Match comparison for External energy (match type 30383)

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.378298553000000e+01 6.930000000000000e-07 -5.378298546920000e+01 2.614868269810761e-07 -5.378298572000000e+01 4.400000008786265e-07 PASS

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Detailed information

Reference: -53.782985530000005, precision: 0.000000693
Run Value Difference Relative difference Status
foss-ppc: [foss2022a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-full] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-min] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] -5.378298567000000e+01 -1.399999973727972e-07 -2.020201982291446e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] -5.378298565000000e+01 -1.199999957179898e-07 -1.731601669812263e-01 PASS
foss-serial-full: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
intel_omp_autotools: [intel2022a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
intel_omp_autotools: [intel2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-serial-debug: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-serial-full: [foss2023b-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-opt-full: [foss2023a-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
intel-serial: [intel2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-omp-full: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -5.378298568000000e+01 -1.499999982002009e-07 -2.164502138531038e-01 PASS
foss-mpi-full: [foss2023a-mpi] -5.378298565000000e+01 -1.199999957179898e-07 -1.731601669812263e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -5.378298565000000e+01 -1.199999957179898e-07 -1.731601669812263e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -5.378298611000000e+01 -5.799999982514237e-07 -8.369408344176388e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -5.378298616000000e+01 -6.299999952830149e-07 -9.090909022842928e-01 PASS
foss-serial-min: [foss2023a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-serial-min: [foss2023b-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-serial-min: [foss2022a-serial] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS
foss-mpi-min: [foss2023a-mpi] -5.378298565000000e+01 -1.199999957179898e-07 -1.731601669812263e-01 PASS
foss-mpi-min: [foss2022a-mpi] -5.378298565000000e+01 -1.199999957179898e-07 -1.731601669812263e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -5.378298528000000e+01 2.500000064742380e-07 3.607503700926956e-01 PASS