Match comparison for Hartree energy (match type 30346)

Commits > Commit 94d58911903c32860449c62a795f2d74d19217f9 > Input 07-sic.02-scdm.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.818233000000000e+01 9.090000000000000e-05 1.818234267294118e+01 5.662831618595535e-06 1.818233443500000e+01 1.295500000075833e-05 PASS

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Detailed information

Reference: 18.18233, precision: 0.0000909
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 1.818234356000000e+01 1.355999999930191e-05 1.491749174840694e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 1.818234356000000e+01 1.355999999930191e-05 1.491749174840694e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 1.818234358000000e+01 1.358000000095672e-05 1.493949395044743e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 1.818234739000000e+01 1.739000000000601e-05 1.913091309131574e-01 PASS
foss_min_autotools: [foss2022a-serial] 1.818234408000000e+01 1.407999999969434e-05 1.548954895455923e-01 PASS
foss_min_autotools: [foss2023b-serial] 1.818234408000000e+01 1.407999999969434e-05 1.548954895455923e-01 PASS
foss_min_autotools: [foss2023a-serial] 1.818234408000000e+01 1.407999999969434e-05 1.548954895455923e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 1.818234358000000e+01 1.358000000095672e-05 1.493949395044743e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 1.818234739000000e+01 1.739000000000601e-05 1.913091309131574e-01 PASS
foss_autotools: [foss2022a-serial] 1.818234408000000e+01 1.407999999969434e-05 1.548954895455923e-01 PASS
foss_opt_autotools: [foss2023a-serial] 1.818234739000000e+01 1.739000000000601e-05 1.913091309131574e-01 PASS
foss_autotools: [foss2023a-serial] 1.818234408000000e+01 1.407999999969434e-05 1.548954895455923e-01 PASS
foss_autotools: [foss2023b-serial] 1.818234408000000e+01 1.407999999969434e-05 1.548954895455923e-01 PASS
intel_autotools: [intel2023a-serial] 1.818233530000000e+01 5.299999997987470e-06 5.830583056091827e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 1.818234318000000e+01 1.317999999983499e-05 1.449944994481297e-01 PASS
foss_omp_autotools: [foss2023a-serial] 1.818234591000000e+01 1.590999999834253e-05 1.750275027320410e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 1.818234488000000e+01 1.487999999838507e-05 1.636963696191977e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 1.818234318000000e+01 1.317999999983499e-05 1.449944994481297e-01 PASS
foss_debug_autotools: [foss2023a-serial] 1.818234408000000e+01 1.407999999969434e-05 1.548954895455923e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 1.818234488000000e+01 1.487999999838507e-05 1.636963696191977e-01 PASS
intel_omp_autotools: [intel2023a-serial] 1.818234270000000e+01 1.269999999919946e-05 1.397139713883329e-01 PASS
intel_omp_autotools: [intel2022a-serial] 1.818234270000000e+01 1.269999999919946e-05 1.397139713883329e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 1.818234488000000e+01 1.487999999838507e-05 1.636963696191977e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 1.818234318000000e+01 1.317999999983499e-05 1.449944994481297e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 1.818234318000000e+01 1.317999999983499e-05 1.449944994481297e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 1.818234612000000e+01 1.611999999795444e-05 1.773377337508739e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 1.818232148000000e+01 -8.520000001510653e-06 -9.372937295391257e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 1.818234488000000e+01 1.487999999838507e-05 1.636963696191977e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 1.818234488000000e+01 1.487999999838507e-05 1.636963696191977e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 1.818234371000000e+01 1.371000000105482e-05 1.508250825198550e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 1.818234318000000e+01 1.317999999983499e-05 1.449944994481297e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 1.818234160000000e+01 1.160000000055561e-05 1.276127612822399e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 1.818234457000000e+01 1.457000000115727e-05 1.602860286155915e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 1.818232148000000e+01 -8.520000001510653e-06 -9.372937295391257e-02 PASS