Match comparison for Total energy (match type 30492)

Commits > Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184216894050000e+02 7.430000000000000e-05 -3.184216905570001e+02 1.877909425415797e-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_min_autotools: [foss2023a-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_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: [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_autotools: [foss2023a-serial] -3.184216927000000e+02 -3.294999999070569e-06 -4.434724090269945e-02 PASS
foss_omp_autotools: [foss2023a-serial] -3.184217055100000e+02 -1.610499998605519e-05 -2.167563928136634e-01 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
intel_omp_autotools: [intel2023a-serial] -3.184216907200000e+02 -1.315000019985746e-06 -1.769851978446495e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -3.184216944700000e+02 -5.064999982096197e-06 -6.816958253157734e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.184216957600000e+02 -6.354999982249865e-06 -8.553162829407623e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.184216925200000e+02 -3.115000026809867e-06 -4.192463023970210e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184216946700000e+02 -5.265000027065980e-06 -7.086137317720027e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184216924000000e+02 -2.994999988459313e-06 -4.030955569931780e-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_mpi_min_autotools: [foss2023a-mpi] -3.184216218400000e+02 6.756499999482912e-05 9.093539703207150e-01 PASS
foss-cmake: [foss2022a-mpi, foss-min-mpi] -3.184217034800000e+02 -1.407500002414963e-05 -1.894347244165495e-01 PASS
foss-cmake: [foss2023a-mpi, foss-full-mpi] -3.184216943700000e+02 -4.965000016454724e-06 -6.682368797381862e-02 PASS
foss-cmake: [foss2022a-mpi, foss-full-mpi] -3.184216954800000e+02 -6.074999987504270e-06 -8.176312230826743e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184216920700000e+02 -2.665000010892982e-06 -3.586810243462963e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184216945000000e+02 -5.095000005894690e-06 -6.857335135793660e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184216940900000e+02 -4.685000021709129e-06 -6.305518198800981e-02 PASS
foss-cmake: [foss2023a-mpi, foss-min-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_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184216957800000e+02 -6.374999998115527e-06 -8.580080751164908e-02 PASS