Match comparison for Hartree energy (match type 30346)

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > Input 07-sic.02-scdm.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.818364180000000e+01 1.640000000000000e-05 1.818365148937500e+01 6.165416114000971e-06 1.818364180000000e+01 1.488000000016143e-05 PASS

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Detailed information

Reference: 18.1836418, precision: 0.0000164
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 1.818365506000000e+01 1.325999999934879e-05 8.085365853261459e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 1.818365506000000e+01 1.325999999934879e-05 8.085365853261459e-01 PASS
foss-serial-min: [foss2023a-serial] 1.818365330000000e+01 1.149999999938700e-05 7.012195121577440e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 1.818365428000000e+01 1.247999999876015e-05 7.609756096804969e-01 PASS
foss-serial-min: [foss2022a-serial] 1.818365330000000e+01 1.149999999938700e-05 7.012195121577440e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 1.818365428000000e+01 1.247999999876015e-05 7.609756096804969e-01 PASS
foss-serial-full: [foss2023b-serial] 1.818365330000000e+01 1.149999999938700e-05 7.012195121577440e-01 PASS
foss-serial-min: [foss2023b-serial] 1.818365330000000e+01 1.149999999938700e-05 7.012195121577440e-01 PASS
foss-opt-full: [foss2023a-serial] 1.818365349000000e+01 1.169000000089682e-05 7.128048781034645e-01 PASS
foss-ppc: [foss2022a-serial] 1.818365481000000e+01 1.300999999997998e-05 7.932926829256087e-01 PASS
foss-serial-full: [foss2023a-serial] 1.818365330000000e+01 1.149999999938700e-05 7.012195121577440e-01 PASS
foss-serial-debug: [foss2023a-serial] 1.818365330000000e+01 1.149999999938700e-05 7.012195121577440e-01 PASS
intel_omp_autotools: [intel2023a-serial] 1.818364711000000e+01 5.309999998814874e-06 3.237804877326143e-01 PASS
intel_omp_autotools: [intel2022a-serial] 1.818364711000000e+01 5.309999998814874e-06 3.237804877326143e-01 PASS
foss-omp-full: [foss2023a-serial] 1.818365549000000e+01 1.368999999940002e-05 8.347560975243913e-01 PASS
foss-mpi-full: [foss2023a-mpi] 1.818365406000000e+01 1.225999999832084e-05 7.475609755073681e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 1.818365511000000e+01 1.330999999993310e-05 8.115853658495792e-01 PASS
intel-serial: [intel2023a-serial] 1.818365668000000e+01 1.487999999838507e-05 9.073170730722606e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 1.818365349000000e+01 1.169000000089682e-05 7.128048781034645e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 1.818365349000000e+01 1.169000000089682e-05 7.128048781034645e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] 1.818365114000000e+01 9.339999998303483e-06 5.695121950185051e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 1.818365114000000e+01 9.339999998303483e-06 5.695121950185051e-01 PASS
foss-mpi-debug: [foss2023a-mpi] 1.818365406000000e+01 1.225999999832084e-05 7.475609755073681e-01 PASS
foss-mpi-min: [foss2022a-mpi] 1.818365406000000e+01 1.225999999832084e-05 7.475609755073681e-01 PASS
foss-mpi-min: [foss2023a-mpi] 1.818365406000000e+01 1.225999999832084e-05 7.475609755073681e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 1.818365114000000e+01 9.339999998303483e-06 5.695121950185051e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] 1.818364903000000e+01 7.230000001356984e-06 4.408536586193283e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 1.818365114000000e+01 9.339999998303483e-06 5.695121950185051e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 1.818365114000000e+01 9.339999998303483e-06 5.695121950185051e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 1.818365300000000e+01 1.119999999943389e-05 6.829268292337736e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] 1.818362692000000e+01 -1.488000000193779e-05 -9.073170732888896e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] 1.818363151000000e+01 -1.028999999874713e-05 -6.274390243138497e-01 PASS