Match comparison for Partial charge 40 (match type 26812)

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Input 10-vdw_d3_dna.01-gs_novdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.500000000000000e-01 4.250000000000000e-01 9.830000000000001e-01 1.110223024625157e-16 9.830000000000000e-01 0.000000000000000e+00 PASS

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Detailed information

Reference: 0.85, precision: 0.425
Run Value Difference Relative difference Status
foss_mpi_min_autotools: [foss2023a-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_min_autotools: [foss2022a-serial] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_min_autotools: [foss2023a-serial] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_min_autotools: [foss2023b-serial] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_opt_autotools: [foss2023a-serial] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_autotools: [foss2022a-serial] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_autotools: [foss2023a-serial] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
intel_autotools: [intel2023a-serial] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_autotools: [foss2023b-serial] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_omp_autotools: [foss2023a-serial] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_cmake_mpi_min: [foss2022a-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
intel_omp_autotools: [intel2022a-serial] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_debug_autotools: [foss2023a-serial] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_cmake_mpi_min: [foss2023a-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
intel_omp_autotools: [intel2023a-serial] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 9.830000000000000e-01 1.330000000000000e-01 3.129411764705883e-01 PASS