Match comparison for Hartree energy (match type 29585)

Commits > Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 > Input 07-mgga.05-br89_primitive.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.122754400000000e+01 5.610000000000000e-06 -1.122754400393939e+01 4.886217221438039e-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-full] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -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_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
foss-serial-min: [foss2022a-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-serial-min: [foss2023b-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_autotools: [foss2023a-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_autotools: [foss2023b-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_autotools: [foss2022a-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-opt-full: [foss2023a-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_autotools: [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
foss-serial-debug: [foss2023a-serial] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_omp_autotools: [intel2022a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
intel_omp_autotools: [intel2023a-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_opt_autotools: [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_autotools: [foss2022a-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_autotools: [foss2023a-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_ppc_autotools: [foss2022a-serial] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
foss_cmake: [foss2023a-mpi, foss-min-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_cuda_autotools: [foss2022a-cuda-mpi] -1.122754401000000e+01 -1.000000082740371e-08 -1.782531341783193e-03 PASS
intel_mpi_autotools: [intel2023a-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-min: [foss2022a-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -1.122754400000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_omp_autotools: [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