Match comparison for External energy (match type 30383)

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.378298553000000e+01 6.930000000000000e-07 -5.378298547153845e+01 2.238765524697749e-07 -5.378298569500000e+01 4.150000023628309e-07 PASS

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Detailed information

Reference: -53.782985530000005, precision: 0.000000693
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_min_autotools: [foss2023b-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_min_autotools: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_min_autotools: [foss2022a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_autotools: [foss2023b-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_opt_autotools: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_autotools: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_autotools: [foss2022a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
intel_autotools: [intel2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -5.378298565000000e+01 -1.199999957179898e-07 -1.731601669812263e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -5.378298564000000e+01 -1.099999948905861e-07 -1.587301513572671e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -5.378298564000000e+01 -1.099999948905861e-07 -1.587301513572671e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -5.378298568000000e+01 -1.499999982002009e-07 -2.164502138531038e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -5.378298568000000e+01 -1.499999982002009e-07 -2.164502138531038e-01 PASS
foss_omp_autotools: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -5.378298568000000e+01 -1.499999982002009e-07 -2.164502138531038e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -5.378298565000000e+01 -1.199999957179898e-07 -1.731601669812263e-01 PASS
foss_debug_autotools: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -5.378298565000000e+01 -1.199999957179898e-07 -1.731601669812263e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -5.378298566000000e+01 -1.299999965453935e-07 -1.875901826051855e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -5.378298565000000e+01 -1.199999957179898e-07 -1.731601669812263e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -5.378298565000000e+01 -1.199999957179898e-07 -1.731601669812263e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -5.378298611000000e+01 -5.799999982514237e-07 -8.369408344176388e-01 PASS