Match comparison for Total energy (match type 30492)

Commits > Commit 81aaf54c0a876807db604366b921af6af05ee8c1 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184216894050000e+02 7.430000000000000e-05 -3.184216911852941e+02 1.834086023898230e-05 -3.184216695450000e+02 4.770499998585365e-05 PASS

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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] -3.184217172500000e+02 -2.784499997687817e-05 -3.747644680602715e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.184216950900000e+02 -5.685000019184372e-06 -7.651413215591348e-02 PASS
foss_min_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
foss_cmake: [foss2022a-serial, foss-full] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
foss_min_autotools: [foss2022a-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_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_opt_autotools: [foss2023a-serial] -3.184217010400000e+02 -1.163500002121509e-05 -1.565948858844561e-01 PASS
foss_autotools: [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_omp_autotools: [foss2023a-serial] -3.184217055100000e+02 -1.610499998605519e-05 -2.167563928136634e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.184216953000000e+02 -5.895000015243568e-06 -7.934051164527009e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184216945100000e+02 -5.105000013827521e-06 -6.870794096672303e-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_min_autotools: [foss2022a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss_debug_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184216951000000e+02 -5.695000027117203e-06 -7.664872176469990e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -3.184216944700000e+02 -5.064999982096197e-06 -6.816958253157734e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.184216990300000e+02 -9.625000018331775e-06 -1.295423959398624e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.184216958600000e+02 -6.455000004734757e-06 -8.687752361688771e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.184216954900000e+02 -6.084999995437101e-06 -8.189771191705385e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.184216956500000e+02 -6.245000008675561e-06 -8.405114412753109e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184216768500000e+02 1.255500001207110e-05 1.689771199471212e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184216950900000e+02 -5.685000019184372e-06 -7.651413215591348e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.184216910800000e+02 -1.675000021350570e-06 -2.254374187551238e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184216950500000e+02 -5.644999987453048e-06 -7.597577372076780e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184216943100000e+02 -4.905000025701156e-06 -6.601615108615284e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184216943400000e+02 -4.934999992656230e-06 -6.641991914745936e-02 PASS