Match comparison for Partial charge 35 (match type 26811)

Commits > Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 > Input 10-vdw_d3_dna.01-gs_novdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.971000000000000e+00 2.990000000000000e-02 5.973000000000001e+00 8.881784197001252e-16 5.973000000000000e+00 0.000000000000000e+00 PASS

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Detailed information

Reference: 5.971, precision: 0.0299
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss-serial-min: [foss2022a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_autotools: [foss2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_autotools: [foss2022a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss-serial-min: [foss2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss-serial-min: [foss2023b-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_autotools: [foss2023b-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss-serial-debug: [foss2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
intel_omp_autotools: [intel2022a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
intel_omp_autotools: [intel2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss-opt-full: [foss2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_ppc_autotools: [foss2022a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss-omp-full: [foss2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss-mpi-min: [foss2022a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss-mpi-min: [foss2023a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
intel_autotools: [intel2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS