Match comparison for Hartree energy (match type 30494)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 1.800000000000000e-05 3.988936993969667e+03 1.169921234793944e-05 3.988936987725000e+03 1.587499991728691e-05 PASS
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Detailed information

Reference: 3988.9369874000004, precision: 0.000018
Run Value Difference Relative difference Status
foss_min_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_min_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_min_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_opt_autotools: [foss2023a-serial] 3.988936974010000e+03 -1.339000027655857e-05 -7.438889042532537e-01 PASS
foss_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 3.988936974010000e+03 -1.339000027655857e-05 -7.438889042532537e-01 PASS
intel_autotools: [intel2023a-serial] 3.988937002310000e+03 1.490999966335949e-05 8.283333146310825e-01 PASS
foss_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.988936974010000e+03 -1.339000027655857e-05 -7.438889042532537e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -5.738889083457049e-01 PASS
foss_omp_autotools: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -8.638888983922597e-01 PASS
foss_cmake_mpi_min: [foss2022a-mpi] 3.988937003570000e+03 1.616999952602782e-05 8.983333070015457e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.988937000220000e+03 1.281999948332668e-05 7.122221935181491e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -5.738889083457049e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.988937003340000e+03 1.593999968463322e-05 8.855555380351789e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.988937002470000e+03 1.506999979028478e-05 8.372222105713768e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.988937003560000e+03 1.615999963178183e-05 8.977777573212127e-01 PASS
foss_debug_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
foss_cmake_mpi_min: [foss2023a-mpi] 3.988937003450000e+03 1.604999943083385e-05 8.916666350463249e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.988936974090000e+03 -1.331000021309592e-05 -7.394444562831065e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.988936996510000e+03 9.109999609790975e-06 5.061110894328319e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.988936997200000e+03 9.799999588722130e-06 5.444444215956739e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 8.999999813062863e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.988936976700000e+03 -1.070000053005060e-05 -5.944444738917001e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.988937001740000e+03 1.433999977962230e-05 7.966666544234613e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937000380000e+03 1.297999961025198e-05 7.211110894584433e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 6.383333028578717e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.988937003110000e+03 1.570999984323862e-05 8.727777690688122e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.988937002170000e+03 1.476999977967353e-05 8.205555433151959e-01 PASS