Match comparison for Forces [step 20] (match type 17496)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
7.964959635257580e-02 | 7.040000000000000e-15 | 7.964959635257415e-02 | 1.580827840727990e-15 | 7.964959635257385e-02 | 4.440892098500626e-15 | PASS |
Checks for this match
- MPI builders have different values.
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.0796495963525758, precision: 0.00000000000000704Run | Value | Difference | Relative difference | Status |
foss_cmake: [foss2022a-serial, foss-full] | 7.964959635257385e-02 | -1.956768080901838e-15 | -2.779500114917384e-01 | PASS |
foss_autotools: [foss2022a-serial] | 7.964959635257340e-02 | -2.400857290751901e-15 | -3.410308651636223e-01 | PASS |
foss_autotools: [foss2023a-serial] | 7.964959635257340e-02 | -2.400857290751901e-15 | -3.410308651636223e-01 | PASS |
foss_opt_autotools: [foss2023a-serial] | 7.964959635257385e-02 | -1.956768080901838e-15 | -2.779500114917384e-01 | PASS |
intel_autotools: [intel2023a-serial] | 7.964959635257385e-02 | -1.956768080901838e-15 | -2.779500114917384e-01 | PASS |
foss_cmake: [foss2022a-mpi, foss-full-mpi] | 7.964959635257474e-02 | -1.068589661201713e-15 | -1.517883041479706e-01 | PASS |
foss_cmake: [foss2023a-mpi, foss-full-mpi] | 7.964959635257474e-02 | -1.068589661201713e-15 | -1.517883041479706e-01 | PASS |
foss_autotools: [foss2023b-serial] | 7.964959635257340e-02 | -2.400857290751901e-15 | -3.410308651636223e-01 | PASS |
foss_omp_autotools: [foss2023a-serial] | 7.964959635257385e-02 | -1.956768080901838e-15 | -2.779500114917384e-01 | PASS |
foss_mpi_opt_autotools: [foss2023a-mpi] | 7.964959635257474e-02 | -1.068589661201713e-15 | -1.517883041479706e-01 | PASS |
foss_mpi_autotools: [foss2022a-mpi] | 7.964959635257429e-02 | -1.512678871051776e-15 | -2.148691578198545e-01 | PASS |
foss_mpi_autotools: [foss2023a-mpi] | 7.964959635257429e-02 | -1.512678871051776e-15 | -2.148691578198545e-01 | PASS |
intel_omp_autotools: [intel2022a-serial] | 7.964959635257385e-02 | -1.956768080901838e-15 | -2.779500114917384e-01 | PASS |
intel_omp_autotools: [intel2023a-serial] | 7.964959635257385e-02 | -1.956768080901838e-15 | -2.779500114917384e-01 | PASS |
foss_ppc_autotools: [foss2022a-serial] | 7.964959635257340e-02 | -2.400857290751901e-15 | -3.410308651636223e-01 | PASS |
foss_debug_autotools: [foss2023a-serial] | 7.964959635257340e-02 | -2.400857290751901e-15 | -3.410308651636223e-01 | PASS |
foss_cuda_autotools: [foss2022a-cuda-mpi] | 7.964959635257740e-02 | 1.595945597898663e-15 | 2.266968178833327e-01 | PASS |
intel_mpi_autotools: [intel2023a-mpi] | 7.964959635257474e-02 | -1.068589661201713e-15 | -1.517883041479706e-01 | PASS |
foss_mpi_debug_autotools: [foss2023a-mpi] | 7.964959635257429e-02 | -1.512678871051776e-15 | -2.148691578198545e-01 | PASS |
foss_mpi_omp_autotools: [foss2023a-mpi] | 7.964959635257429e-02 | -1.512678871051776e-15 | -2.148691578198545e-01 | PASS |
foss_valgrind_autotools: [foss2023a-serial] | 7.964959635256941e-02 | -6.397660179402465e-15 | -9.087585482105773e-01 | PASS |
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 7.964959635257829e-02 | 2.484124017598788e-15 | 3.528585252271005e-01 | PASS |