Match comparison for Total energy (match type 30492)

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184216894050000e+02 7.430000000000000e-05 -3.184216902186666e+02 1.865183775307976e-05 -3.184216636750000e+02 4.183499999044216e-05 PASS

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Detailed information

Reference: -318.421689405, precision: 0.0000743
Run Value Difference Relative difference Status
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: [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_min_autotools: [foss2022a-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: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_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
intel_autotools: [intel2023a-serial] -3.184217039300000e+02 -1.452499998322310e-05 -1.954912514565693e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.184216933300000e+02 -3.924999987248157e-06 -5.282637937076927e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.184216943100000e+02 -4.905000025701156e-06 -6.601615108615284e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.184216955800000e+02 -6.175000009989162e-06 -8.310901763107889e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184216891600000e+02 2.449999669806857e-07 3.297442355056335e-03 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184216952400000e+02 -5.835000024490000e-06 -7.853297475760430e-02 PASS
foss_omp_autotools: [foss2023a-serial] -3.184217055100000e+02 -1.610499998605519e-05 -2.167563928136634e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.184216946900000e+02 -5.284999986088224e-06 -7.113055162972037e-02 PASS
intel_omp_autotools: [intel2023a-serial] -3.184216907200000e+02 -1.315000019985746e-06 -1.769851978446495e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.184216944600000e+02 -5.055000031006784e-06 -6.803499368784366e-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_ppc_autotools: [foss2022a-serial] -3.184216944700000e+02 -5.064999982096197e-06 -6.816958253157734e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184216943800000e+02 -4.975000024387555e-06 -6.695827758260504e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184216953700000e+02 -5.965000013929966e-06 -8.028263814172229e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.184216910800000e+02 -1.675000021350570e-06 -2.254374187551238e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184216922400000e+02 -2.835000032064272e-06 -3.815612425389329e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184216956000000e+02 -6.195000025854824e-06 -8.337819684865173e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184216957000000e+02 -6.294999991496297e-06 -8.472409140641046e-02 PASS