Match comparison for Total energy (match type 30492)

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184216894050000e+02 7.430000000000000e-05 -3.184216914036667e+02 1.943862006092208e-05 -3.184216690950000e+02 4.725499999835847e-05 PASS

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Detailed information

Reference: -318.421689405, precision: 0.0000743
Run Value Difference Relative difference Status
foss_min_autotools: [foss2022a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_min_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_min_autotools: [foss2023b-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_opt_autotools: [foss2023a-serial] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
foss_autotools: [foss2022a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
intel_autotools: [intel2023a-serial] -3.184217039300000e+02 -1.452499998322310e-05 -1.954912514565693e-01 PASS
foss_autotools: [foss2023b-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss_omp_autotools: [foss2023a-serial] -3.184217055100000e+02 -1.610499998605519e-05 -2.167563928136634e-01 PASS
foss_cmake_mpi_min: [foss2022a-mpi] -3.184216956800000e+02 -6.275000032474054e-06 -8.445491295389036e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184216930800000e+02 -3.675000016301055e-06 -4.946164221131972e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.184216936500000e+02 -4.245000013725075e-06 -5.713324379172376e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.184216950900000e+02 -5.685000019184372e-06 -7.651413215591348e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.184216950900000e+02 -5.685000019184372e-06 -7.651413215591348e-02 PASS
foss_debug_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_cmake_mpi_min: [foss2023a-mpi] -3.184216944100000e+02 -5.004999991342629e-06 -6.736204564391156e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.184217079600000e+02 -1.855499999692256e-05 -2.497308209545432e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.184216907200000e+02 -1.315000019985746e-06 -1.769851978446495e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184216911900000e+02 -1.784999994924874e-06 -2.402422604205752e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -3.184216944700000e+02 -5.064999982096197e-06 -6.816958253157734e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184217163500000e+02 -2.694500000188782e-05 -3.626514132151792e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184216944600000e+02 -5.055000031006784e-06 -6.803499368784366e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184216932600000e+02 -3.854999988561758e-06 -5.188425287431706e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.184216910800000e+02 -1.675000021350570e-06 -2.254374187551238e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184216956400000e+02 -6.235000000742730e-06 -8.391655451874468e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184216948400000e+02 -5.434999991393852e-06 -7.314939423141119e-02 PASS