Match comparison for Hartree energy (match type 30359)

Commits > Commit c9606f298ccf4e57d14167459d26815f7508aa3e > Input 02-ACBN0.01-nio.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.788829173000001e+01 1.410000000000000e-05 8.788828942566666e+01 4.770459575091837e-06 8.788828740000000e+01 6.800000001305762e-06 PASS

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Detailed information

Reference: 87.88829173, precision: 0.0000141
Run Value Difference Relative difference Status
intel_autotools: [intel2023a-serial] 8.788829144000000e+01 -2.900000026784255e-07 -2.056737607648408e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] 8.788829169000000e+01 -4.000000330961484e-08 -2.836879667348570e-03 PASS
foss_min_autotools: [foss2023a-serial] 8.788828060000000e+01 -1.113000000430020e-05 -7.893617024326383e-01 PASS
foss_min_autotools: [foss2022a-serial] 8.788829169000000e+01 -4.000000330961484e-08 -2.836879667348570e-03 PASS
foss_cmake: [foss2022a-serial, foss-full] 8.788829285000000e+01 1.119999993193233e-06 7.943262363072570e-02 PASS
foss_min_autotools: [foss2023b-serial] 8.788828060000000e+01 -1.113000000430020e-05 -7.893617024326383e-01 PASS
foss_autotools: [foss2023a-serial] 8.788828060000000e+01 -1.113000000430020e-05 -7.893617024326383e-01 PASS
foss_opt_autotools: [foss2023a-serial] 8.788828060000000e+01 -1.113000000430020e-05 -7.893617024326383e-01 PASS
foss_autotools: [foss2023b-serial] 8.788828060000000e+01 -1.113000000430020e-05 -7.893617024326383e-01 PASS
foss_autotools: [foss2022a-serial] 8.788829169000000e+01 -4.000000330961484e-08 -2.836879667348570e-03 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 8.788829161000000e+01 -1.200000099288445e-07 -8.510639002045709e-03 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 8.788829420000000e+01 2.469999998311323e-06 1.751773048447747e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 8.788829161000000e+01 -1.200000099288445e-07 -8.510639002045709e-03 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 8.788829257000000e+01 8.399999984476381e-07 5.957446797500979e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 8.788829420000000e+01 2.469999998311323e-06 1.751773048447747e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 8.788829078000001e+01 -9.500000004436515e-07 -6.737588655628735e-02 PASS
foss_debug_autotools: [foss2023a-serial] 8.788828060000000e+01 -1.113000000430020e-05 -7.893617024326383e-01 PASS
foss_omp_autotools: [foss2023a-serial] 8.788829110000000e+01 -6.300000023884422e-07 -4.468085123322285e-02 PASS
intel_omp_autotools: [intel2022a-serial] 8.788828562000000e+01 -6.110000001058324e-06 -4.333333334083918e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 8.788829420000000e+01 2.469999998311323e-06 1.751773048447747e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 8.788829420000000e+01 2.469999998311323e-06 1.751773048447747e-01 PASS
intel_omp_autotools: [intel2023a-serial] 8.788829124999999e+01 -4.800000112936686e-07 -3.404255399245877e-02 PASS
foss_ppc_autotools: [foss2022a-serial] 8.788829163000000e+01 -1.000000082740371e-07 -7.092199168371425e-03 PASS
foss_mpi_autotools: [foss2022a-mpi] 8.788829161000000e+01 -1.200000099288445e-07 -8.510639002045709e-03 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 8.788829420000000e+01 2.469999998311323e-06 1.751773048447747e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 8.788829230000000e+01 5.699999974240200e-07 4.042553173220000e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 8.788828862000000e+01 -3.110000008632596e-06 -2.205673764987657e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 8.788828762999999e+01 -4.100000012385863e-06 -2.907801427224016e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 8.788829124000000e+01 -4.900000050156450e-07 -3.475177340536489e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 8.788829124000000e+01 -4.900000050156450e-07 -3.475177340536489e-02 PASS