Match comparison for Total energy (match type 30492)

Commits > Commit c335ce26b11dabfe3619506d15cfc1285f92daaf > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184216894050000e+02 7.430000000000000e-05 -3.184216880178788e+02 2.389442242311660e-05 -3.184216519800000e+02 5.353000000241082e-05 FAIL

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Detailed information

Reference: -318.421689405, precision: 0.0000743
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.184216924400000e+02 -3.035000020190637e-06 -4.084791413446348e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.184216924400000e+02 -3.035000020190637e-06 -4.084791413446348e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.184216941700000e+02 -4.765000028328359e-06 -6.413189809324843e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.184216933400000e+02 -3.934999995180988e-06 -5.296096897955569e-02 PASS
foss-serial-min: [foss2022a-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
foss-serial-min: [foss2023a-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-serial-min: [foss2023b-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss-serial-full: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss-opt-full: [foss2023a-serial] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
foss-serial-full: [foss2023b-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
intel_autotools: [intel2023a-serial] -3.184217039300000e+02 -1.452499998322310e-05 -1.954912514565693e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.184215984500000e+02 9.095500001876644e-05 1.224158815864959e+00 FAIL
foss-serial-debug: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184216956400000e+02 -6.235000000742730e-06 -8.391655451874468e-02 PASS
intel_omp_autotools: [intel2023a-serial] -3.184216907200000e+02 -1.315000019985746e-06 -1.769851978446495e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.184216950900000e+02 -5.685000019184372e-06 -7.651413215591348e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184216948900000e+02 -5.485000031058007e-06 -7.382234227534330e-02 PASS
foss-mpi-full: [foss2023a-mpi] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
foss-omp-full: [foss2023a-serial] -3.184217055100000e+02 -1.610499998605519e-05 -2.167563928136634e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -3.184216944700000e+02 -5.064999982096197e-06 -6.816958253157734e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.184216950700000e+02 -5.665000003318710e-06 -7.624495293834065e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.184216950700000e+02 -5.665000003318710e-06 -7.624495293834065e-02 PASS
foss-mpi-min: [foss2022a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss-mpi-min: [foss2023a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -3.184216941000000e+02 -4.695000029641960e-06 -6.318977159679623e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184216945200000e+02 -5.115000021760352e-06 -6.884253057550944e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184216944900000e+02 -5.084999997961859e-06 -6.843876174915019e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.184216910800000e+02 -1.675000021350570e-06 -2.254374187551238e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184216956200000e+02 -6.214999984877068e-06 -8.364737530117183e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184216958900000e+02 -6.485000028533250e-06 -8.728129244324696e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184216936200000e+02 -4.214999989926582e-06 -5.672947496536450e-02 PASS