Match comparison for Multipoles [step 20] (match type 30240)

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Input 14-fullerene_unpacked.02-td-unpacked.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.020306920872538e+00 1.600000000000000e-06 -2.020306843051402e+00 4.889364509506290e-07 -2.020307424921317e+00 9.464655490454277e-07 PASS

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Detailed information

Reference: -2.020306920872538, precision: 0.0000016
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -2.020307345165826e+00 -4.242932880593742e-07 -2.651833050371089e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -2.020307345165826e+00 -4.242932880593742e-07 -2.651833050371089e-01 PASS
foss_min_autotools: [foss2023a-serial] -2.020306723575932e+00 1.972966061636328e-07 1.233103788522705e-01 PASS
foss_min_autotools: [foss2023b-serial] -2.020306723575932e+00 1.972966061636328e-07 1.233103788522705e-01 PASS
foss_min_autotools: [foss2022a-serial] -2.020306723575932e+00 1.972966061636328e-07 1.233103788522705e-01 PASS
foss_opt_autotools: [foss2023a-serial] -2.020307345165826e+00 -4.242932880593742e-07 -2.651833050371089e-01 PASS
foss_autotools: [foss2023a-serial] -2.020306723575932e+00 1.972966061636328e-07 1.233103788522705e-01 PASS
foss_autotools: [foss2023b-serial] -2.020306723575932e+00 1.972966061636328e-07 1.233103788522705e-01 PASS
foss_autotools: [foss2022a-serial] -2.020306723575932e+00 1.972966061636328e-07 1.233103788522705e-01 PASS
intel_autotools: [intel2023a-serial] -2.020306588622871e+00 3.322496664459607e-07 2.076560415287254e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -2.020306685143910e+00 2.357286277288040e-07 1.473303923305025e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -2.020306496349437e+00 4.245231006727579e-07 2.653269379204737e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -2.020308371386866e+00 -1.450514328205088e-06 -9.065714551281800e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -2.020308371386866e+00 -1.450514328205088e-06 -9.065714551281800e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -2.020306525235298e+00 3.956372403024488e-07 2.472732751890305e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -2.020307038145842e+00 -1.172733039567220e-07 -7.329581497295123e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -2.020306597117199e+00 3.237553389823233e-07 2.023470868639521e-01 PASS
foss_omp_autotools: [foss2023a-serial] -2.020307331422782e+00 -4.105502435791664e-07 -2.565939022369790e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -2.020306515752805e+00 4.051197328713840e-07 2.531998330446150e-01 PASS
intel_omp_autotools: [intel2023a-serial] -2.020306834911076e+00 8.596146150452455e-08 5.372591344032784e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -2.020306478455768e+00 4.424167698857673e-07 2.765104811786046e-01 PASS
intel_omp_autotools: [intel2022a-serial] -2.020306521049204e+00 3.998233335522627e-07 2.498895834701642e-01 PASS
foss_debug_autotools: [foss2023a-serial] -2.020306723575932e+00 1.972966061636328e-07 1.233103788522705e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -2.020306502335685e+00 4.185368527309663e-07 2.615855329568539e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -2.020306494812647e+00 4.260598913674585e-07 2.662874321046615e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -2.020306517563649e+00 4.033088893962145e-07 2.520680558726340e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -2.020306507896946e+00 4.129755919457523e-07 2.581097449660952e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -2.020306732712711e+00 1.881598272746032e-07 1.175998920466270e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -2.020306517103239e+00 4.037692988845265e-07 2.523558118028291e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -2.020306563608252e+00 3.572642857108121e-07 2.232901785692576e-01 PASS