Match comparison for Hartree energy (match type 30235)

Commits > Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 1.800000000000000e-05 3.988936994370769e+03 1.178662992866075e-05 3.988936987790000e+03 1.593999991200690e-05 PASS
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Detailed information

Reference: 3988.9369874000004, precision: 0.000018
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 3.988937002230000e+03 1.482999959989684e-05 8.238888666609354e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 3.988937000530000e+03 1.312999984293128e-05 7.294444357184047e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 3.988937003690000e+03 1.628999962122180e-05 9.049999789567664e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 3.988936974010000e+03 -1.339000027655857e-05 -7.438889042532537e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 3.988936974010000e+03 -1.339000027655857e-05 -7.438889042532537e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 3.988936974010000e+03 -1.339000027655857e-05 -7.438889042532537e-01 PASS
GCI_intel_autotools: [intel2023a-serial] 3.988937002310000e+03 1.490999966335949e-05 8.283333146310825e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -8.638888983922597e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 3.988937003730000e+03 1.632999965295312e-05 9.072222029418400e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 3.988937003560000e+03 1.615999963178183e-05 8.977777573212127e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 3.988936996510000e+03 9.109999609790975e-06 5.061110894328319e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 8.999999813062863e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
GCI_foss_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
GCI_foss_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
GCI_foss_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.822222076152684e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -5.738889083457049e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -5.738889083457049e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 3.988937003660000e+03 1.625999948373646e-05 9.033333046520258e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 3.988937001920000e+03 1.451999969503959e-05 8.066666497244215e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 3.988937003650000e+03 1.624999958949047e-05 9.027777549716929e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 3.988936978890000e+03 -8.510000498063164e-06 -4.727778054479536e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937003580000e+03 1.617999942027382e-05 8.988888566818787e-01 PASS