Match comparison for Hartree energy (match type 26819)

Commits > Commit 370adda2f0c97e5430265c4ac8d8eb630d5276fb > Input 10-vdw_d3_dna.01-gs_novdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.356150093300000e+02 1.680000000000000e-07 3.356150093300000e+02 0.000000000000000e+00 3.356150093300000e+02 0.000000000000000e+00 PASS
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Detailed information

Reference: 335.61500932999996, precision: 0.000000168
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_cmake: [foss2022a-serial, foss-min] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss-serial-min: [foss2023a-serial] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss-serial-min: [foss2022a-serial] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss-serial-min: [foss2023b-serial] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss-opt-full: [foss2023a-serial] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_autotools: [foss2022a-serial] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_autotools: [foss2023b-serial] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
intel_autotools: [intel2023a-serial] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_autotools: [foss2023a-serial] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss-serial-debug: [foss2023a-serial] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
intel_omp_autotools: [intel2022a-serial] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss-omp-full: [foss2023a-serial] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
intel_omp_autotools: [intel2023a-serial] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_ppc_autotools: [foss2022a-serial] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss-mpi-min: [foss2023a-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss-mpi-min: [foss2022a-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.356150093300000e+02 5.684341886080801e-14 3.383536836952858e-07 PASS