Match comparison for Hartree energy (match type 29585)

Commits > Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b > Input 07-mgga.05-br89_primitive.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.122754400000000e+01 5.610000000000000e-06 -1.122754400419355e+01 4.934535421439928e-09 -1.122754400500000e+01 5.000000413701855e-09 PASS
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Detailed information

Reference: -11.227544, precision: 0.00000561
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
foss-serial-min: [foss2022a-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2023b-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-full: [foss2023b-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-serial, foss-full] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-serial, foss-min] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2023a-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-serial: [intel2023a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
foss-opt-full: [foss2023a-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-full: [foss2023a-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-debug: [foss2023a-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-ppc: [foss2022a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
intel-omp: [intel2023a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-omp: [intel2022a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-full: [foss2023a-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-omp-full: [foss2023a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
foss-mpi-opt-full: [foss2023a-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-min: [foss2022a-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_mpi_autotools: [intel2023a-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
foss-mpi-debug: [foss2023a-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cuda-serial: [foss2022a-cuda-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
foss-mpi-min: [foss2023a-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-omp-full: [foss2023a-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS