PASS |
| spack_foss-2023a_serial | -9.391687584812125e-03 | -9.992007221626409e-16 | -4.344350965924525e-02 | PASS |
| spack_foss-2022a_serial | -9.391687584812125e-03 | -9.992007221626409e-16 | -4.344350965924525e-02 | PASS |
| spack_foss-2023a_serial_opt | -9.391687584812347e-03 | -1.221245327087672e-15 | -5.309762291685531e-02 | PASS |
| spack_foss-2023b_serial | -9.391687584812125e-03 | -9.992007221626409e-16 | -4.344350965924525e-02 | PASS |
| spack_foss-2023a_mpi_min | -9.391687584813901e-03 | -2.775557561562891e-15 | -1.206764157201257e-01 | PASS |
| spack_foss-2023a_serial_omp | -9.391687584813013e-03 | -1.887379141862766e-15 | -8.205996268968549e-02 | PASS |
| spack_intel-2022a_serial_omp | -9.391687584818786e-03 | -7.660538869913580e-15 | -3.330669073875470e-01 | PASS |
| spack_foss-2023a_mpi_opt | -9.391687584813235e-03 | -2.109423746787797e-15 | -9.171407594729554e-02 | PASS |
| spack_foss-2023a_serial_debug | -9.391687584812125e-03 | -9.992007221626409e-16 | -4.344350965924525e-02 | PASS |
| spack_foss-2023a_mpi | -9.391687584813901e-03 | -2.775557561562891e-15 | -1.206764157201257e-01 | PASS |
| cmake_foss_2022a_full_mpi | -9.391687584813235e-03 | -2.109423746787797e-15 | -9.171407594729554e-02 | PASS |
| spack_foss-2023a_mpi_debug | -9.391687584813901e-03 | -2.775557561562891e-15 | -1.206764157201257e-01 | PASS |
| spack_foss-2022a_cuda_serial | -9.391687584819008e-03 | -7.882583474838611e-15 | -3.427210206451570e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -9.391687584819897e-03 | -8.770761894538737e-15 | -3.813374736755972e-01 | PASS |
| spack_foss-2023a_mpi_omp | -9.391687584814568e-03 | -3.441691376337985e-15 | -1.496387554929559e-01 | PASS |
| cmake_foss_2022a_min_serial | -9.391687584812347e-03 | -1.221245327087672e-15 | -5.309762291685531e-02 | PASS |
| cmake_foss_2022a_full_serial | -9.391687584812347e-03 | -1.221245327087672e-15 | -5.309762291685531e-02 | PASS |
| cmake_foss_2022a_min_mpi | -9.391687584812347e-03 | -1.221245327087672e-15 | -5.309762291685531e-02 | PASS |
| spack_intel-2023a_serial | -9.391687584816344e-03 | -5.218048215738236e-15 | -2.268716615538363e-01 | PASS |
| spack_foss-2022a_mpi_min | -9.391687584813901e-03 | -2.775557561562891e-15 | -1.206764157201257e-01 | PASS |
| spack_intel-2022a_impi_omp | -9.391687584825448e-03 | -1.432187701766452e-14 | -6.226903051158487e-01 | PASS |
| spack_foss-2022a_mpi | -9.391687584813901e-03 | -2.775557561562891e-15 | -1.206764157201257e-01 | PASS |
| spack_intel-2023a_serial_omp | -9.391687584818786e-03 | -7.660538869913580e-15 | -3.330669073875470e-01 | PASS |
| spack_intel-2023a_impi | -9.391687584824782e-03 | -1.365574320288943e-14 | -5.937279653430185e-01 | PASS |