Match comparison for Forces [step 15] (match type 22547)
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.049280232292293e-02 | 2.000000000000000e-14 | -1.049280232292851e-02 | 5.605000093086872e-15 | -1.049280232293126e-02 | 8.326672684688674e-15 | PASS |
Checks for this match
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Detailed information
Reference: -0.01049280232292293, precision: 0.00000000000002| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.049280232292560e-02 | -2.668004706052329e-15 | -1.334002353026165e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.049280232292693e-02 | -4.000272335602517e-15 | -2.000136167801259e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.049280232292560e-02 | -2.668004706052329e-15 | -1.334002353026165e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.049280232292538e-02 | -2.445960101127298e-15 | -1.222980050563649e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.049280232293404e-02 | -1.110569969320352e-14 | -5.552849846601760e-01 | PASS |
| spack_foss-2022a_mpi | -1.049280232292626e-02 | -3.334138520827423e-15 | -1.667069260413712e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.049280232292626e-02 | -3.334138520827423e-15 | -1.667069260413712e-01 | PASS |
| spack_foss-2022a_serial | -1.049280232292293e-02 | -3.469446951953614e-18 | -1.734723475976807e-04 | PASS |
| spack_foss-2022a_serial_min | -1.049280232292293e-02 | -3.469446951953614e-18 | -1.734723475976807e-04 | PASS |
| spack_foss-2023a_mpi | -1.049280232292626e-02 | -3.334138520827423e-15 | -1.667069260413712e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.049280232292626e-02 | -3.334138520827423e-15 | -1.667069260413712e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.049280232293182e-02 | -8.885253643953206e-15 | -4.442626821976603e-01 | PASS |
| spack_foss-2023a_serial | -1.049280232292293e-02 | -3.469446951953614e-18 | -1.734723475976807e-04 | PASS |
| spack_foss-2023a_mpi_opt | -1.049280232292693e-02 | -4.000272335602517e-15 | -2.000136167801259e-01 | PASS |
| spack_foss-2023a_serial_min | -1.049280232292293e-02 | -3.469446951953614e-18 | -1.734723475976807e-04 | PASS |
| spack_foss-2023a_mpi_omp | -1.049280232292604e-02 | -3.112093915902392e-15 | -1.556046957951196e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.049280232292560e-02 | -2.668004706052329e-15 | -1.334002353026165e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.049280232292560e-02 | -2.668004706052329e-15 | -1.334002353026165e-01 | PASS |
| spack_foss-2023b_serial | -1.049280232292293e-02 | -3.469446951953614e-18 | -1.734723475976807e-04 | PASS |
| spack_intel-2023a_serial | -1.049280232293959e-02 | -1.665681481632930e-14 | -8.328407408164651e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.049280232293937e-02 | -1.643477021140427e-14 | -8.217385105702135e-01 | PASS |
| spack_intel-2023a_impi | -1.049280232293670e-02 | -1.377023495230389e-14 | -6.885117476151947e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.049280232293937e-02 | -1.643477021140427e-14 | -8.217385105702135e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.049280232293603e-02 | -1.310410113752880e-14 | -6.552050568764400e-01 | PASS |