Match comparison for Multipoles [step 20] (match type 30244)

Commits > Commit 4ba8d1ba4a84cee910627f85cb1ba733d430c04d > Input 14-fullerene_unpacked.03-td-packed.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.020306920872538e+00 1.600000000000000e-06 -2.020307023929730e+00 7.250523657359713e-07 -2.020308212134361e+00 1.718634201619551e-06 FAIL

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Detailed information

Reference: -2.020306920872538, precision: 0.0000016
Run Value Difference Relative difference Status
foss-ppc: [foss2022a-serial] -2.020306502335685e+00 4.185368527309663e-07 2.615855329568539e-01 PASS
foss-serial-full: [foss2023a-serial] -2.020306723575932e+00 1.972966061636328e-07 1.233103788522705e-01 PASS
foss-serial-min: [foss2022a-serial] -2.020306723575932e+00 1.972966061636328e-07 1.233103788522705e-01 PASS
foss-serial-full: [foss2023b-serial] -2.020306723575932e+00 1.972966061636328e-07 1.233103788522705e-01 PASS
foss-serial-debug: [foss2023a-serial] -2.020306723575932e+00 1.972966061636328e-07 1.233103788522705e-01 PASS
foss-serial-min: [foss2023a-serial] -2.020306723575932e+00 1.972966061636328e-07 1.233103788522705e-01 PASS
foss-serial-min: [foss2023b-serial] -2.020306723575932e+00 1.972966061636328e-07 1.233103788522705e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -2.020307278201782e+00 -3.573292444158938e-07 -2.233307777599336e-01 PASS
foss-opt-full: [foss2023a-serial] -2.020307345165826e+00 -4.242932880593742e-07 -2.651833050371089e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -2.020306519726092e+00 4.011464458386627e-07 2.507165286491642e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -2.020307340886209e+00 -4.200136709542335e-07 -2.625085443463959e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -2.020306656026285e+00 2.648462533727525e-07 1.655289083579703e-01 PASS
foss-omp-full: [foss2023a-serial] -2.020307331422782e+00 -4.105502435791664e-07 -2.565939022369790e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -2.020307345165826e+00 -4.242932880593742e-07 -2.651833050371089e-01 PASS
intel-serial: [intel2023a-serial] -2.020306588622871e+00 3.322496664459607e-07 2.076560415287254e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -2.020307278201782e+00 -3.573292444158938e-07 -2.233307777599336e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -2.020307345165826e+00 -4.242932880593742e-07 -2.651833050371089e-01 PASS
foss-mpi-full: [foss2023a-mpi] -2.020306522286313e+00 3.985862244704208e-07 2.491163902940130e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -2.020306744093379e+00 1.767791593110246e-07 1.104869745693904e-01 PASS
intel-omp: [intel2023a-serial] -2.020306834911076e+00 8.596146150452455e-08 5.372591344032784e-02 PASS
intel-omp: [intel2022a-serial] -2.020306521049204e+00 3.998233335522627e-07 2.498895834701642e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -2.020306551157056e+00 3.697154817849935e-07 2.310721761156209e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -2.020307366536203e+00 -4.456636646388290e-07 -2.785397903992681e-01 PASS
foss-mpi-min: [foss2022a-mpi] -2.020308371386866e+00 -1.450514328205088e-06 -9.065714551281800e-01 PASS
foss-mpi-min: [foss2023a-mpi] -2.020308371386866e+00 -1.450514328205088e-06 -9.065714551281800e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -2.020306493500160e+00 4.273723783754235e-07 2.671077364846397e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -2.020309930768563e+00 -3.009896024863679e-06 -1.881185015539799e+00 FAIL
intel_mpi_omp_autotools: [intel2022a-mpi] -2.020306643610353e+00 2.772621847668688e-07 1.732888654792930e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -2.020306505431042e+00 4.154414963153386e-07 2.596509351970866e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -2.020306505431042e+00 4.154414963153386e-07 2.596509351970866e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -2.020306507896946e+00 4.129755919457523e-07 2.581097449660952e-01 PASS