Match comparison for Exchange energy (orbitals) (match type 30563)

Commits > Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 > Input 18-mgga.02-br89_oep.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.181951000000000e+00 1.090000000000000e-05 -2.181954562500000e+00 1.143937826056806e-06 -2.181955500000000e+00 2.499999999905356e-06 PASS

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Detailed information

Reference: -2.181951, precision: 0.0000109
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -2.181955000000000e+00 -3.999999999670933e-06 -3.669724770340306e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -2.181955000000000e+00 -3.999999999670933e-06 -3.669724770340306e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -2.181955000000000e+00 -3.999999999670933e-06 -3.669724770340306e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -2.181955000000000e+00 -3.999999999670933e-06 -3.669724770340306e-01 PASS
foss-serial-min: [foss2022a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-serial-min: [foss2023b-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-serial-min: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
intel_autotools: [intel2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-serial-full: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-opt-full: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-serial-full: [foss2023b-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-ppc: [foss2022a-serial] -2.181956000000000e+00 -4.999999999810711e-06 -4.587155963129093e-01 PASS
intel_omp_autotools: [intel2023a-serial] -2.181957000000000e+00 -5.999999999950489e-06 -5.504587155917879e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-serial-debug: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
intel_omp_autotools: [intel2022a-serial] -2.181957000000000e+00 -5.999999999950489e-06 -5.504587155917879e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-omp-full: [foss2023a-serial] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-mpi-full: [foss2023a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-mpi-min: [foss2023a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-mpi-min: [foss2022a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -2.181954000000000e+00 -2.999999999975245e-06 -2.752293577958940e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -2.181958000000000e+00 -6.999999999646178e-06 -6.422018348299245e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -2.181957000000000e+00 -5.999999999950489e-06 -5.504587155917879e-01 PASS
valgrind: [foss2023a-serial] -2.181953000000000e+00 -1.999999999835467e-06 -1.834862385170153e-01 PASS