Match comparison for Forces [step 10] (match type 22546)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
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 | -9.391687584813317e-03 | 4.442186464831173e-15 | -9.391687584812791e-03 | 1.154631945610163e-14 | PASS |
Checks for this match
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Detailed information
Reference: -0.009391687584811126, precision: 0.000000000000023| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -9.391687584810127e-03 | 9.992007221626409e-16 | 4.344350965924525e-02 | PASS |
| spack_foss-2023a_serial_opt | -9.391687584811681e-03 | -5.551115123125783e-16 | -2.413528314402514e-02 | PASS |
| spack_foss-2023a_serial | -9.391687584810127e-03 | 9.992007221626409e-16 | 4.344350965924525e-02 | PASS |
| spack_foss-2023a_serial_min | -9.391687584810127e-03 | 9.992007221626409e-16 | 4.344350965924525e-02 | PASS |
| spack_foss-2023b_serial | -9.391687584810127e-03 | 9.992007221626409e-16 | 4.344350965924525e-02 | PASS |
| spack_foss-2022a_serial | -9.391687584810127e-03 | 9.992007221626409e-16 | 4.344350965924525e-02 | PASS |
| spack_foss-2022a_mpi_min | -9.391687584813013e-03 | -1.887379141862766e-15 | -8.205996268968549e-02 | PASS |
| spack_foss-2022a_ppc | -9.391687584801245e-03 | 9.880984919163893e-15 | 4.296080399636475e-01 | PASS |
| spack_foss-2023a_mpi_min | -9.391687584813013e-03 | -1.887379141862766e-15 | -8.205996268968549e-02 | PASS |
| spack_foss-2023a_serial_omp | -9.391687584811681e-03 | -5.551115123125783e-16 | -2.413528314402514e-02 | PASS |
| spack_foss-2022a_mpi | -9.391687584813013e-03 | -1.887379141862766e-15 | -8.205996268968549e-02 | PASS |
| spack_foss-2023a_mpi | -9.391687584813013e-03 | -1.887379141862766e-15 | -8.205996268968549e-02 | PASS |
| spack_foss-2023a_serial_debug | -9.391687584810127e-03 | 9.992007221626409e-16 | 4.344350965924525e-02 | PASS |
| spack_foss-2023a_mpi_debug | -9.391687584813013e-03 | -1.887379141862766e-15 | -8.205996268968549e-02 | PASS |
| spack_foss-2023a_mpi_omp | -9.391687584815456e-03 | -4.329869796038111e-15 | -1.882552085233961e-01 | PASS |
| cmake_foss_2022a_full_serial | -9.391687584811681e-03 | -5.551115123125783e-16 | -2.413528314402514e-02 | PASS |
| cmake_foss_2022a_min_serial | -9.391687584811681e-03 | -5.551115123125783e-16 | -2.413528314402514e-02 | PASS |
| cmake_foss_2022a_min_mpi | -9.391687584811237e-03 | -1.110223024625157e-16 | -4.827056628805029e-03 | PASS |
| cmake_foss_2022a_full_mpi | -9.391687584813235e-03 | -2.109423746787797e-15 | -9.171407594729554e-02 | PASS |
| spack_intel-2023a_serial | -9.391687584815012e-03 | -3.885780586188048e-15 | -1.689469820081760e-01 | PASS |
| spack_intel-2022a_impi_omp | -9.391687584824338e-03 | -1.321165399303936e-14 | -5.744197388277984e-01 | PASS |
| spack_intel-2022a_serial_omp | -9.391687584815456e-03 | -4.329869796038111e-15 | -1.882552085233961e-01 | PASS |
| spack_intel-2023a_serial_omp | -9.391687584815456e-03 | -4.329869796038111e-15 | -1.882552085233961e-01 | PASS |
| spack_intel-2023a_impi | -9.391687584822561e-03 | -1.143529715363911e-14 | -4.971868327669179e-01 | PASS |
| spack_foss-2023a_mpi_opt | -9.391687584813235e-03 | -2.109423746787797e-15 | -9.171407594729554e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -9.391687584820341e-03 | -9.214851104388799e-15 | -4.006457001908174e-01 | PASS |
| spack_foss-2022a_cuda_serial | -9.391687584819453e-03 | -8.326672684688674e-15 | -3.620292471603772e-01 | PASS |