Match comparison for Hartree energy (match type 30102)

Commits > Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.643667351000000e+01 9.860000000000000e-06 4.643667346000000e+01 3.364425885153181e-06 4.643667425000000e+01 6.739999999894053e-06 PASS

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Detailed information

Reference: 46.43667351, precision: 0.00000986
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 4.643667486000000e+01 1.349999998012663e-06 1.369168354982417e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 4.643667759000000e+01 4.080000003625628e-06 4.137931038159866e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 4.643667486000000e+01 1.349999998012663e-06 1.369168354982417e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 4.643666978000000e+01 -3.729999995982780e-06 -3.782961456371988e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 4.643667407000000e+01 5.600000037020436e-07 5.679513222130259e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 4.643667407000000e+01 5.600000037020436e-07 5.679513222130259e-02 PASS
GCI_intel_autotools: [intel2023a-serial] 4.643668099000000e+01 7.480000000725795e-06 7.586206897287824e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 4.643666887000000e+01 -4.640000000222244e-06 -4.705882353166576e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 4.643667429000000e+01 7.800000005886432e-07 7.910750513069403e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 4.643667033000000e+01 -3.180000000213568e-06 -3.225152130034044e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 4.643667530000000e+01 1.789999998891290e-06 1.815415820376561e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 4.643667196000000e+01 -1.550000000349883e-06 -1.572008113945114e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] 4.643666978000000e+01 -3.729999995982780e-06 -3.782961456371988e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] 4.643667407000000e+01 5.600000037020436e-07 5.679513222130259e-02 PASS
GCI_foss_autotools: [foss2022a-serial] 4.643667407000000e+01 5.600000037020436e-07 5.679513222130259e-02 PASS
GCI_foss_autotools: [foss2023a-serial] 4.643666978000000e+01 -3.729999995982780e-06 -3.782961456371988e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] 4.643666978000000e+01 -3.729999995982780e-06 -3.782961456371988e-01 PASS
GCI_foss_autotools: [foss2023b-serial] 4.643666978000000e+01 -3.729999995982780e-06 -3.782961456371988e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 4.643666978000000e+01 -3.729999995982780e-06 -3.782961456371988e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 4.643667486000000e+01 1.349999998012663e-06 1.369168354982417e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 4.643667759000000e+01 4.080000003625628e-06 4.137931038159866e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 4.643667759000000e+01 4.080000003625628e-06 4.137931038159866e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 4.643667486000000e+01 1.349999998012663e-06 1.369168354982417e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 4.643666751000000e+01 -5.999999999062311e-06 -6.085192696817759e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 4.643667759000000e+01 4.080000003625628e-06 4.137931038159866e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 4.643667595000000e+01 2.440000002934539e-06 2.474645033402169e-01 PASS